3-phenyl-2-[3-(1-phenylbenzimidazol-2-yl)-6,8-bis(3-phenylimidazo[4,5-b]pyridin-2-yl)pyren-1-yl]imidazo[4,5-b]pyridine

C65H39N11 — CID 23391267

IUPAC3-phenyl-2-[3-(1-phenylbenzimidazol-2-yl)-6,8-bis(3-phenylimidazo[4,5-b]pyridin-2-yl)pyren-1-yl]imidazo[4,5-b]pyridine
SMILESc1ccc(-n2c(-c3cc(-c4nc5cccnc5n4-c4ccccc4)c4ccc5c(-c6nc7cccnc7n6-c6ccccc6)cc(-c6nc7cccnc7n6-c6ccccc6)c6ccc3c4c65)nc3ccccc32)cc1
InChIInChI=1S/C65H39N11/c1-5-18-40(19-6-1)73-56-30-14-13-26-52(56)69-59(73)48-38-49(60-70-53-27-15-35-66-63(53)74(60)41-20-7-2-8-21-41)45-33-34-47-51(62-72-55-29-17-37-68-65(55)76(62)43-24-11-4-12-25-43)39-50(46-32-31-44(48)57(45)58(46)47)61-71-54-28-16-36-67-64(54)75(61)42-22-9-3-10-23-42/h1-39H
InChIKeyZKJSJSZZUPISPV-UHFFFAOYSA-N
MW974.10 g/mol
LogP14.79
Rot. Bonds8

About 3-phenyl-2-[3-(1-phenylbenzimidazol-2-yl)-6,8-bis(3-phenylimidazo[4,5-b]pyridin-2-yl)pyren-1-yl]imidazo[4,5-b]pyridine

3-phenyl-2-[3-(1-phenylbenzimidazol-2-yl)-6,8-bis(3-phenylimidazo[4,5-b]pyridin-2-yl)pyren-1-yl]imidazo[4,5-b]pyridine (PubChem CID 23391267) has the molecular formula C65H39N11 and a molecular weight of 974.10 g/mol. Its IUPAC name is 3-phenyl-2-[3-(1-phenylbenzimidazol-2-yl)-6,8-bis(3-phenylimidazo[4,5-b]pyridin-2-yl)pyren-1-yl]imidazo[4,5-b]pyridine.

Molecular Properties

Compound Name3-phenyl-2-[3-(1-phenylbenzimidazol-2-yl)-6,8-bis(3-phenylimidazo[4,5-b]pyridin-2-yl)pyren-1-yl]imidazo[4,5-b]pyridine
PubChem CID23391267
Molecular FormulaC65H39N11
Molecular Weight974.10 g/mol
Exact Mass973.34
IUPAC Name3-phenyl-2-[3-(1-phenylbenzimidazol-2-yl)-6,8-bis(3-phenylimidazo[4,5-b]pyridin-2-yl)pyren-1-yl]imidazo[4,5-b]pyridine
SMILESc1ccc(-n2c(-c3cc(-c4nc5cccnc5n4-c4ccccc4)c4ccc5c(-c6nc7cccnc7n6-c6ccccc6)cc(-c6nc7cccnc7n6-c6ccccc6)c6ccc3c4c65)nc3ccccc32)cc1
InChIInChI=1S/C65H39N11/c1-5-18-40(19-6-1)73-56-30-14-13-26-52(56)69-59(73)48-38-49(60-70-53-27-15-35-66-63(53)74(60)41-20-7-2-8-21-41)45-33-34-47-51(62-72-55-29-17-37-68-65(55)76(62)43-24-11-4-12-25-43)39-50(46-32-31-44(48)57(45)58(46)47)61-71-54-28-16-36-67-64(54)75(61)42-22-9-3-10-23-42/h1-39H
InChIKeyZKJSJSZZUPISPV-UHFFFAOYSA-N
XLogP14.79
TPSA109.95 Ų
H-Bond Donors
H-Bond Acceptors11
Rotatable Bonds8
Heavy Atoms76
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500974.10
LogP ≤ 514.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

