3-(3-isocyanocarbazol-9-yl)-5-[3-(9-oxa-18,20-diazapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14(19),15,17-nonaen-20-yl)phenyl]benzonitrile;3-(3-isocyanocarbazol-9-yl)-5-[3-(9-phenyl-9,18,20-triazapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14(19),15,17-nonaen-20-yl)phenyl]benzonitrile;3-(3-isocyanocarbazol-9-yl)-5-[3-(9-thia-18,20-diazapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14(19),15,17-nonaen-20-yl)phenyl]benzonitrile;9-[3-isocyano-5-[3-(14-oxa-7,9-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaen-9-yl)phenyl]phenyl]carbazole-3-carbonitrile;9-[3-isocyano-5-[3-(14-phenyl-7,9,14-triazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaen-9-yl)phenyl]phenyl]carbazole-3-carbonitrile;9-[3-isocyano-5-[3-(14-thia-7,9-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaen-9-yl)phenyl]phenyl]carbazole-3-carbonitrile

C270H148N32O2S2 — CID 158382825

About 3-(3-isocyanocarbazol-9-yl)-5-[3-(9-oxa-18,20-diazapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14(19),15,17-nonaen-20-yl)phenyl]benzonitrile;3-(3-isocyanocarbazol-9-yl)-5-[3-(9-phenyl-9,18,20-triazapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14(19),15,17-nonaen-20-yl)phenyl]benzonitrile;3-(3-isocyanocarbazol-9-yl)-5-[3-(9-thia-18,20-diazapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14(19),15,17-nonaen-20-yl)phenyl]benzonitrile;9-[3-isocyano-5-[3-(14-oxa-7,9-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaen-9-yl)phenyl]phenyl]carbazole-3-carbonitrile;9-[3-isocyano-5-[3-(14-phenyl-7,9,14-triazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaen-9-yl)phenyl]phenyl]carbazole-3-carbonitrile;9-[3-isocyano-5-[3-(14-thia-7,9-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaen-9-yl)phenyl]phenyl]carbazole-3-carbonitrile

3-(3-isocyanocarbazol-9-yl)-5-[3-(9-oxa-18,20-diazapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14(19),15,17-nonaen-20-yl)phenyl]benzonitrile;3-(3-isocyanocarbazol-9-yl)-5-[3-(9-phenyl-9,18,20-triazapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14(19),15,17-nonaen-20-yl)phenyl]benzonitrile;3-(3-isocyanocarbazol-9-yl)-5-[3-(9-thia-18,20-diazapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14(19),15,17-nonaen-20-yl)phenyl]benzonitrile;9-[3-isocyano-5-[3-(14-oxa-7,9-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaen-9-yl)phenyl]phenyl]carbazole-3-carbonitrile;9-[3-isocyano-5-[3-(14-phenyl-7,9,14-triazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaen-9-yl)phenyl]phenyl]carbazole-3-carbonitrile;9-[3-isocyano-5-[3-(14-thia-7,9-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaen-9-yl)phenyl]phenyl]carbazole-3-carbonitrile (PubChem CID 158382825) has the molecular formula C270H148N32O2S2 and a molecular weight of 3936.51 g/mol. Its IUPAC name is 3-(3-isocyanocarbazol-9-yl)-5-[3-(9-oxa-18,20-diazapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14(19),15,17-nonaen-20-yl)phenyl]benzonitrile;3-(3-isocyanocarbazol-9-yl)-5-[3-(9-phenyl-9,18,20-triazapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14(19),15,17-nonaen-20-yl)phenyl]benzonitrile;3-(3-isocyanocarbazol-9-yl)-5-[3-(9-thia-18,20-diazapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14(19),15,17-nonaen-20-yl)phenyl]benzonitrile;9-[3-isocyano-5-[3-(14-oxa-7,9-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaen-9-yl)phenyl]phenyl]carbazole-3-carbonitrile;9-[3-isocyano-5-[3-(14-phenyl-7,9,14-triazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaen-9-yl)phenyl]phenyl]carbazole-3-carbonitrile;9-[3-isocyano-5-[3-(14-thia-7,9-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaen-9-yl)phenyl]phenyl]carbazole-3-carbonitrile.

