9-phenyl-1,4,5-tris(1-phenylbenzimidazol-2-yl)-7-(3-phenylimidazo[4,5-b]pyridin-2-yl)carbazole

C69H44N10 — CID 23391350

IUPAC9-phenyl-1,4,5-tris(1-phenylbenzimidazol-2-yl)-7-(3-phenylimidazo[4,5-b]pyridin-2-yl)carbazole
SMILESc1ccc(-n2c(-c3cc(-c4nc5cccnc5n4-c4ccccc4)cc4c3c3c(-c5nc6ccccc6n5-c5ccccc5)ccc(-c5nc6ccccc6n5-c5ccccc5)c3n4-c3ccccc3)nc3ccccc32)cc1
InChIInChI=1S/C69H44N10/c1-6-23-46(24-7-1)75-61-44-45(65-74-57-36-22-42-70-69(57)79(65)50-31-14-5-15-32-50)43-53(68-73-56-35-18-21-39-60(56)78(68)49-29-12-4-13-30-49)62(61)63-51(66-71-54-33-16-19-37-58(54)76(66)47-25-8-2-9-26-47)40-41-52(64(63)75)67-72-55-34-17-20-38-59(55)77(67)48-27-10-3-11-28-48/h1-44H
InChIKeyAIDUBZUDTBWQCX-UHFFFAOYSA-N
MW1013.18 g/mol
LogP16.20
Rot. Bonds9

About 9-phenyl-1,4,5-tris(1-phenylbenzimidazol-2-yl)-7-(3-phenylimidazo[4,5-b]pyridin-2-yl)carbazole

9-phenyl-1,4,5-tris(1-phenylbenzimidazol-2-yl)-7-(3-phenylimidazo[4,5-b]pyridin-2-yl)carbazole (PubChem CID 23391350) has the molecular formula C69H44N10 and a molecular weight of 1013.18 g/mol. Its IUPAC name is 9-phenyl-1,4,5-tris(1-phenylbenzimidazol-2-yl)-7-(3-phenylimidazo[4,5-b]pyridin-2-yl)carbazole.

Molecular Properties

Compound Name9-phenyl-1,4,5-tris(1-phenylbenzimidazol-2-yl)-7-(3-phenylimidazo[4,5-b]pyridin-2-yl)carbazole
PubChem CID23391350
Molecular FormulaC69H44N10
Molecular Weight1013.18 g/mol
Exact Mass1012.38
IUPAC Name9-phenyl-1,4,5-tris(1-phenylbenzimidazol-2-yl)-7-(3-phenylimidazo[4,5-b]pyridin-2-yl)carbazole
SMILESc1ccc(-n2c(-c3cc(-c4nc5cccnc5n4-c4ccccc4)cc4c3c3c(-c5nc6ccccc6n5-c5ccccc5)ccc(-c5nc6ccccc6n5-c5ccccc5)c3n4-c3ccccc3)nc3ccccc32)cc1
InChIInChI=1S/C69H44N10/c1-6-23-46(24-7-1)75-61-44-45(65-74-57-36-22-42-70-69(57)79(65)50-31-14-5-15-32-50)43-53(68-73-56-35-18-21-39-60(56)78(68)49-29-12-4-13-30-49)62(61)63-51(66-71-54-33-16-19-37-58(54)76(66)47-25-8-2-9-26-47)40-41-52(64(63)75)67-72-55-34-17-20-38-59(55)77(67)48-27-10-3-11-28-48/h1-44H
InChIKeyAIDUBZUDTBWQCX-UHFFFAOYSA-N
XLogP16.20
TPSA89.10 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds9
Heavy Atoms79
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001013.18
LogP ≤ 516.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

