5-[2-(3,6-diphenylcarbazol-9-yl)-4-(2-methylphenyl)-5,6-bis(pyrido[4,3-b]indol-5-yl)-3-pyridinyl]pyrido[4,3-b]indole

C69H44N8 — CID 151566908

IUPAC5-[2-(3,6-diphenylcarbazol-9-yl)-4-(2-methylphenyl)-5,6-bis(pyrido[4,3-b]indol-5-yl)-3-pyridinyl]pyrido[4,3-b]indole
SMILESCc1ccccc1-c1c(-n2c3ccccc3c3cnccc32)c(-n2c3ccccc3c3cnccc32)nc(-n2c3ccc(-c4ccccc4)cc3c3cc(-c4ccccc4)ccc32)c1-n1c2ccccc2c2cnccc21
InChIInChI=1S/C69H44N8/c1-43-16-8-9-21-48(43)65-66(74-57-25-13-10-22-49(57)54-40-70-35-32-62(54)74)68(76-59-27-15-12-24-51(59)56-42-72-37-34-64(56)76)73-69(67(65)75-58-26-14-11-23-50(58)55-41-71-36-33-63(55)75)77-60-30-28-46(44-17-4-2-5-18-44)38-52(60)53-39-47(29-31-61(53)77)45-19-6-3-7-20-45/h2-42H,1H3
InChIKeyQDPSPXSDFCUNIO-UHFFFAOYSA-N
MW985.17 g/mol
LogP16.96
Rot. Bonds7

About 5-[2-(3,6-diphenylcarbazol-9-yl)-4-(2-methylphenyl)-5,6-bis(pyrido[4,3-b]indol-5-yl)-3-pyridinyl]pyrido[4,3-b]indole

5-[2-(3,6-diphenylcarbazol-9-yl)-4-(2-methylphenyl)-5,6-bis(pyrido[4,3-b]indol-5-yl)-3-pyridinyl]pyrido[4,3-b]indole (PubChem CID 151566908) has the molecular formula C69H44N8 and a molecular weight of 985.17 g/mol. Its IUPAC name is 5-[2-(3,6-diphenylcarbazol-9-yl)-4-(2-methylphenyl)-5,6-bis(pyrido[4,3-b]indol-5-yl)-3-pyridinyl]pyrido[4,3-b]indole.

Molecular Properties

Compound Name5-[2-(3,6-diphenylcarbazol-9-yl)-4-(2-methylphenyl)-5,6-bis(pyrido[4,3-b]indol-5-yl)-3-pyridinyl]pyrido[4,3-b]indole
PubChem CID151566908
Molecular FormulaC69H44N8
Molecular Weight985.17 g/mol
Exact Mass984.37
IUPAC Name5-[2-(3,6-diphenylcarbazol-9-yl)-4-(2-methylphenyl)-5,6-bis(pyrido[4,3-b]indol-5-yl)-3-pyridinyl]pyrido[4,3-b]indole
SMILESCc1ccccc1-c1c(-n2c3ccccc3c3cnccc32)c(-n2c3ccccc3c3cnccc32)nc(-n2c3ccc(-c4ccccc4)cc3c3cc(-c4ccccc4)ccc32)c1-n1c2ccccc2c2cnccc21
InChIInChI=1S/C69H44N8/c1-43-16-8-9-21-48(43)65-66(74-57-25-13-10-22-49(57)54-40-70-35-32-62(54)74)68(76-59-27-15-12-24-51(59)56-42-72-37-34-64(56)76)73-69(67(65)75-58-26-14-11-23-50(58)55-41-71-36-33-63(55)75)77-60-30-28-46(44-17-4-2-5-18-44)38-52(60)53-39-47(29-31-61(53)77)45-19-6-3-7-20-45/h2-42H,1H3
InChIKeyQDPSPXSDFCUNIO-UHFFFAOYSA-N
XLogP16.96
TPSA71.28 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms77
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500985.17
LogP ≤ 516.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 5-[2-(3,6-diphenylcarbazol-9-yl)-4-(2-methylphenyl)-5,6-bis(pyrido[4,3-b]indol-5-yl)-3-pyridinyl]pyrido[4,3-b]indole with MolForge

