9,14-bis[4-(3-phenylquinoxalin-2-yl)phenyl]-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;9,14-bis(3-quinazolin-2-ylphenyl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;9-(4,6-diphenyl-1,3,5-triazin-2-yl)-14-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;9-(4,6-diphenyl-1,3,5-triazin-2-yl)-14-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;9-(3-phenylquinoxalin-2-yl)-14-[4-(3-phenylquinoxalin-2-yl)phenyl]-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;9-(3-quinazolin-2-ylphenyl)-14-(4-quinazolin-2-ylphenyl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene

C310H192N40 — CID 161260479

IUPAC9,14-bis[4-(3-phenylquinoxalin-2-yl)phenyl]-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;9,14-bis(3-quinazolin-2-ylphenyl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;9-(4,6-diphenyl-1,3,5-triazin-2-yl)-14-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;9-(4,6-diphenyl-1,3,5-triazin-2-yl)-14-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;9-(3-phenylquinoxalin-2-yl)-14-[4-(3-phenylquinoxalin-2-yl)phenyl]-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;9-(3-quinazolin-2-ylphenyl)-14-(4-quinazolin-2-ylphenyl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
SMILESc1cc(-c2ncc3ccccc3n2)cc(-n2c3ccccc3c3c4c5ccccc5n(-c5ccc(-c6ncc7ccccc7n6)cc5)c4ccc32)c1.c1cc(-c2ncc3ccccc3n2)cc(-n2c3ccccc3c3c4c5ccccc5n(-c5cccc(-c6ncc7ccccc7n6)c5)c4ccc32)c1.c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-n4c5ccccc5c5c6c7ccccc7n(-c7nc(-c8ccccc8)nc(-c8ccccc8)n7)c6ccc54)cc3)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc(-n4c5ccccc5c5c6c7ccccc7n(-c7nc(-c8ccccc8)nc(-c8ccccc8)n7)c6ccc54)c3)n2)cc1.c1ccc(-c2nc3ccccc3nc2-c2ccc(-n3c4ccccc4c4c5c6ccccc6n(-c6ccc(-c7nc8ccccc8nc7-c7ccccc7)cc6)c5ccc43)cc2)cc1.c1ccc(-c2nc3ccccc3nc2-c2ccc(-n3c4ccccc4c4c5c6ccccc6n(-c6nc7ccccc7nc6-c6ccccc6)c5ccc43)cc2)cc1
InChIInChI=1S/C58H36N6.2C54H34N8.C52H32N6.2C46H28N6/c1-3-15-37(16-4-1)55-57(61-47-23-11-9-21-45(47)59-55)39-27-31-41(32-28-39)63-49-25-13-7-19-43(49)53-51(63)35-36-52-54(53)44-20-8-14-26-50(44)64(52)42-33-29-40(30-34-42)58-56(38-17-5-2-6-18-38)60-46-22-10-12-24-48(46)62-58;1-5-18-35(19-6-1)49-55-50(36-20-7-2-8-21-36)57-53(56-49)39-26-17-27-40(34-39)61-43-30-15-13-28-41(43)47-45(61)32-33-46-48(47)42-29-14-16-31-44(42)62(46)54-59-51(37-22-9-3-10-23-37)58-52(60-54)38-24-11-4-12-25-38;1-5-17-35(18-6-1)49-55-50(36-19-7-2-8-20-36)57-51(56-49)39-29-31-40(32-30-39)61-43-27-15-13-25-41(43)47-45(61)33-34-46-48(47)42-26-14-16-28-44(42)62(46)54-59-52(37-21-9-3-10-22-37)58-53(60-54)38-23-11-4-12-24-38;1-3-15-33(16-4-1)49-50(54-40-22-10-9-21-39(40)53-49)35-27-29-36(30-28-35)57-43-25-13-7-19-37(43)47-45(57)31-32-46-48(47)38-20-8-14-26-44(38)58(46)52-51(34-17-5-2-6-18-34)55-41-23-11-12-24-42(41)56-52;1-5-19-37-31(11-1)27-47-45(49-37)29-13-9-15-33(25-29)51-39-21-7-3-17-35(39)43-41(51)23-24-42-44(43)36-18-4-8-22-40(36)52(42)34-16-10-14-30(26-34)46-48-28-32-12-2-6-20-38(32)50-46;1-5-16-37-31(10-1)27-47-45(49-37)29-20-22-33(23-21-29)51-39-18-7-3-14-35(39)43-41(51)24-25-42-44(43)36-15-4-8-19-40(36)52(42)34-13-9-12-30(26-34)46-48-28-32-11-2-6-17-38(32)50-46/h1-36H;2*1-34H;1-32H;2*1-28H
InChIKeyVCMFRRMHWFLKHC-UHFFFAOYSA-N
MW4477.23 g/mol
LogP74.58
Rot. Bonds33

