3,5-bis(pyrido[3,4-b]indol-9-yl)benzonitrile;3-carbazol-9-yl-5-(3-carbazol-9-yl-5-cyanophenyl)benzonitrile;9-[3-cyano-5-(3-isocyanopyrido[3,4-b]indol-9-yl)phenyl]pyrido[3,4-b]indole-3-carbonitrile;9-[6-(3-isocyanocarbazol-9-yl)-2-pyridinyl]carbazole-3-carbonitrile;3-(3-isocyanocarbazol-9-yl)-5-pyrido[3,4-b]indol-9-ylbenzonitrile;9-[6-(3-isocyanopyrido[3,4-b]indol-9-yl)-2-pyridinyl]pyrido[3,4-b]indole-3-carbonitrile

C189H103N33 — CID 159668080

About 3,5-bis(pyrido[3,4-b]indol-9-yl)benzonitrile;3-carbazol-9-yl-5-(3-carbazol-9-yl-5-cyanophenyl)benzonitrile;9-[3-cyano-5-(3-isocyanopyrido[3,4-b]indol-9-yl)phenyl]pyrido[3,4-b]indole-3-carbonitrile;9-[6-(3-isocyanocarbazol-9-yl)-2-pyridinyl]carbazole-3-carbonitrile;3-(3-isocyanocarbazol-9-yl)-5-pyrido[3,4-b]indol-9-ylbenzonitrile;9-[6-(3-isocyanopyrido[3,4-b]indol-9-yl)-2-pyridinyl]pyrido[3,4-b]indole-3-carbonitrile

3,5-bis(pyrido[3,4-b]indol-9-yl)benzonitrile;3-carbazol-9-yl-5-(3-carbazol-9-yl-5-cyanophenyl)benzonitrile;9-[3-cyano-5-(3-isocyanopyrido[3,4-b]indol-9-yl)phenyl]pyrido[3,4-b]indole-3-carbonitrile;9-[6-(3-isocyanocarbazol-9-yl)-2-pyridinyl]carbazole-3-carbonitrile;3-(3-isocyanocarbazol-9-yl)-5-pyrido[3,4-b]indol-9-ylbenzonitrile;9-[6-(3-isocyanopyrido[3,4-b]indol-9-yl)-2-pyridinyl]pyrido[3,4-b]indole-3-carbonitrile (PubChem CID 159668080) has the molecular formula C189H103N33 and a molecular weight of 2836.13 g/mol. Its IUPAC name is 3,5-bis(pyrido[3,4-b]indol-9-yl)benzonitrile;3-carbazol-9-yl-5-(3-carbazol-9-yl-5-cyanophenyl)benzonitrile;9-[3-cyano-5-(3-isocyanopyrido[3,4-b]indol-9-yl)phenyl]pyrido[3,4-b]indole-3-carbonitrile;9-[6-(3-isocyanocarbazol-9-yl)-2-pyridinyl]carbazole-3-carbonitrile;3-(3-isocyanocarbazol-9-yl)-5-pyrido[3,4-b]indol-9-ylbenzonitrile;9-[6-(3-isocyanopyrido[3,4-b]indol-9-yl)-2-pyridinyl]pyrido[3,4-b]indole-3-carbonitrile.