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Related Compounds

5-[4-dibenzothiophen-4-yl-2,6-bis(3,6-diphenylcarbazol-9-yl)-5-pyrido[4,3-b]indol-5-yl-3-pyridinyl]pyrido[4,3-b]indole
CID 150006227
3,6-diphenyl-9-[3,5,6-tri(carbazol-9-yl)-4-pyridin-4-yl-2-pyridinyl]carbazole
CID 146511865
5-[4-[2-(2,6-dimethyl-4-pyridinyl)phenyl]-2,5,6-tris(pyrido[4,3-b]indol-5-yl)-3-pyridinyl]pyrido[4,3-b]indole
CID 150579110
9-[2,6-di(carbazol-9-yl)-5-(3,6-diphenylcarbazol-9-yl)-4-pyridin-2-yl-3-pyridinyl]-3,6-diphenylcarbazole
CID 137368341
2,3,5,6-tetrakis(3,6-diphenylcarbazol-9-yl)-4-(2-pyrido[4,3-b]indol-5-ylphenyl)benzonitrile
CID 139507191
5-(3-carbazol-9-ylphenyl)-8-phenylpyrido[4,3-b]indole
CID 170060228
5-[2-carbazol-9-yl-4-dibenzofuran-2-yl-5,6-bis(pyrido[4,3-b]indol-5-yl)-3-pyridinyl]pyrido[4,3-b]indole;9-phenyl-3-[2,3,5,6-tetra(carbazol-9-yl)-4-pyridinyl]carbazole
CID 160655506
9-[3,6-bis(3,6-dimethylcarbazol-9-yl)-5-(3,6-diphenylcarbazol-9-yl)-4-pyridin-4-yl-2-pyridinyl]-3,6-diphenylcarbazole
CID 142508353
9-[2-carbazol-9-yl-4-dibenzofuran-4-yl-5,6-bis(3,6-diphenylcarbazol-9-yl)-3-pyridinyl]-3,6-diphenylcarbazole
CID 150433689
3-[2,3,5,6-tetrakis(pyrido[4,3-b]indol-5-yl)-4-pyridinyl]benzonitrile
CID 170438068
8-[4-(3-carbazol-9-ylcarbazol-9-yl)phenyl]-5-phenylpyrido[4,3-b]indole
CID 170060405
9-[2,5,6-tri(carbazol-9-yl)-4-(2-pyridin-4-ylphenyl)-3-pyridinyl]carbazole
CID 151269669

Frequently Asked Questions

What is the IUPAC name of 5-[2-(3,6-diphenylcarbazol-9-yl)-4-(2-methylphenyl)-5,6-bis(pyrido[4,3-b]indol-5-yl)-3-pyridinyl]pyrido[4,3-b]indole?
The IUPAC name of 5-[2-(3,6-diphenylcarbazol-9-yl)-4-(2-methylphenyl)-5,6-bis(pyrido[4,3-b]indol-5-yl)-3-pyridinyl]pyrido[4,3-b]indole (CID 151566908) is 5-[2-(3,6-diphenylcarbazol-9-yl)-4-(2-methylphenyl)-5,6-bis(pyrido[4,3-b]indol-5-yl)-3-pyridinyl]pyrido[4,3-b]indole.
What is the SMILES notation for 5-[2-(3,6-diphenylcarbazol-9-yl)-4-(2-methylphenyl)-5,6-bis(pyrido[4,3-b]indol-5-yl)-3-pyridinyl]pyrido[4,3-b]indole?
The canonical SMILES for 5-[2-(3,6-diphenylcarbazol-9-yl)-4-(2-methylphenyl)-5,6-bis(pyrido[4,3-b]indol-5-yl)-3-pyridinyl]pyrido[4,3-b]indole is Cc1ccccc1-c1c(-n2c3ccccc3c3cnccc32)c(-n2c3ccccc3c3cnccc32)nc(-n2c3ccc(-c4ccccc4)cc3c3cc(-c4ccccc4)ccc32)c1-n1c2ccccc2c2cnccc21.
What is the InChIKey of 5-[2-(3,6-diphenylcarbazol-9-yl)-4-(2-methylphenyl)-5,6-bis(pyrido[4,3-b]indol-5-yl)-3-pyridinyl]pyrido[4,3-b]indole?
The InChIKey is QDPSPXSDFCUNIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C69H44N8/c1-43-16-8-9-21-48(43)65-66(74-57-25-13-10-22-49(57)54-40-70-35-32-62(54)74)68(76-59-27-15-12-24-51(59)56-42-72-37-34-64(56)76)73-69(67(65)75-58-26-14-11-23-50(58)55-41-71-36-33-63(55)75)77-60-30-28-46(44-17-4-2-5-18-44)38-52(60)53-39-47(29-31-61(53)77)45-19-6-3-7-20-45/h2-42H,1H3.
What are the key properties of 5-[2-(3,6-diphenylcarbazol-9-yl)-4-(2-methylphenyl)-5,6-bis(pyrido[4,3-b]indol-5-yl)-3-pyridinyl]pyrido[4,3-b]indole?
5-[2-(3,6-diphenylcarbazol-9-yl)-4-(2-methylphenyl)-5,6-bis(pyrido[4,3-b]indol-5-yl)-3-pyridinyl]pyrido[4,3-b]indole has a molecular weight of 985.17 g/mol, XLogP of 16.96, 7 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(3,6-diphenylcarbazol-9-yl)-4-(2-methylphenyl)-5,6-bis(pyrido[4,3-b]indol-5-yl)-3-pyridinyl]pyrido[4,3-b]indole is sourced from PubChem (CID 151566908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).