About 9,14-bis[4-(3-phenylquinoxalin-2-yl)phenyl]-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;9,14-bis(3-quinazolin-2-ylphenyl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;9-(4,6-diphenyl-1,3,5-triazin-2-yl)-14-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;9-(4,6-diphenyl-1,3,5-triazin-2-yl)-14-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;9-(3-phenylquinoxalin-2-yl)-14-[4-(3-phenylquinoxalin-2-yl)phenyl]-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;9-(3-quinazolin-2-ylphenyl)-14-(4-quinazolin-2-ylphenyl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene

9,14-bis[4-(3-phenylquinoxalin-2-yl)phenyl]-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;9,14-bis(3-quinazolin-2-ylphenyl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;9-(4,6-diphenyl-1,3,5-triazin-2-yl)-14-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;9-(4,6-diphenyl-1,3,5-triazin-2-yl)-14-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;9-(3-phenylquinoxalin-2-yl)-14-[4-(3-phenylquinoxalin-2-yl)phenyl]-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;9-(3-quinazolin-2-ylphenyl)-14-(4-quinazolin-2-ylphenyl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene (PubChem CID 161260479) has the molecular formula C310H192N40 and a molecular weight of 4477.23 g/mol. Its IUPAC name is 9,14-bis[4-(3-phenylquinoxalin-2-yl)phenyl]-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;9,14-bis(3-quinazolin-2-ylphenyl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;9-(4,6-diphenyl-1,3,5-triazin-2-yl)-14-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;9-(4,6-diphenyl-1,3,5-triazin-2-yl)-14-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;9-(3-phenylquinoxalin-2-yl)-14-[4-(3-phenylquinoxalin-2-yl)phenyl]-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;9-(3-quinazolin-2-ylphenyl)-14-(4-quinazolin-2-ylphenyl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene.

