4,18-diisocyano-11-[9-(2-phenylquinazolin-4-yl)carbazol-3-yl]-8,14-dioxa-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene-6,16-dicarbonitrile;11-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]-5,17-diisocyano-8,14-dioxa-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene;11-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]-5,17-dimethyl-8,14-dioxa-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene;11-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]-8,14-dioxa-1,5,17-triazapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene;11-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]-8,14-dioxa-1,10,12-triazapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9(21),10,12,15,17,19-nonaene;11-[9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]-5,17-bis(trifluoromethyl)-8,14-dioxa-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene;17-[9-[4-(4-phenylphenyl)quinazolin-2-yl]carbazol-3-yl]-8,14,22-trioxa-1,4,6,10,12-pentazahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15(20),16,18-nonaene;11-[9-(4-phenylquinazolin-2-yl)carbazol-3-yl]-8,14-dioxa-1,5,17-triazapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene

C369H205F6N53O17 — CID 158601325

About 4,18-diisocyano-11-[9-(2-phenylquinazolin-4-yl)carbazol-3-yl]-8,14-dioxa-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene-6,16-dicarbonitrile;11-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]-5,17-diisocyano-8,14-dioxa-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene;11-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]-5,17-dimethyl-8,14-dioxa-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene;11-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]-8,14-dioxa-1,5,17-triazapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene;11-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]-8,14-dioxa-1,10,12-triazapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9(21),10,12,15,17,19-nonaene;11-[9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]-5,17-bis(trifluoromethyl)-8,14-dioxa-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene;17-[9-[4-(4-phenylphenyl)quinazolin-2-yl]carbazol-3-yl]-8,14,22-trioxa-1,4,6,10,12-pentazahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15(20),16,18-nonaene;11-[9-(4-phenylquinazolin-2-yl)carbazol-3-yl]-8,14-dioxa-1,5,17-triazapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene

4,18-diisocyano-11-[9-(2-phenylquinazolin-4-yl)carbazol-3-yl]-8,14-dioxa-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene-6,16-dicarbonitrile;11-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]-5,17-diisocyano-8,14-dioxa-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene;11-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]-5,17-dimethyl-8,14-dioxa-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene;11-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]-8,14-dioxa-1,5,17-triazapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene;11-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]-8,14-dioxa-1,10,12-triazapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9(21),10,12,15,17,19-nonaene;11-[9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]-5,17-bis(trifluoromethyl)-8,14-dioxa-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene;17-[9-[4-(4-phenylphenyl)quinazolin-2-yl]carbazol-3-yl]-8,14,22-trioxa-1,4,6,10,12-pentazahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15(20),16,18-nonaene;11-[9-(4-phenylquinazolin-2-yl)carbazol-3-yl]-8,14-dioxa-1,5,17-triazapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene (PubChem CID 158601325) has the molecular formula C369H205F6N53O17 and a molecular weight of 5767.04 g/mol. Its IUPAC name is 4,18-diisocyano-11-[9-(2-phenylquinazolin-4-yl)carbazol-3-yl]-8,14-dioxa-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene-6,16-dicarbonitrile;11-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]-5,17-diisocyano-8,14-dioxa-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene;11-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]-5,17-dimethyl-8,14-dioxa-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene;11-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]-8,14-dioxa-1,5,17-triazapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene;11-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]-8,14-dioxa-1,10,12-triazapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9(21),10,12,15,17,19-nonaene;11-[9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]-5,17-bis(trifluoromethyl)-8,14-dioxa-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene;17-[9-[4-(4-phenylphenyl)quinazolin-2-yl]carbazol-3-yl]-8,14,22-trioxa-1,4,6,10,12-pentazahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15(20),16,18-nonaene;11-[9-(4-phenylquinazolin-2-yl)carbazol-3-yl]-8,14-dioxa-1,5,17-triazapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene.