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CID 10052528
6-((4-(2-(4-Tert-butylphenyl)imidazo[1,2-a]pyridin-8-yl)piperazin-1-yl)methyl)quinoxaline
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2-((4-(2-(4-Tert-butylphenyl)imidazo[1,2-a]pyridin-8-yl)piperazin-1-yl)methyl)quinoxaline
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7-Methyl-6-[1-(5-pyridin-4-ylimidazo[4,5-b]pyrazin-3-yl)ethyl]quinoline
CID 141370316
9-Fluoro-4-(4-naphthalen-2-ylmethyl-piperazin-1-yl)-pyrrolo[1,2-a]quinoxaline
CID 10740318
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CID 16196160
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CID 45488666
[2-methyl-1-[(E)-3-naphthalen-2-ylprop-2-enyl]imidazo[1,2-a]pyridin-4-ium-3-yl]-diphenyl-sulfanylidene-lambda5-phosphane bromide
CID 72736542
4,7-Bis[4-(4-methylpiperazin-1-yl)phenyl]pyrazino[1,2-a]benzimidazole
CID 76332387
7-Methyl-6-[1-(5-quinolin-3-ylimidazo[4,5-b]pyrazin-3-yl)ethyl]quinoline
CID 86566631
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Frequently Asked Questions

What is the IUPAC name of 3-phenyl-2-[3-(1-phenylbenzimidazol-2-yl)-6,8-bis(3-phenylimidazo[4,5-b]pyridin-2-yl)pyren-1-yl]imidazo[4,5-b]pyridine?
The IUPAC name of 3-phenyl-2-[3-(1-phenylbenzimidazol-2-yl)-6,8-bis(3-phenylimidazo[4,5-b]pyridin-2-yl)pyren-1-yl]imidazo[4,5-b]pyridine (CID 23391267) is 3-phenyl-2-[3-(1-phenylbenzimidazol-2-yl)-6,8-bis(3-phenylimidazo[4,5-b]pyridin-2-yl)pyren-1-yl]imidazo[4,5-b]pyridine.
What is the SMILES notation for 3-phenyl-2-[3-(1-phenylbenzimidazol-2-yl)-6,8-bis(3-phenylimidazo[4,5-b]pyridin-2-yl)pyren-1-yl]imidazo[4,5-b]pyridine?
The canonical SMILES for 3-phenyl-2-[3-(1-phenylbenzimidazol-2-yl)-6,8-bis(3-phenylimidazo[4,5-b]pyridin-2-yl)pyren-1-yl]imidazo[4,5-b]pyridine is c1ccc(-n2c(-c3cc(-c4nc5cccnc5n4-c4ccccc4)c4ccc5c(-c6nc7cccnc7n6-c6ccccc6)cc(-c6nc7cccnc7n6-c6ccccc6)c6ccc3c4c65)nc3ccccc32)cc1.
What is the InChIKey of 3-phenyl-2-[3-(1-phenylbenzimidazol-2-yl)-6,8-bis(3-phenylimidazo[4,5-b]pyridin-2-yl)pyren-1-yl]imidazo[4,5-b]pyridine?
The InChIKey is ZKJSJSZZUPISPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C65H39N11/c1-5-18-40(19-6-1)73-56-30-14-13-26-52(56)69-59(73)48-38-49(60-70-53-27-15-35-66-63(53)74(60)41-20-7-2-8-21-41)45-33-34-47-51(62-72-55-29-17-37-68-65(55)76(62)43-24-11-4-12-25-43)39-50(46-32-31-44(48)57(45)58(46)47)61-71-54-28-16-36-67-64(54)75(61)42-22-9-3-10-23-42/h1-39H.
What are the key properties of 3-phenyl-2-[3-(1-phenylbenzimidazol-2-yl)-6,8-bis(3-phenylimidazo[4,5-b]pyridin-2-yl)pyren-1-yl]imidazo[4,5-b]pyridine?
3-phenyl-2-[3-(1-phenylbenzimidazol-2-yl)-6,8-bis(3-phenylimidazo[4,5-b]pyridin-2-yl)pyren-1-yl]imidazo[4,5-b]pyridine has a molecular weight of 974.10 g/mol, XLogP of 14.79, 8 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-2-[3-(1-phenylbenzimidazol-2-yl)-6,8-bis(3-phenylimidazo[4,5-b]pyridin-2-yl)pyren-1-yl]imidazo[4,5-b]pyridine is sourced from PubChem (CID 23391267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).