Molecular Properties

Compound Name9,14-bis[4-(3-phenylquinoxalin-2-yl)phenyl]-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;9,14-bis(3-quinazolin-2-ylphenyl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;9-(4,6-diphenyl-1,3,5-triazin-2-yl)-14-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;9-(4,6-diphenyl-1,3,5-triazin-2-yl)-14-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;9-(3-phenylquinoxalin-2-yl)-14-[4-(3-phenylquinoxalin-2-yl)phenyl]-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;9-(3-quinazolin-2-ylphenyl)-14-(4-quinazolin-2-ylphenyl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
PubChem CID161260479
Molecular FormulaC310H192N40
Molecular Weight4477.23 g/mol
Exact Mass4473.63
IUPAC Name9,14-bis[4-(3-phenylquinoxalin-2-yl)phenyl]-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;9,14-bis(3-quinazolin-2-ylphenyl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;9-(4,6-diphenyl-1,3,5-triazin-2-yl)-14-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;9-(4,6-diphenyl-1,3,5-triazin-2-yl)-14-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;9-(3-phenylquinoxalin-2-yl)-14-[4-(3-phenylquinoxalin-2-yl)phenyl]-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;9-(3-quinazolin-2-ylphenyl)-14-(4-quinazolin-2-ylphenyl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
SMILESc1cc(-c2ncc3ccccc3n2)cc(-n2c3ccccc3c3c4c5ccccc5n(-c5ccc(-c6ncc7ccccc7n6)cc5)c4ccc32)c1.c1cc(-c2ncc3ccccc3n2)cc(-n2c3ccccc3c3c4c5ccccc5n(-c5cccc(-c6ncc7ccccc7n6)c5)c4ccc32)c1.c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-n4c5ccccc5c5c6c7ccccc7n(-c7nc(-c8ccccc8)nc(-c8ccccc8)n7)c6ccc54)cc3)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc(-n4c5ccccc5c5c6c7ccccc7n(-c7nc(-c8ccccc8)nc(-c8ccccc8)n7)c6ccc54)c3)n2)cc1.c1ccc(-c2nc3ccccc3nc2-c2ccc(-n3c4ccccc4c4c5c6ccccc6n(-c6ccc(-c7nc8ccccc8nc7-c7ccccc7)cc6)c5ccc43)cc2)cc1.c1ccc(-c2nc3ccccc3nc2-c2ccc(-n3c4ccccc4c4c5c6ccccc6n(-c6nc7ccccc7nc6-c6ccccc6)c5ccc43)cc2)cc1
InChIInChI=1S/C58H36N6.2C54H34N8.C52H32N6.2C46H28N6/c1-3-15-37(16-4-1)55-57(61-47-23-11-9-21-45(47)59-55)39-27-31-41(32-28-39)63-49-25-13-7-19-43(49)53-51(63)35-36-52-54(53)44-20-8-14-26-50(44)64(52)42-33-29-40(30-34-42)58-56(38-17-5-2-6-18-38)60-46-22-10-12-24-48(46)62-58;1-5-18-35(19-6-1)49-55-50(36-20-7-2-8-21-36)57-53(56-49)39-26-17-27-40(34-39)61-43-30-15-13-28-41(43)47-45(61)32-33-46-48(47)42-29-14-16-31-44(42)62(46)54-59-51(37-22-9-3-10-23-37)58-52(60-54)38-24-11-4-12-25-38;1-5-17-35(18-6-1)49-55-50(36-19-7-2-8-20-36)57-51(56-49)39-29-31-40(32-30-39)61-43-27-15-13-25-41(43)47-45(61)33-34-46-48(47)42-26-14-16-28-44(42)62(46)54-59-52(37-21-9-3-10-22-37)58-53(60-54)38-23-11-4-12-24-38;1-3-15-33(16-4-1)49-50(54-40-22-10-9-21-39(40)53-49)35-27-29-36(30-28-35)57-43-25-13-7-19-37(43)47-45(57)31-32-46-48(47)38-20-8-14-26-44(38)58(46)52-51(34-17-5-2-6-18-34)55-41-23-11-12-24-42(41)56-52;1-5-19-37-31(11-1)27-47-45(49-37)29-13-9-15-33(25-29)51-39-21-7-3-17-35(39)43-41(51)23-24-42-44(43)36-18-4-8-22-40(36)52(42)34-16-10-14-30(26-34)46-48-28-32-12-2-6-20-38(32)50-46;1-5-16-37-31(10-1)27-47-45(49-37)29-20-22-33(23-21-29)51-39-18-7-3-14-35(39)43-41(51)24-25-42-44(43)36-15-4-8-19-40(36)52(42)34-13-9-12-30(26-34)46-48-28-32-11-2-6-17-38(32)50-46/h1-36H;2*1-34H;1-32H;2*1-28H
InChIKeyVCMFRRMHWFLKHC-UHFFFAOYSA-N
XLogP74.58
TPSA420.08 Ų
H-Bond Donors
H-Bond Acceptors40
Rotatable Bonds33
Heavy Atoms350
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5004477.23
LogP ≤ 574.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1040