Molecular Properties

• Compound Name: 3,5-bis(pyrido[3,4-b]indol-9-yl)benzonitrile;3-carbazol-9-yl-5-(3-carbazol-9-yl-5-cyanophenyl)benzonitrile;9-[3-cyano-5-(3-isocyanopyrido[3,4-b]indol-9-yl)phenyl]pyrido[3,4-b]indole-3-carbonitrile;9-[6-(3-isocyanocarbazol-9-yl)-2-pyridinyl]carbazole-3-carbonitrile;3-(3-isocyanocarbazol-9-yl)-5-pyrido[3,4-b]indol-9-ylbenzonitrile;9-[6-(3-isocyanopyrido[3,4-b]indol-9-yl)-2-pyridinyl]pyrido[3,4-b]indole-3-carbonitrile
• PubChem CID: 159668080
• Molecular Formula: C189H103N33
• Molecular Weight: 2836.13 g/mol
• Exact Mass: 2833.91
• IUPAC Name: 3,5-bis(pyrido[3,4-b]indol-9-yl)benzonitrile;3-carbazol-9-yl-5-(3-carbazol-9-yl-5-cyanophenyl)benzonitrile;9-[3-cyano-5-(3-isocyanopyrido[3,4-b]indol-9-yl)phenyl]pyrido[3,4-b]indole-3-carbonitrile;9-[6-(3-isocyanocarbazol-9-yl)-2-pyridinyl]carbazole-3-carbonitrile;3-(3-isocyanocarbazol-9-yl)-5-pyrido[3,4-b]indol-9-ylbenzonitrile;9-[6-(3-isocyanopyrido[3,4-b]indol-9-yl)-2-pyridinyl]pyrido[3,4-b]indole-3-carbonitrile
• SMILES: N#Cc1cc(-c2cc(C#N)cc(-n3c4ccccc4c4ccccc43)c2)cc(-n2c3ccccc3c3ccccc32)c1.N#Cc1cc(-n2c3ccccc3c3ccncc32)cc(-n2c3ccccc3c3ccncc32)c1.[C-]#[N+]c1cc2c3ccccc3n(-c3cc(C#N)cc(-n4c5ccccc5c5cc(C#N)ncc54)c3)c2cn1.[C-]#[N+]c1cc2c3ccccc3n(-c3cccc(-n4c5ccccc5c5cc(C#N)ncc54)n3)c2cn1.[C-]#[N+]c1ccc2c(c1)c1ccccc1n2-c1cc(C#N)cc(-n2c3ccccc3c3ccncc32)c1.[C-]#[N+]c1ccc2c(c1)c1ccccc1n2-c1cccc(-n2c3ccccc3c3cc(C#N)ccc32)n1
• InChI: InChI=1S/C38H22N4.C31H15N7.2C31H17N5.C29H15N7.C29H17N5/c39-23-25-17-27(21-29(19-25)41-35-13-5-1-9-31(35)32-10-2-6-14-36(32)41)28-18-26(24-40)20-30(22-28)42-37-15-7-3-11-33(37)34-12-4-8-16-38(34)42;1-34-31-14-26-24-7-3-5-9-28(24)38(30(26)18-36-31)22-11-19(15-32)10-21(13-22)37-27-8-4-2-6-23(27)25-12-20(16-33)35-17-29(25)37;1-33-21-14-16-29-25(18-21)23-8-3-5-10-27(23)36(29)31-12-6-11-30(34-31)35-26-9-4-2-7-22(26)24-17-20(19-32)13-15-28(24)35;1-33-21-10-11-30-27(16-21)25-7-3-5-9-29(25)35(30)22-14-20(18-32)15-23(17-22)36-28-8-4-2-6-24(28)26-12-13-34-19-31(26)36;1-31-27-14-22-20-8-3-5-10-24(20)36(26(22)17-33-27)29-12-6-11-28(34-29)35-23-9-4-2-7-19(23)21-13-18(15-30)32-16-25(21)35;30-16-19-13-20(33-26-7-3-1-5-22(26)24-9-11-31-17-28(24)33)15-21(14-19)34-27-8-4-2-6-23(27)25-10-12-32-18-29(25)34/h1-22H;2-14,17-18H;2-18H;2-17,19H;2-14,16-17H;1-15,17-18H
• InChIKey: MTQZXTKQDQIOBV-UHFFFAOYSA-N
• XLogP: 44.68
• TPSA: 382.93 Ų
• H-Bond Acceptors: 29
• Rotatable Bonds: 13
• Heavy Atoms: 222
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2836.13
LogP ≤ 5	44.68
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	29

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 3,5-bis(pyrido[3,4-b]indol-9-yl)benzonitrile;3-carbazol-9-yl-5-(3-carbazol-9-yl-5-cyanophenyl)benzonitrile;9-[3-cyano-5-(3-isocyanopyrido[3,4-b]indol-9-yl)phenyl]pyrido[3,4-b]indole-3-carbonitrile;9-[6-(3-isocyanocarbazol-9-yl)-2-pyridinyl]carbazole-3-carbonitrile;3-(3-isocyanocarbazol-9-yl)-5-pyrido[3,4-b]indol-9-ylbenzonitrile;9-[6-(3-isocyanopyrido[3,4-b]indol-9-yl)-2-pyridinyl]pyrido[3,4-b]indole-3-carbonitrile?