Molecular Properties

• Compound Name: 4,18-diisocyano-11-[9-(2-phenylquinazolin-4-yl)carbazol-3-yl]-8,14-dioxa-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene-6,16-dicarbonitrile;11-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]-5,17-diisocyano-8,14-dioxa-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene;11-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]-5,17-dimethyl-8,14-dioxa-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene;11-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]-8,14-dioxa-1,5,17-triazapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene;11-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]-8,14-dioxa-1,10,12-triazapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9(21),10,12,15,17,19-nonaene;11-[9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]-5,17-bis(trifluoromethyl)-8,14-dioxa-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene;17-[9-[4-(4-phenylphenyl)quinazolin-2-yl]carbazol-3-yl]-8,14,22-trioxa-1,4,6,10,12-pentazahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15(20),16,18-nonaene;11-[9-(4-phenylquinazolin-2-yl)carbazol-3-yl]-8,14-dioxa-1,5,17-triazapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene
• PubChem CID: 158601325
• Molecular Formula: C369H205F6N53O17
• Molecular Weight: 5767.04 g/mol
• Exact Mass: 5762.67
• IUPAC Name: 4,18-diisocyano-11-[9-(2-phenylquinazolin-4-yl)carbazol-3-yl]-8,14-dioxa-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene-6,16-dicarbonitrile;11-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]-5,17-diisocyano-8,14-dioxa-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene;11-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]-5,17-dimethyl-8,14-dioxa-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene;11-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]-8,14-dioxa-1,5,17-triazapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene;11-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]-8,14-dioxa-1,10,12-triazapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9(21),10,12,15,17,19-nonaene;11-[9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]-5,17-bis(trifluoromethyl)-8,14-dioxa-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene;17-[9-[4-(4-phenylphenyl)quinazolin-2-yl]carbazol-3-yl]-8,14,22-trioxa-1,4,6,10,12-pentazahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15(20),16,18-nonaene;11-[9-(4-phenylquinazolin-2-yl)carbazol-3-yl]-8,14-dioxa-1,5,17-triazapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene
• SMILES: Cc1ccc2c(c1)Oc1cc(-c3ccc4c(c3)c3ccccc3n4-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)cc3c1N2c1ccc(C)cc1O3.FC(F)(F)c1ccc2c(c1)Oc1cc(-c3ccc4c(c3)c3ccccc3n4-c3cccc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)c3)cc3c1N2c1ccc(C(F)(F)F)cc1O3.[C-]#[N+]c1cc(C#N)c2c(c1)N1c3cc([N+]#[C-])cc(C#N)c3Oc3cc(-c4ccc5c(c4)c4ccccc4n5-c4nc(-c5ccccc5)nc5ccccc45)cc(c31)O2.[C-]#[N+]c1ccc2c(c1)Oc1cc(-c3ccc4c(c3)c3ccccc3n4-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)cc3c1N2c1ccc([N+]#[C-])cc1O3.c1ccc(-c2ccc(-c3nc(-n4c5ccccc5c5cc(-c6cc7c8c(c6)Oc6ncnc9c6N8c6c(ncnc6O9)O7)ccc54)nc4ccccc34)cc2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-n3c4ccccc4c4cc(-c5cc6c7c(c5)Oc5cnccc5N7c5ccncc5O6)ccc43)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-n3c4ccccc4c4cc(-c5nc6c7c(n5)Oc5ccccc5N7c5ccccc5O6)ccc43)n2)cc1.c1ccc(-c2nc(-n3c4ccccc4c4cc(-c5cc6c7c(c5)Oc5cnccc5N7c5ccncc5O6)ccc43)nc3ccccc23)cc1
• InChI: InChI=1S/C53H29F6N5O2.C48H22N8O2.C47H25N7O2.C47H31N5O2.C46H24N8O3.2C43H25N7O2.C42H24N6O2/c54-52(55,56)35-19-22-42-44(28-35)65-46-26-34(27-47-48(46)64(42)43-23-20-36(53(57,58)59)29-45(43)66-47)32-18-21-41-39(25-32)38-16-7-8-17-40(38)63(41)37-15-9-14-33(24-37)51-61-49(30-10-3-1-4-11-30)60-50(62-51)31-12-5-2-6-13-31;1-51-32-18-30(25-49)45-40(23-32)55-41-24-33(52-2)19-31(26-50)46(41)58-43-22-29(21-42(57-45)44(43)55)28-16-17-39-36(20-28)34-12-7-9-15-38(34)56(39)48-35-13-6-8-14-37(35)53-47(54-48)27-10-4-3-5-11-27;1-48-32-18-21-38-40(26-32)55-42-24-31(25-43-44(42)53(38)39-22-19-33(49-2)27-41(39)56-43)30-17-20-37-35(23-30)34-15-9-10-16-36(34)54(37)47-51-45(28-11-5-3-6-12-28)50-46(52-47)29-13-7-4-8-14-29;1-28-17-20-38-40(23-28)53-42-26-33(27-43-44(42)51(38)39-21-18-29(2)24-41(39)54-43)32-19-22-37-35(25-32)34-15-9-10-16-36(34)52(37)47-49-45(30-11-5-3-6-12-30)48-46(50-47)31-13-7-4-8-14-31;1-2-8-25(9-3-1)26-14-16-27(17-15-26)38-31-11-4-6-12-33(31)51-46(52-38)53-34-13-7-5-10-30(34)32-20-28(18-19-35(32)53)29-21-36-39-37(22-29)56-43-41-45(50-24-48-43)57-44-40(54(39)41)42(55-36)47-23-49-44;1-3-13-26(14-4-1)38-44-39(27-15-5-2-6-16-27)48-43(47-38)50-31-18-8-7-17-29(31)30-25-28(23-24-32(30)50)40-45-41-37-42(46-40)52-36-22-12-10-20-34(36)49(37)33-19-9-11-21-35(33)51-41;1-3-9-26(10-4-1)41-46-42(27-11-5-2-6-12-27)48-43(47-41)50-32-14-8-7-13-30(32)31-21-28(15-16-33(31)50)29-22-36-40-37(23-29)52-39-25-45-20-18-35(39)49(40)34-17-19-44-24-38(34)51-36;1-2-8-25(9-3-1)40-29-11-4-6-12-31(29)45-42(46-40)48-32-13-7-5-10-28(32)30-20-26(14-15-33(30)48)27-21-36-41-37(22-27)50-39-24-44-19-17-35(39)47(41)34-16-18-43-23-38(34)49-36/h1-29H;3-24H;3-27H;3-27H,1-2H3;1-24H;2*1-25H;1-24H
• InChIKey: HVRCPNJGEBBUTL-UHFFFAOYSA-N
• XLogP: 95.47
• TPSA: 686.88 Ų
• H-Bond Acceptors: 66
• Rotatable Bonds: 31
• Heavy Atoms: 445
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	5767.04
LogP ≤ 5	95.47
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	66