Molecular Properties

• Compound Name: 3-(3-isocyanocarbazol-9-yl)-5-[3-(9-oxa-18,20-diazapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14(19),15,17-nonaen-20-yl)phenyl]benzonitrile;3-(3-isocyanocarbazol-9-yl)-5-[3-(9-phenyl-9,18,20-triazapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14(19),15,17-nonaen-20-yl)phenyl]benzonitrile;3-(3-isocyanocarbazol-9-yl)-5-[3-(9-thia-18,20-diazapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14(19),15,17-nonaen-20-yl)phenyl]benzonitrile;9-[3-isocyano-5-[3-(14-oxa-7,9-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaen-9-yl)phenyl]phenyl]carbazole-3-carbonitrile;9-[3-isocyano-5-[3-(14-phenyl-7,9,14-triazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaen-9-yl)phenyl]phenyl]carbazole-3-carbonitrile;9-[3-isocyano-5-[3-(14-thia-7,9-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaen-9-yl)phenyl]phenyl]carbazole-3-carbonitrile
• PubChem CID: 158382825
• Molecular Formula: C270H148N32O2S2
• Molecular Weight: 3936.51 g/mol
• Exact Mass: 3933.19
• IUPAC Name: 3-(3-isocyanocarbazol-9-yl)-5-[3-(9-oxa-18,20-diazapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14(19),15,17-nonaen-20-yl)phenyl]benzonitrile;3-(3-isocyanocarbazol-9-yl)-5-[3-(9-phenyl-9,18,20-triazapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14(19),15,17-nonaen-20-yl)phenyl]benzonitrile;3-(3-isocyanocarbazol-9-yl)-5-[3-(9-thia-18,20-diazapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14(19),15,17-nonaen-20-yl)phenyl]benzonitrile;9-[3-isocyano-5-[3-(14-oxa-7,9-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaen-9-yl)phenyl]phenyl]carbazole-3-carbonitrile;9-[3-isocyano-5-[3-(14-phenyl-7,9,14-triazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaen-9-yl)phenyl]phenyl]carbazole-3-carbonitrile;9-[3-isocyano-5-[3-(14-thia-7,9-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaen-9-yl)phenyl]phenyl]carbazole-3-carbonitrile
• SMILES: [C-]#[N+]c1cc(-c2cccc(-n3c4ccc5c(c6ccccc6n5-c5ccccc5)c4c4cccnc43)c2)cc(-n2c3ccccc3c3cc(C#N)ccc32)c1.[C-]#[N+]c1cc(-c2cccc(-n3c4ccc5oc6ccccc6c5c4c4cccnc43)c2)cc(-n2c3ccccc3c3cc(C#N)ccc32)c1.[C-]#[N+]c1cc(-c2cccc(-n3c4ccc5sc6ccccc6c5c4c4cccnc43)c2)cc(-n2c3ccccc3c3cc(C#N)ccc32)c1.[C-]#[N+]c1ccc2c(c1)c1ccccc1n2-c1cc(C#N)cc(-c2cccc(-n3c4ncccc4c4ccc5c(c6ccccc6n5-c5ccccc5)c43)c2)c1.[C-]#[N+]c1ccc2c(c1)c1ccccc1n2-c1cc(C#N)cc(-c2cccc(-n3c4ncccc4c4ccc5oc6ccccc6c5c43)c2)c1.[C-]#[N+]c1ccc2c(c1)c1ccccc1n2-c1cc(C#N)cc(-c2cccc(-n3c4ncccc4c4ccc5sc6ccccc6c5c43)c2)c1
• InChI: InChI=1S/2C49H28N6.2C43H23N5O.2C43H23N5S/c1-51-34-20-22-45-42(29-34)38-15-5-7-18-43(38)54(45)37-26-31(30-50)25-33(28-37)32-11-9-14-36(27-32)55-48-39(40-17-10-24-52-49(40)55)21-23-46-47(48)41-16-6-8-19-44(41)53(46)35-12-3-2-4-13-35;1-51-34-26-33(28-37(29-34)54-42-18-7-5-15-38(42)41-25-31(30-50)20-21-44(41)54)32-11-9-14-36(27-32)55-46-23-22-45-47(48(46)40-17-10-24-52-49(40)55)39-16-6-8-19-43(39)53(45)35-12-3-2-4-13-35;1-45-29-15-17-38-36(24-29)32-10-2-4-13-37(32)47(38)31-21-26(25-44)20-28(23-31)27-8-6-9-30(22-27)48-42-33(34-12-7-19-46-43(34)48)16-18-40-41(42)35-11-3-5-14-39(35)49-40;1-45-29-21-28(23-31(24-29)47-36-13-4-2-10-32(36)35-20-26(25-44)15-16-37(35)47)27-8-6-9-30(22-27)48-38-17-18-40-42(33-11-3-5-14-39(33)49-40)41(38)34-12-7-19-46-43(34)48;1-45-29-15-17-38-36(24-29)32-10-2-4-13-37(32)47(38)31-21-26(25-44)20-28(23-31)27-8-6-9-30(22-27)48-42-33(34-12-7-19-46-43(34)48)16-18-40-41(42)35-11-3-5-14-39(35)49-40;1-45-29-21-28(23-31(24-29)47-36-13-4-2-10-32(36)35-20-26(25-44)15-16-37(35)47)27-8-6-9-30(22-27)48-38-17-18-40-42(33-11-3-5-14-39(33)49-40)41(38)34-12-7-19-46-43(34)48/h2*2-29H;4*2-24H
• InChIKey: GVZUHBRCBFRISN-UHFFFAOYSA-N
• XLogP: 70.92
• TPSA: 341.54 Ų
• H-Bond Acceptors: 30
• Rotatable Bonds: 20
• Heavy Atoms: 306
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3936.51
LogP ≤ 5	70.92
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	30