Analyze 9,14-bis[4-(3-phenylquinoxalin-2-yl)phenyl]-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;9,14-bis(3-quinazolin-2-ylphenyl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;9-(4,6-diphenyl-1,3,5-triazin-2-yl)-14-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;9-(4,6-diphenyl-1,3,5-triazin-2-yl)-14-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;9-(3-phenylquinoxalin-2-yl)-14-[4-(3-phenylquinoxalin-2-yl)phenyl]-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;9-(3-quinazolin-2-ylphenyl)-14-(4-quinazolin-2-ylphenyl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene with MolForge

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Related Compounds

30-[3-(4-phenylquinazolin-2-yl)phenyl]-1,30-diazaoctacyclo[14.12.1.121,24.02,11.05,10.012,29.017,22.023,28]triaconta-2(11),3,5,7,9,12,14,16(29),17(22),18,20,23,25,27-tetradecaene;30-(3-phenylquinoxalin-2-yl)-1,30-diazaoctacyclo[14.12.1.121,24.02,11.05,10.012,29.017,22.023,28]triaconta-2(11),3,5,7,9,12,14,16(29),17(22),18,20,23(28),24,26-tetradecaene;30-[4-(3-phenylquinoxalin-2-yl)phenyl]-1,30-diazaoctacyclo[14.12.1.121,24.02,11.05,10.012,29.017,22.023,28]triaconta-2(11),3,5,7,9,12,14,16(29),17(22),18,20,23,25,27-tetradecaene
CID 161131929
9-(4,6-diphenylpyrimidin-2-yl)-14-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;9-(4,6-diphenylpyrimidin-2-yl)-14-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;9-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]-14-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;9-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-14-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;9-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]-14-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;9-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-14-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
CID 159568405
9-[4,6-bis(3-phenylphenyl)-1,3,5-triazin-2-yl]-14-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;9-(4-phenylphenyl)-14-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;9-phenyl-14-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
CID 160744147
9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-14-[4-(4-phenylphenyl)quinazolin-2-yl]-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
CID 134509708
12-(4-phenylphenyl)-20-[3-(4-phenylphenyl)quinoxalin-2-yl]-12,20-diazapentacyclo[15.2.1.05,19.06,11.013,18]icosa-1,3,5(19),6,8,10,13(18),14,16-nonaene
CID 164807793
9-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]-14-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;9-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]-14-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;9-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-14-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
CID 158955537
14-(4-phenylphenyl)-9-[3-(4-phenylquinazolin-2-yl)phenyl]-9,14-diazahexacyclo[11.11.0.02,10.03,8.015,24.016,21]tetracosa-1(13),2(10),3,5,7,11,15(24),16,18,20,22-undecaene
CID 135165955
9-(4,6-diphenyl-1,3,5-triazin-2-yl)-14-[3-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
CID 169037238
9-[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]-14-(3-phenylphenyl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
CID 156554565
9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-14-[3-(4-phenylphenyl)phenyl]-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
CID 122598828
9-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-14-(4-phenylphenyl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
CID 140937273
9-(4-naphthalen-2-ylquinazolin-2-yl)-14-[3-(4-phenylquinazolin-2-yl)phenyl]-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
CID 134509632