Frequently Asked Questions

What is the IUPAC name of 4,18-diisocyano-11-[9-(2-phenylquinazolin-4-yl)carbazol-3-yl]-8,14-dioxa-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene-6,16-dicarbonitrile;11-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]-5,17-diisocyano-8,14-dioxa-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene;11-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]-5,17-dimethyl-8,14-dioxa-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene;11-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]-8,14-dioxa-1,5,17-triazapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene;11-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]-8,14-dioxa-1,10,12-triazapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9(21),10,12,15,17,19-nonaene;11-[9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]-5,17-bis(trifluoromethyl)-8,14-dioxa-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene;17-[9-[4-(4-phenylphenyl)quinazolin-2-yl]carbazol-3-yl]-8,14,22-trioxa-1,4,6,10,12-pentazahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15(20),16,18-nonaene;11-[9-(4-phenylquinazolin-2-yl)carbazol-3-yl]-8,14-dioxa-1,5,17-triazapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene?

The IUPAC name of 4,18-diisocyano-11-[9-(2-phenylquinazolin-4-yl)carbazol-3-yl]-8,14-dioxa-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene-6,16-dicarbonitrile;11-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]-5,17-diisocyano-8,14-dioxa-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene;11-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]-5,17-dimethyl-8,14-dioxa-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene;11-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]-8,14-dioxa-1,5,17-triazapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene;11-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]-8,14-dioxa-1,10,12-triazapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9(21),10,12,15,17,19-nonaene;11-[9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]-5,17-bis(trifluoromethyl)-8,14-dioxa-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene;17-[9-[4-(4-phenylphenyl)quinazolin-2-yl]carbazol-3-yl]-8,14,22-trioxa-1,4,6,10,12-pentazahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15(20),16,18-nonaene;11-[9-(4-phenylquinazolin-2-yl)carbazol-3-yl]-8,14-dioxa-1,5,17-triazapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene (CID 158601325) is 4,18-diisocyano-11-[9-(2-phenylquinazolin-4-yl)carbazol-3-yl]-8,14-dioxa-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene-6,16-dicarbonitrile;11-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]-5,17-diisocyano-8,14-dioxa-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene;11-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]-5,17-dimethyl-8,14-dioxa-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene;11-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]-8,14-dioxa-1,5,17-triazapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene;11-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]-8,14-dioxa-1,10,12-triazapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9(21),10,12,15,17,19-nonaene;11-[9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]-5,17-bis(trifluoromethyl)-8,14-dioxa-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene;17-[9-[4-(4-phenylphenyl)quinazolin-2-yl]carbazol-3-yl]-8,14,22-trioxa-1,4,6,10,12-pentazahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15(20),16,18-nonaene;11-[9-(4-phenylquinazolin-2-yl)carbazol-3-yl]-8,14-dioxa-1,5,17-triazapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene.

What is the SMILES notation for 4,18-diisocyano-11-[9-(2-phenylquinazolin-4-yl)carbazol-3-yl]-8,14-dioxa-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene-6,16-dicarbonitrile;11-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]-5,17-diisocyano-8,14-dioxa-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene;11-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]-5,17-dimethyl-8,14-dioxa-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene;11-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]-8,14-dioxa-1,5,17-triazapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene;11-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]-8,14-dioxa-1,10,12-triazapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9(21),10,12,15,17,19-nonaene;11-[9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]-5,17-bis(trifluoromethyl)-8,14-dioxa-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene;17-[9-[4-(4-phenylphenyl)quinazolin-2-yl]carbazol-3-yl]-8,14,22-trioxa-1,4,6,10,12-pentazahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15(20),16,18-nonaene;11-[9-(4-phenylquinazolin-2-yl)carbazol-3-yl]-8,14-dioxa-1,5,17-triazapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene?

The canonical SMILES for 4,18-diisocyano-11-[9-(2-phenylquinazolin-4-yl)carbazol-3-yl]-8,14-dioxa-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene-6,16-dicarbonitrile;11-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]-5,17-diisocyano-8,14-dioxa-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene;11-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]-5,17-dimethyl-8,14-dioxa-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene;11-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]-8,14-dioxa-1,5,17-triazapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene;11-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]-8,14-dioxa-1,10,12-triazapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9(21),10,12,15,17,19-nonaene;11-[9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]-5,17-bis(trifluoromethyl)-8,14-dioxa-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene;17-[9-[4-(4-phenylphenyl)quinazolin-2-yl]carbazol-3-yl]-8,14,22-trioxa-1,4,6,10,12-pentazahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15(20),16,18-nonaene;11-[9-(4-phenylquinazolin-2-yl)carbazol-3-yl]-8,14-dioxa-1,5,17-triazapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene is Cc1ccc2c(c1)Oc1cc(-c3ccc4c(c3)c3ccccc3n4-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)cc3c1N2c1ccc(C)cc1O3.FC(F)(F)c1ccc2c(c1)Oc1cc(-c3ccc4c(c3)c3ccccc3n4-c3cccc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)c3)cc3c1N2c1ccc(C(F)(F)F)cc1O3.[C-]#[N+]c1cc(C#N)c2c(c1)N1c3cc([N+]#[C-])cc(C#N)c3Oc3cc(-c4ccc5c(c4)c4ccccc4n5-c4nc(-c5ccccc5)nc5ccccc45)cc(c31)O2.[C-]#[N+]c1ccc2c(c1)Oc1cc(-c3ccc4c(c3)c3ccccc3n4-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)cc3c1N2c1ccc([N+]#[C-])cc1O3.c1ccc(-c2ccc(-c3nc(-n4c5ccccc5c5cc(-c6cc7c8c(c6)Oc6ncnc9c6N8c6c(ncnc6O9)O7)ccc54)nc4ccccc34)cc2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-n3c4ccccc4c4cc(-c5cc6c7c(c5)Oc5cnccc5N7c5ccncc5O6)ccc43)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-n3c4ccccc4c4cc(-c5nc6c7c(n5)Oc5ccccc5N7c5ccccc5O6)ccc43)n2)cc1.c1ccc(-c2nc(-n3c4ccccc4c4cc(-c5cc6c7c(c5)Oc5cnccc5N7c5ccncc5O6)ccc43)nc3ccccc23)cc1.