Frequently Asked Questions

What is the IUPAC name of 3-(3-isocyanocarbazol-9-yl)-5-[3-(9-oxa-18,20-diazapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14(19),15,17-nonaen-20-yl)phenyl]benzonitrile;3-(3-isocyanocarbazol-9-yl)-5-[3-(9-phenyl-9,18,20-triazapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14(19),15,17-nonaen-20-yl)phenyl]benzonitrile;3-(3-isocyanocarbazol-9-yl)-5-[3-(9-thia-18,20-diazapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14(19),15,17-nonaen-20-yl)phenyl]benzonitrile;9-[3-isocyano-5-[3-(14-oxa-7,9-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaen-9-yl)phenyl]phenyl]carbazole-3-carbonitrile;9-[3-isocyano-5-[3-(14-phenyl-7,9,14-triazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaen-9-yl)phenyl]phenyl]carbazole-3-carbonitrile;9-[3-isocyano-5-[3-(14-thia-7,9-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaen-9-yl)phenyl]phenyl]carbazole-3-carbonitrile?

The IUPAC name of 3-(3-isocyanocarbazol-9-yl)-5-[3-(9-oxa-18,20-diazapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14(19),15,17-nonaen-20-yl)phenyl]benzonitrile;3-(3-isocyanocarbazol-9-yl)-5-[3-(9-phenyl-9,18,20-triazapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14(19),15,17-nonaen-20-yl)phenyl]benzonitrile;3-(3-isocyanocarbazol-9-yl)-5-[3-(9-thia-18,20-diazapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14(19),15,17-nonaen-20-yl)phenyl]benzonitrile;9-[3-isocyano-5-[3-(14-oxa-7,9-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaen-9-yl)phenyl]phenyl]carbazole-3-carbonitrile;9-[3-isocyano-5-[3-(14-phenyl-7,9,14-triazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaen-9-yl)phenyl]phenyl]carbazole-3-carbonitrile;9-[3-isocyano-5-[3-(14-thia-7,9-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaen-9-yl)phenyl]phenyl]carbazole-3-carbonitrile (CID 158382825) is 3-(3-isocyanocarbazol-9-yl)-5-[3-(9-oxa-18,20-diazapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14(19),15,17-nonaen-20-yl)phenyl]benzonitrile;3-(3-isocyanocarbazol-9-yl)-5-[3-(9-phenyl-9,18,20-triazapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14(19),15,17-nonaen-20-yl)phenyl]benzonitrile;3-(3-isocyanocarbazol-9-yl)-5-[3-(9-thia-18,20-diazapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14(19),15,17-nonaen-20-yl)phenyl]benzonitrile;9-[3-isocyano-5-[3-(14-oxa-7,9-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaen-9-yl)phenyl]phenyl]carbazole-3-carbonitrile;9-[3-isocyano-5-[3-(14-phenyl-7,9,14-triazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaen-9-yl)phenyl]phenyl]carbazole-3-carbonitrile;9-[3-isocyano-5-[3-(14-thia-7,9-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaen-9-yl)phenyl]phenyl]carbazole-3-carbonitrile.

What is the SMILES notation for 3-(3-isocyanocarbazol-9-yl)-5-[3-(9-oxa-18,20-diazapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14(19),15,17-nonaen-20-yl)phenyl]benzonitrile;3-(3-isocyanocarbazol-9-yl)-5-[3-(9-phenyl-9,18,20-triazapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14(19),15,17-nonaen-20-yl)phenyl]benzonitrile;3-(3-isocyanocarbazol-9-yl)-5-[3-(9-thia-18,20-diazapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14(19),15,17-nonaen-20-yl)phenyl]benzonitrile;9-[3-isocyano-5-[3-(14-oxa-7,9-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaen-9-yl)phenyl]phenyl]carbazole-3-carbonitrile;9-[3-isocyano-5-[3-(14-phenyl-7,9,14-triazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaen-9-yl)phenyl]phenyl]carbazole-3-carbonitrile;9-[3-isocyano-5-[3-(14-thia-7,9-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaen-9-yl)phenyl]phenyl]carbazole-3-carbonitrile?