Frequently Asked Questions

What is the IUPAC name of 9,14-bis[4-(3-phenylquinoxalin-2-yl)phenyl]-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;9,14-bis(3-quinazolin-2-ylphenyl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;9-(4,6-diphenyl-1,3,5-triazin-2-yl)-14-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;9-(4,6-diphenyl-1,3,5-triazin-2-yl)-14-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;9-(3-phenylquinoxalin-2-yl)-14-[4-(3-phenylquinoxalin-2-yl)phenyl]-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;9-(3-quinazolin-2-ylphenyl)-14-(4-quinazolin-2-ylphenyl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene?
The IUPAC name of 9,14-bis[4-(3-phenylquinoxalin-2-yl)phenyl]-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;9,14-bis(3-quinazolin-2-ylphenyl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;9-(4,6-diphenyl-1,3,5-triazin-2-yl)-14-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;9-(4,6-diphenyl-1,3,5-triazin-2-yl)-14-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;9-(3-phenylquinoxalin-2-yl)-14-[4-(3-phenylquinoxalin-2-yl)phenyl]-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;9-(3-quinazolin-2-ylphenyl)-14-(4-quinazolin-2-ylphenyl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene (CID 161260479) is 9,14-bis[4-(3-phenylquinoxalin-2-yl)phenyl]-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;9,14-bis(3-quinazolin-2-ylphenyl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;9-(4,6-diphenyl-1,3,5-triazin-2-yl)-14-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;9-(4,6-diphenyl-1,3,5-triazin-2-yl)-14-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;9-(3-phenylquinoxalin-2-yl)-14-[4-(3-phenylquinoxalin-2-yl)phenyl]-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;9-(3-quinazolin-2-ylphenyl)-14-(4-quinazolin-2-ylphenyl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene.
What is the SMILES notation for 9,14-bis[4-(3-phenylquinoxalin-2-yl)phenyl]-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;9,14-bis(3-quinazolin-2-ylphenyl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;9-(4,6-diphenyl-1,3,5-triazin-2-yl)-14-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;9-(4,6-diphenyl-1,3,5-triazin-2-yl)-14-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;9-(3-phenylquinoxalin-2-yl)-14-[4-(3-phenylquinoxalin-2-yl)phenyl]-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;9-(3-quinazolin-2-ylphenyl)-14-(4-quinazolin-2-ylphenyl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene?
The canonical SMILES for 9,14-bis[4-(3-phenylquinoxalin-2-yl)phenyl]-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;9,14-bis(3-quinazolin-2-ylphenyl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;9-(4,6-diphenyl-1,3,5-triazin-2-yl)-14-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;9-(4,6-diphenyl-1,3,5-triazin-2-yl)-14-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;9-(3-phenylquinoxalin-2-yl)-14-[4-(3-phenylquinoxalin-2-yl)phenyl]-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;9-(3-quinazolin-2-ylphenyl)-14-(4-quinazolin-2-ylphenyl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene is c1cc(-c2ncc3ccccc3n2)cc(-n2c3ccccc3c3c4c5ccccc5n(-c5ccc(-c6ncc7ccccc7n6)cc5)c4ccc32)c1.c1cc(-c2ncc3ccccc3n2)cc(-n2c3ccccc3c3c4c5ccccc5n(-c5cccc(-c6ncc7ccccc7n6)c5)c4ccc32)c1.c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-n4c5ccccc5c5c6c7ccccc7n(-c7nc(-c8ccccc8)nc(-c8ccccc8)n7)c6ccc54)cc3)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc(-n4c5ccccc5c5c6c7ccccc7n(-c7nc(-c8ccccc8)nc(-c8ccccc8)n7)c6ccc54)c3)n2)cc1.c1ccc(-c2nc3ccccc3nc2-c2ccc(-n3c4ccccc4c4c5c6ccccc6n(-c6ccc(-c7nc8ccccc8nc7-c7ccccc7)cc6)c5ccc43)cc2)cc1.c1ccc(-c2nc3ccccc3nc2-c2ccc(-n3c4ccccc4c4c5c6ccccc6n(-c6nc7ccccc7nc6-c6ccccc6)c5ccc43)cc2)cc1.