What is the InChIKey of 4,18-diisocyano-11-[9-(2-phenylquinazolin-4-yl)carbazol-3-yl]-8,14-dioxa-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene-6,16-dicarbonitrile;11-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]-5,17-diisocyano-8,14-dioxa-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene;11-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]-5,17-dimethyl-8,14-dioxa-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene;11-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]-8,14-dioxa-1,5,17-triazapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene;11-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]-8,14-dioxa-1,10,12-triazapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9(21),10,12,15,17,19-nonaene;11-[9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]-5,17-bis(trifluoromethyl)-8,14-dioxa-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene;17-[9-[4-(4-phenylphenyl)quinazolin-2-yl]carbazol-3-yl]-8,14,22-trioxa-1,4,6,10,12-pentazahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15(20),16,18-nonaene;11-[9-(4-phenylquinazolin-2-yl)carbazol-3-yl]-8,14-dioxa-1,5,17-triazapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene?

The InChIKey is HVRCPNJGEBBUTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H29F6N5O2.C48H22N8O2.C47H25N7O2.C47H31N5O2.C46H24N8O3.2C43H25N7O2.C42H24N6O2/c54-52(55,56)35-19-22-42-44(28-35)65-46-26-34(27-47-48(46)64(42)43-23-20-36(53(57,58)59)29-45(43)66-47)32-18-21-41-39(25-32)38-16-7-8-17-40(38)63(41)37-15-9-14-33(24-37)51-61-49(30-10-3-1-4-11-30)60-50(62-51)31-12-5-2-6-13-31;1-51-32-18-30(25-49)45-40(23-32)55-41-24-33(52-2)19-31(26-50)46(41)58-43-22-29(21-42(57-45)44(43)55)28-16-17-39-36(20-28)34-12-7-9-15-38(34)56(39)48-35-13-6-8-14-37(35)53-47(54-48)27-10-4-3-5-11-27;1-48-32-18-21-38-40(26-32)55-42-24-31(25-43-44(42)53(38)39-22-19-33(49-2)27-41(39)56-43)30-17-20-37-35(23-30)34-15-9-10-16-36(34)54(37)47-51-45(28-11-5-3-6-12-28)50-46(52-47)29-13-7-4-8-14-29;1-28-17-20-38-40(23-28)53-42-26-33(27-43-44(42)51(38)39-21-18-29(2)24-41(39)54-43)32-19-22-37-35(25-32)34-15-9-10-16-36(34)52(37)47-49-45(30-11-5-3-6-12-30)48-46(50-47)31-13-7-4-8-14-31;1-2-8-25(9-3-1)26-14-16-27(17-15-26)38-31-11-4-6-12-33(31)51-46(52-38)53-34-13-7-5-10-30(34)32-20-28(18-19-35(32)53)29-21-36-39-37(22-29)56-43-41-45(50-24-48-43)57-44-40(54(39)41)42(55-36)47-23-49-44;1-3-13-26(14-4-1)38-44-39(27-15-5-2-6-16-27)48-43(47-38)50-31-18-8-7-17-29(31)30-25-28(23-24-32(30)50)40-45-41-37-42(46-40)52-36-22-12-10-20-34(36)49(37)33-19-9-11-21-35(33)51-41;1-3-9-26(10-4-1)41-46-42(27-11-5-2-6-12-27)48-43(47-41)50-32-14-8-7-13-30(32)31-21-28(15-16-33(31)50)29-22-36-40-37(23-29)52-39-25-45-20-18-35(39)49(40)34-17-19-44-24-38(34)51-36;1-2-8-25(9-3-1)40-29-11-4-6-12-31(29)45-42(46-40)48-32-13-7-5-10-28(32)30-20-26(14-15-33(30)48)27-21-36-41-37(22-27)50-39-24-44-19-17-35(39)47(41)34-16-18-43-23-38(34)49-36/h1-29H;3-24H;3-27H;3-27H,1-2H3;1-24H;2*1-25H;1-24H.