The canonical SMILES for 3-(3-isocyanocarbazol-9-yl)-5-[3-(9-oxa-18,20-diazapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14(19),15,17-nonaen-20-yl)phenyl]benzonitrile;3-(3-isocyanocarbazol-9-yl)-5-[3-(9-phenyl-9,18,20-triazapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14(19),15,17-nonaen-20-yl)phenyl]benzonitrile;3-(3-isocyanocarbazol-9-yl)-5-[3-(9-thia-18,20-diazapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14(19),15,17-nonaen-20-yl)phenyl]benzonitrile;9-[3-isocyano-5-[3-(14-oxa-7,9-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaen-9-yl)phenyl]phenyl]carbazole-3-carbonitrile;9-[3-isocyano-5-[3-(14-phenyl-7,9,14-triazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaen-9-yl)phenyl]phenyl]carbazole-3-carbonitrile;9-[3-isocyano-5-[3-(14-thia-7,9-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaen-9-yl)phenyl]phenyl]carbazole-3-carbonitrile is [C-]#[N+]c1cc(-c2cccc(-n3c4ccc5c(c6ccccc6n5-c5ccccc5)c4c4cccnc43)c2)cc(-n2c3ccccc3c3cc(C#N)ccc32)c1.[C-]#[N+]c1cc(-c2cccc(-n3c4ccc5oc6ccccc6c5c4c4cccnc43)c2)cc(-n2c3ccccc3c3cc(C#N)ccc32)c1.[C-]#[N+]c1cc(-c2cccc(-n3c4ccc5sc6ccccc6c5c4c4cccnc43)c2)cc(-n2c3ccccc3c3cc(C#N)ccc32)c1.[C-]#[N+]c1ccc2c(c1)c1ccccc1n2-c1cc(C#N)cc(-c2cccc(-n3c4ncccc4c4ccc5c(c6ccccc6n5-c5ccccc5)c43)c2)c1.[C-]#[N+]c1ccc2c(c1)c1ccccc1n2-c1cc(C#N)cc(-c2cccc(-n3c4ncccc4c4ccc5oc6ccccc6c5c43)c2)c1.[C-]#[N+]c1ccc2c(c1)c1ccccc1n2-c1cc(C#N)cc(-c2cccc(-n3c4ncccc4c4ccc5sc6ccccc6c5c43)c2)c1.

What is the InChIKey of 3-(3-isocyanocarbazol-9-yl)-5-[3-(9-oxa-18,20-diazapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14(19),15,17-nonaen-20-yl)phenyl]benzonitrile;3-(3-isocyanocarbazol-9-yl)-5-[3-(9-phenyl-9,18,20-triazapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14(19),15,17-nonaen-20-yl)phenyl]benzonitrile;3-(3-isocyanocarbazol-9-yl)-5-[3-(9-thia-18,20-diazapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14(19),15,17-nonaen-20-yl)phenyl]benzonitrile;9-[3-isocyano-5-[3-(14-oxa-7,9-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaen-9-yl)phenyl]phenyl]carbazole-3-carbonitrile;9-[3-isocyano-5-[3-(14-phenyl-7,9,14-triazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaen-9-yl)phenyl]phenyl]carbazole-3-carbonitrile;9-[3-isocyano-5-[3-(14-thia-7,9-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaen-9-yl)phenyl]phenyl]carbazole-3-carbonitrile?