The IUPAC name of 3,5-bis(pyrido[3,4-b]indol-9-yl)benzonitrile;3-carbazol-9-yl-5-(3-carbazol-9-yl-5-cyanophenyl)benzonitrile;9-[3-cyano-5-(3-isocyanopyrido[3,4-b]indol-9-yl)phenyl]pyrido[3,4-b]indole-3-carbonitrile;9-[6-(3-isocyanocarbazol-9-yl)-2-pyridinyl]carbazole-3-carbonitrile;3-(3-isocyanocarbazol-9-yl)-5-pyrido[3,4-b]indol-9-ylbenzonitrile;9-[6-(3-isocyanopyrido[3,4-b]indol-9-yl)-2-pyridinyl]pyrido[3,4-b]indole-3-carbonitrile (CID 159668080) is 3,5-bis(pyrido[3,4-b]indol-9-yl)benzonitrile;3-carbazol-9-yl-5-(3-carbazol-9-yl-5-cyanophenyl)benzonitrile;9-[3-cyano-5-(3-isocyanopyrido[3,4-b]indol-9-yl)phenyl]pyrido[3,4-b]indole-3-carbonitrile;9-[6-(3-isocyanocarbazol-9-yl)-2-pyridinyl]carbazole-3-carbonitrile;3-(3-isocyanocarbazol-9-yl)-5-pyrido[3,4-b]indol-9-ylbenzonitrile;9-[6-(3-isocyanopyrido[3,4-b]indol-9-yl)-2-pyridinyl]pyrido[3,4-b]indole-3-carbonitrile.

What is the SMILES notation for 3,5-bis(pyrido[3,4-b]indol-9-yl)benzonitrile;3-carbazol-9-yl-5-(3-carbazol-9-yl-5-cyanophenyl)benzonitrile;9-[3-cyano-5-(3-isocyanopyrido[3,4-b]indol-9-yl)phenyl]pyrido[3,4-b]indole-3-carbonitrile;9-[6-(3-isocyanocarbazol-9-yl)-2-pyridinyl]carbazole-3-carbonitrile;3-(3-isocyanocarbazol-9-yl)-5-pyrido[3,4-b]indol-9-ylbenzonitrile;9-[6-(3-isocyanopyrido[3,4-b]indol-9-yl)-2-pyridinyl]pyrido[3,4-b]indole-3-carbonitrile?

The canonical SMILES for 3,5-bis(pyrido[3,4-b]indol-9-yl)benzonitrile;3-carbazol-9-yl-5-(3-carbazol-9-yl-5-cyanophenyl)benzonitrile;9-[3-cyano-5-(3-isocyanopyrido[3,4-b]indol-9-yl)phenyl]pyrido[3,4-b]indole-3-carbonitrile;9-[6-(3-isocyanocarbazol-9-yl)-2-pyridinyl]carbazole-3-carbonitrile;3-(3-isocyanocarbazol-9-yl)-5-pyrido[3,4-b]indol-9-ylbenzonitrile;9-[6-(3-isocyanopyrido[3,4-b]indol-9-yl)-2-pyridinyl]pyrido[3,4-b]indole-3-carbonitrile is N#Cc1cc(-c2cc(C#N)cc(-n3c4ccccc4c4ccccc43)c2)cc(-n2c3ccccc3c3ccccc32)c1.N#Cc1cc(-n2c3ccccc3c3ccncc32)cc(-n2c3ccccc3c3ccncc32)c1.[C-]#[N+]c1cc2c3ccccc3n(-c3cc(C#N)cc(-n4c5ccccc5c5cc(C#N)ncc54)c3)c2cn1.[C-]#[N+]c1cc2c3ccccc3n(-c3cccc(-n4c5ccccc5c5cc(C#N)ncc54)n3)c2cn1.[C-]#[N+]c1ccc2c(c1)c1ccccc1n2-c1cc(C#N)cc(-n2c3ccccc3c3ccncc32)c1.[C-]#[N+]c1ccc2c(c1)c1ccccc1n2-c1cccc(-n2c3ccccc3c3cc(C#N)ccc32)n1.

What is the InChIKey of 3,5-bis(pyrido[3,4-b]indol-9-yl)benzonitrile;3-carbazol-9-yl-5-(3-carbazol-9-yl-5-cyanophenyl)benzonitrile;9-[3-cyano-5-(3-isocyanopyrido[3,4-b]indol-9-yl)phenyl]pyrido[3,4-b]indole-3-carbonitrile;9-[6-(3-isocyanocarbazol-9-yl)-2-pyridinyl]carbazole-3-carbonitrile;3-(3-isocyanocarbazol-9-yl)-5-pyrido[3,4-b]indol-9-ylbenzonitrile;9-[6-(3-isocyanopyrido[3,4-b]indol-9-yl)-2-pyridinyl]pyrido[3,4-b]indole-3-carbonitrile?

The InChIKey is MTQZXTKQDQIOBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H22N4.C31H15N7.2C31H17N5.C29H15N7.C29H17N5/c39-23-25-17-27(21-29(19-25)41-35-13-5-1-9-31(35)32-10-2-6-14-36(32)41)28-18-26(24-40)20-30(22-28)42-37-15-7-3-11-33(37)34-12-4-8-16-38(34)42;1-34-31-14-26-24-7-3-5-9-28(24)38(30(26)18-36-31)22-11-19(15-32)10-21(13-22)37-27-8-4-2-6-23(27)25-12-20(16-33)35-17-29(25)37;1-33-21-14-16-29-25(18-21)23-8-3-5-10-27(23)36(29)31-12-6-11-30(34-31)35-26-9-4-2-7-22(26)24-17-20(19-32)13-15-28(24)35;1-33-21-10-11-30-27(16-21)25-7-3-5-9-29(25)35(30)22-14-20(18-32)15-23(17-22)36-28-8-4-2-6-24(28)26-12-13-34-19-31(26)36;1-31-27-14-22-20-8-3-5-10-24(20)36(26(22)17-33-27)29-12-6-11-28(34-29)35-23-9-4-2-7-19(23)21-13-18(15-30)32-16-25(21)35;30-16-19-13-20(33-26-7-3-1-5-22(26)24-9-11-31-17-28(24)33)15-21(14-19)34-27-8-4-2-6-23(27)25-10-12-32-18-29(25)34/h1-22H;2-14,17-18H;2-18H;2-17,19H;2-14,16-17H;1-15,17-18H.

What are the key properties of 3,5-bis(pyrido[3,4-b]indol-9-yl)benzonitrile;3-carbazol-9-yl-5-(3-carbazol-9-yl-5-cyanophenyl)benzonitrile;9-[3-cyano-5-(3-isocyanopyrido[3,4-b]indol-9-yl)phenyl]pyrido[3,4-b]indole-3-carbonitrile;9-[6-(3-isocyanocarbazol-9-yl)-2-pyridinyl]carbazole-3-carbonitrile;3-(3-isocyanocarbazol-9-yl)-5-pyrido[3,4-b]indol-9-ylbenzonitrile;9-[6-(3-isocyanopyrido[3,4-b]indol-9-yl)-2-pyridinyl]pyrido[3,4-b]indole-3-carbonitrile?

3,5-bis(pyrido[3,4-b]indol-9-yl)benzonitrile;3-carbazol-9-yl-5-(3-carbazol-9-yl-5-cyanophenyl)benzonitrile;9-[3-cyano-5-(3-isocyanopyrido[3,4-b]indol-9-yl)phenyl]pyrido[3,4-b]indole-3-carbonitrile;9-[6-(3-isocyanocarbazol-9-yl)-2-pyridinyl]carbazole-3-carbonitrile;3-(3-isocyanocarbazol-9-yl)-5-pyrido[3,4-b]indol-9-ylbenzonitrile;9-[6-(3-isocyanopyrido[3,4-b]indol-9-yl)-2-pyridinyl]pyrido[3,4-b]indole-3-carbonitrile has a molecular weight of 2836.13 g/mol, XLogP of 44.68, 13 rotatable bonds, 0 hydrogen bond donors, and 29 hydrogen bond acceptors.

Where does this data come from?

All data for 3,5-bis(pyrido[3,4-b]indol-9-yl)benzonitrile;3-carbazol-9-yl-5-(3-carbazol-9-yl-5-cyanophenyl)benzonitrile;9-[3-cyano-5-(3-isocyanopyrido[3,4-b]indol-9-yl)phenyl]pyrido[3,4-b]indole-3-carbonitrile;9-[6-(3-isocyanocarbazol-9-yl)-2-pyridinyl]carbazole-3-carbonitrile;3-(3-isocyanocarbazol-9-yl)-5-pyrido[3,4-b]indol-9-ylbenzonitrile;9-[6-(3-isocyanopyrido[3,4-b]indol-9-yl)-2-pyridinyl]pyrido[3,4-b]indole-3-carbonitrile is sourced from PubChem (CID 159668080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).