What are the key properties of 4,18-diisocyano-11-[9-(2-phenylquinazolin-4-yl)carbazol-3-yl]-8,14-dioxa-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene-6,16-dicarbonitrile;11-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]-5,17-diisocyano-8,14-dioxa-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene;11-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]-5,17-dimethyl-8,14-dioxa-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene;11-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]-8,14-dioxa-1,5,17-triazapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene;11-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]-8,14-dioxa-1,10,12-triazapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9(21),10,12,15,17,19-nonaene;11-[9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]-5,17-bis(trifluoromethyl)-8,14-dioxa-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene;17-[9-[4-(4-phenylphenyl)quinazolin-2-yl]carbazol-3-yl]-8,14,22-trioxa-1,4,6,10,12-pentazahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15(20),16,18-nonaene;11-[9-(4-phenylquinazolin-2-yl)carbazol-3-yl]-8,14-dioxa-1,5,17-triazapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene?

4,18-diisocyano-11-[9-(2-phenylquinazolin-4-yl)carbazol-3-yl]-8,14-dioxa-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene-6,16-dicarbonitrile;11-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]-5,17-diisocyano-8,14-dioxa-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene;11-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]-5,17-dimethyl-8,14-dioxa-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene;11-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]-8,14-dioxa-1,5,17-triazapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene;11-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]-8,14-dioxa-1,10,12-triazapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9(21),10,12,15,17,19-nonaene;11-[9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]-5,17-bis(trifluoromethyl)-8,14-dioxa-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene;17-[9-[4-(4-phenylphenyl)quinazolin-2-yl]carbazol-3-yl]-8,14,22-trioxa-1,4,6,10,12-pentazahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15(20),16,18-nonaene;11-[9-(4-phenylquinazolin-2-yl)carbazol-3-yl]-8,14-dioxa-1,5,17-triazapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene has a molecular weight of 5767.04 g/mol, XLogP of 95.47, 31 rotatable bonds, 0 hydrogen bond donors, and 66 hydrogen bond acceptors.

Where does this data come from?

All data for 4,18-diisocyano-11-[9-(2-phenylquinazolin-4-yl)carbazol-3-yl]-8,14-dioxa-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene-6,16-dicarbonitrile;11-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]-5,17-diisocyano-8,14-dioxa-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene;11-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]-5,17-dimethyl-8,14-dioxa-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene;11-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]-8,14-dioxa-1,5,17-triazapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene;11-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]-8,14-dioxa-1,10,12-triazapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9(21),10,12,15,17,19-nonaene;11-[9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]-5,17-bis(trifluoromethyl)-8,14-dioxa-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene;17-[9-[4-(4-phenylphenyl)quinazolin-2-yl]carbazol-3-yl]-8,14,22-trioxa-1,4,6,10,12-pentazahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15(20),16,18-nonaene;11-[9-(4-phenylquinazolin-2-yl)carbazol-3-yl]-8,14-dioxa-1,5,17-triazapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene is sourced from PubChem (CID 158601325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).