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Related Compounds

6-Imidazo[1,2-a]pyridin-2-yl-4-methyl-2-propyl-1-[2''-(1H-tetrazol-5-yl)-biphenyl-4-ylmethyl]-1H-benzoimidazole
CID 10052528
4-methyl-2-propyl-6-pyridin-2-yl-1-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]benzimidazole
CID 10480536
1-Benzyl-2-[1-[3-(2-methylimidazol-1-yl)propyl]-5-phenyl-2-propan-2-ylpyrrol-3-yl]benzimidazole
CID 90644543
4-methyl-6-(1-methylbenzimidazol-2-yl)-2-propyl-1-[[1-[2-(2H-tetrazol-5-yl)phenyl]indol-4-yl]methyl]benzimidazole
CID 127053316
US11649237, Example 215
CID 137525288
1-[[4-[2-(1H-imidazol-2-yl)phenyl]phenyl]methyl]-4-methyl-6-(1-methylbenzimidazol-2-yl)-2-propylbenzimidazole
CID 44563174
8-(3-Benzylbenzimidazol-5-yl)-6-(1-cyclohexylbenzimidazol-5-yl)imidazo[1,2-a]pyrazine
CID 155809517
8-(3-Benzylbenzimidazol-5-yl)-6-(4-ethylphenyl)imidazo[1,2-a]pyrazine
CID 155809518
US11649237, Example 205
CID 137524901
US11649237, Example 156
CID 137525021
US11649237, Example 204
CID 137525189
US11649237, Example 206
CID 137525246

Frequently Asked Questions

What is the IUPAC name of 9-phenyl-1,4,5-tris(1-phenylbenzimidazol-2-yl)-7-(3-phenylimidazo[4,5-b]pyridin-2-yl)carbazole?
The IUPAC name of 9-phenyl-1,4,5-tris(1-phenylbenzimidazol-2-yl)-7-(3-phenylimidazo[4,5-b]pyridin-2-yl)carbazole (CID 23391350) is 9-phenyl-1,4,5-tris(1-phenylbenzimidazol-2-yl)-7-(3-phenylimidazo[4,5-b]pyridin-2-yl)carbazole.
What is the SMILES notation for 9-phenyl-1,4,5-tris(1-phenylbenzimidazol-2-yl)-7-(3-phenylimidazo[4,5-b]pyridin-2-yl)carbazole?
The canonical SMILES for 9-phenyl-1,4,5-tris(1-phenylbenzimidazol-2-yl)-7-(3-phenylimidazo[4,5-b]pyridin-2-yl)carbazole is c1ccc(-n2c(-c3cc(-c4nc5cccnc5n4-c4ccccc4)cc4c3c3c(-c5nc6ccccc6n5-c5ccccc5)ccc(-c5nc6ccccc6n5-c5ccccc5)c3n4-c3ccccc3)nc3ccccc32)cc1.
What is the InChIKey of 9-phenyl-1,4,5-tris(1-phenylbenzimidazol-2-yl)-7-(3-phenylimidazo[4,5-b]pyridin-2-yl)carbazole?
The InChIKey is AIDUBZUDTBWQCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C69H44N10/c1-6-23-46(24-7-1)75-61-44-45(65-74-57-36-22-42-70-69(57)79(65)50-31-14-5-15-32-50)43-53(68-73-56-35-18-21-39-60(56)78(68)49-29-12-4-13-30-49)62(61)63-51(66-71-54-33-16-19-37-58(54)76(66)47-25-8-2-9-26-47)40-41-52(64(63)75)67-72-55-34-17-20-38-59(55)77(67)48-27-10-3-11-28-48/h1-44H.
What are the key properties of 9-phenyl-1,4,5-tris(1-phenylbenzimidazol-2-yl)-7-(3-phenylimidazo[4,5-b]pyridin-2-yl)carbazole?
9-phenyl-1,4,5-tris(1-phenylbenzimidazol-2-yl)-7-(3-phenylimidazo[4,5-b]pyridin-2-yl)carbazole has a molecular weight of 1013.18 g/mol, XLogP of 16.20, 9 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 9-phenyl-1,4,5-tris(1-phenylbenzimidazol-2-yl)-7-(3-phenylimidazo[4,5-b]pyridin-2-yl)carbazole is sourced from PubChem (CID 23391350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).