The InChIKey is GVZUHBRCBFRISN-UHFFFAOYSA-N. The full InChI is InChI=1S/2C49H28N6.2C43H23N5O.2C43H23N5S/c1-51-34-20-22-45-42(29-34)38-15-5-7-18-43(38)54(45)37-26-31(30-50)25-33(28-37)32-11-9-14-36(27-32)55-48-39(40-17-10-24-52-49(40)55)21-23-46-47(48)41-16-6-8-19-44(41)53(46)35-12-3-2-4-13-35;1-51-34-26-33(28-37(29-34)54-42-18-7-5-15-38(42)41-25-31(30-50)20-21-44(41)54)32-11-9-14-36(27-32)55-46-23-22-45-47(48(46)40-17-10-24-52-49(40)55)39-16-6-8-19-43(39)53(45)35-12-3-2-4-13-35;1-45-29-15-17-38-36(24-29)32-10-2-4-13-37(32)47(38)31-21-26(25-44)20-28(23-31)27-8-6-9-30(22-27)48-42-33(34-12-7-19-46-43(34)48)16-18-40-41(42)35-11-3-5-14-39(35)49-40;1-45-29-21-28(23-31(24-29)47-36-13-4-2-10-32(36)35-20-26(25-44)15-16-37(35)47)27-8-6-9-30(22-27)48-38-17-18-40-42(33-11-3-5-14-39(33)49-40)41(38)34-12-7-19-46-43(34)48;1-45-29-15-17-38-36(24-29)32-10-2-4-13-37(32)47(38)31-21-26(25-44)20-28(23-31)27-8-6-9-30(22-27)48-42-33(34-12-7-19-46-43(34)48)16-18-40-41(42)35-11-3-5-14-39(35)49-40;1-45-29-21-28(23-31(24-29)47-36-13-4-2-10-32(36)35-20-26(25-44)15-16-37(35)47)27-8-6-9-30(22-27)48-38-17-18-40-42(33-11-3-5-14-39(33)49-40)41(38)34-12-7-19-46-43(34)48/h2*2-29H;4*2-24H.

What are the key properties of 3-(3-isocyanocarbazol-9-yl)-5-[3-(9-oxa-18,20-diazapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14(19),15,17-nonaen-20-yl)phenyl]benzonitrile;3-(3-isocyanocarbazol-9-yl)-5-[3-(9-phenyl-9,18,20-triazapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14(19),15,17-nonaen-20-yl)phenyl]benzonitrile;3-(3-isocyanocarbazol-9-yl)-5-[3-(9-thia-18,20-diazapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14(19),15,17-nonaen-20-yl)phenyl]benzonitrile;9-[3-isocyano-5-[3-(14-oxa-7,9-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaen-9-yl)phenyl]phenyl]carbazole-3-carbonitrile;9-[3-isocyano-5-[3-(14-phenyl-7,9,14-triazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaen-9-yl)phenyl]phenyl]carbazole-3-carbonitrile;9-[3-isocyano-5-[3-(14-thia-7,9-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaen-9-yl)phenyl]phenyl]carbazole-3-carbonitrile?

3-(3-isocyanocarbazol-9-yl)-5-[3-(9-oxa-18,20-diazapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14(19),15,17-nonaen-20-yl)phenyl]benzonitrile;3-(3-isocyanocarbazol-9-yl)-5-[3-(9-phenyl-9,18,20-triazapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14(19),15,17-nonaen-20-yl)phenyl]benzonitrile;3-(3-isocyanocarbazol-9-yl)-5-[3-(9-thia-18,20-diazapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14(19),15,17-nonaen-20-yl)phenyl]benzonitrile;9-[3-isocyano-5-[3-(14-oxa-7,9-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaen-9-yl)phenyl]phenyl]carbazole-3-carbonitrile;9-[3-isocyano-5-[3-(14-phenyl-7,9,14-triazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaen-9-yl)phenyl]phenyl]carbazole-3-carbonitrile;9-[3-isocyano-5-[3-(14-thia-7,9-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaen-9-yl)phenyl]phenyl]carbazole-3-carbonitrile has a molecular weight of 3936.51 g/mol, XLogP of 70.92, 20 rotatable bonds, 0 hydrogen bond donors, and 30 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(3-isocyanocarbazol-9-yl)-5-[3-(9-oxa-18,20-diazapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14(19),15,17-nonaen-20-yl)phenyl]benzonitrile;3-(3-isocyanocarbazol-9-yl)-5-[3-(9-phenyl-9,18,20-triazapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14(19),15,17-nonaen-20-yl)phenyl]benzonitrile;3-(3-isocyanocarbazol-9-yl)-5-[3-(9-thia-18,20-diazapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14(19),15,17-nonaen-20-yl)phenyl]benzonitrile;9-[3-isocyano-5-[3-(14-oxa-7,9-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaen-9-yl)phenyl]phenyl]carbazole-3-carbonitrile;9-[3-isocyano-5-[3-(14-phenyl-7,9,14-triazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaen-9-yl)phenyl]phenyl]carbazole-3-carbonitrile;9-[3-isocyano-5-[3-(14-thia-7,9-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaen-9-yl)phenyl]phenyl]carbazole-3-carbonitrile is sourced from PubChem (CID 158382825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).