What is the InChIKey of 9,14-bis[4-(3-phenylquinoxalin-2-yl)phenyl]-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;9,14-bis(3-quinazolin-2-ylphenyl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;9-(4,6-diphenyl-1,3,5-triazin-2-yl)-14-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;9-(4,6-diphenyl-1,3,5-triazin-2-yl)-14-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;9-(3-phenylquinoxalin-2-yl)-14-[4-(3-phenylquinoxalin-2-yl)phenyl]-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;9-(3-quinazolin-2-ylphenyl)-14-(4-quinazolin-2-ylphenyl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene?
The InChIKey is VCMFRRMHWFLKHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H36N6.2C54H34N8.C52H32N6.2C46H28N6/c1-3-15-37(16-4-1)55-57(61-47-23-11-9-21-45(47)59-55)39-27-31-41(32-28-39)63-49-25-13-7-19-43(49)53-51(63)35-36-52-54(53)44-20-8-14-26-50(44)64(52)42-33-29-40(30-34-42)58-56(38-17-5-2-6-18-38)60-46-22-10-12-24-48(46)62-58;1-5-18-35(19-6-1)49-55-50(36-20-7-2-8-21-36)57-53(56-49)39-26-17-27-40(34-39)61-43-30-15-13-28-41(43)47-45(61)32-33-46-48(47)42-29-14-16-31-44(42)62(46)54-59-51(37-22-9-3-10-23-37)58-52(60-54)38-24-11-4-12-25-38;1-5-17-35(18-6-1)49-55-50(36-19-7-2-8-20-36)57-51(56-49)39-29-31-40(32-30-39)61-43-27-15-13-25-41(43)47-45(61)33-34-46-48(47)42-26-14-16-28-44(42)62(46)54-59-52(37-21-9-3-10-22-37)58-53(60-54)38-23-11-4-12-24-38;1-3-15-33(16-4-1)49-50(54-40-22-10-9-21-39(40)53-49)35-27-29-36(30-28-35)57-43-25-13-7-19-37(43)47-45(57)31-32-46-48(47)38-20-8-14-26-44(38)58(46)52-51(34-17-5-2-6-18-34)55-41-23-11-12-24-42(41)56-52;1-5-19-37-31(11-1)27-47-45(49-37)29-13-9-15-33(25-29)51-39-21-7-3-17-35(39)43-41(51)23-24-42-44(43)36-18-4-8-22-40(36)52(42)34-16-10-14-30(26-34)46-48-28-32-12-2-6-20-38(32)50-46;1-5-16-37-31(10-1)27-47-45(49-37)29-20-22-33(23-21-29)51-39-18-7-3-14-35(39)43-41(51)24-25-42-44(43)36-15-4-8-19-40(36)52(42)34-13-9-12-30(26-34)46-48-28-32-11-2-6-17-38(32)50-46/h1-36H;2*1-34H;1-32H;2*1-28H.
What are the key properties of 9,14-bis[4-(3-phenylquinoxalin-2-yl)phenyl]-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;9,14-bis(3-quinazolin-2-ylphenyl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;9-(4,6-diphenyl-1,3,5-triazin-2-yl)-14-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;9-(4,6-diphenyl-1,3,5-triazin-2-yl)-14-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;9-(3-phenylquinoxalin-2-yl)-14-[4-(3-phenylquinoxalin-2-yl)phenyl]-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;9-(3-quinazolin-2-ylphenyl)-14-(4-quinazolin-2-ylphenyl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene?
9,14-bis[4-(3-phenylquinoxalin-2-yl)phenyl]-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;9,14-bis(3-quinazolin-2-ylphenyl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;9-(4,6-diphenyl-1,3,5-triazin-2-yl)-14-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;9-(4,6-diphenyl-1,3,5-triazin-2-yl)-14-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;9-(3-phenylquinoxalin-2-yl)-14-[4-(3-phenylquinoxalin-2-yl)phenyl]-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;9-(3-quinazolin-2-ylphenyl)-14-(4-quinazolin-2-ylphenyl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene has a molecular weight of 4477.23 g/mol, XLogP of 74.58, 33 rotatable bonds, 0 hydrogen bond donors, and 40 hydrogen bond acceptors.
Where does this data come from?
All data for 9,14-bis[4-(3-phenylquinoxalin-2-yl)phenyl]-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;9,14-bis(3-quinazolin-2-ylphenyl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;9-(4,6-diphenyl-1,3,5-triazin-2-yl)-14-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;9-(4,6-diphenyl-1,3,5-triazin-2-yl)-14-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;9-(3-phenylquinoxalin-2-yl)-14-[4-(3-phenylquinoxalin-2-yl)phenyl]-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;9-(3-quinazolin-2-ylphenyl)-14-(4-quinazolin-2-ylphenyl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene is sourced from PubChem (CID 161260479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).