9-[1-phenyl-2-[7-phenyl-3,4-di(propan-2-yl)-9H-carbazol-1-yl]benzimidazol-4-yl]-7-pyridin-2-yl-[1]benzofuro[2,3-b]carbazole

C60H45N5O — CID 176643352

IUPAC9-[1-phenyl-2-[7-phenyl-3,4-di(propan-2-yl)-9H-carbazol-1-yl]benzimidazol-4-yl]-7-pyridin-2-yl-[1]benzofuro[2,3-b]carbazole
SMILESCC(C)c1cc(-c2nc3c(-c4ccc5c6cc7c(cc6n(-c6ccccn6)c5c4)oc4ccccc47)cccc3n2-c2ccccc2)c2[nH]c3cc(-c4ccccc4)ccc3c2c1C(C)C
InChIInChI=1S/C60H45N5O/c1-35(2)45-32-48(59-57(56(45)36(3)4)44-28-25-38(30-49(44)62-59)37-16-7-5-8-17-37)60-63-58-41(21-15-22-50(58)64(60)40-18-9-6-10-19-40)39-26-27-42-46-33-47-43-20-11-12-23-53(43)66-54(47)34-52(46)65(51(42)31-39)55-24-13-14-29-61-55/h5-36,62H,1-4H3
InChIKeyMLQPYYDDZQXXCE-UHFFFAOYSA-N
MW852.05 g/mol
LogP16.30
Rot. Bonds7

About 9-[1-phenyl-2-[7-phenyl-3,4-di(propan-2-yl)-9H-carbazol-1-yl]benzimidazol-4-yl]-7-pyridin-2-yl-[1]benzofuro[2,3-b]carbazole

9-[1-phenyl-2-[7-phenyl-3,4-di(propan-2-yl)-9H-carbazol-1-yl]benzimidazol-4-yl]-7-pyridin-2-yl-[1]benzofuro[2,3-b]carbazole (PubChem CID 176643352) has the molecular formula C60H45N5O and a molecular weight of 852.05 g/mol. Its IUPAC name is 9-[1-phenyl-2-[7-phenyl-3,4-di(propan-2-yl)-9H-carbazol-1-yl]benzimidazol-4-yl]-7-pyridin-2-yl-[1]benzofuro[2,3-b]carbazole.

Molecular Properties

Compound Name9-[1-phenyl-2-[7-phenyl-3,4-di(propan-2-yl)-9H-carbazol-1-yl]benzimidazol-4-yl]-7-pyridin-2-yl-[1]benzofuro[2,3-b]carbazole
PubChem CID176643352
Molecular FormulaC60H45N5O
Molecular Weight852.05 g/mol
Exact Mass851.36
IUPAC Name9-[1-phenyl-2-[7-phenyl-3,4-di(propan-2-yl)-9H-carbazol-1-yl]benzimidazol-4-yl]-7-pyridin-2-yl-[1]benzofuro[2,3-b]carbazole
SMILESCC(C)c1cc(-c2nc3c(-c4ccc5c6cc7c(cc6n(-c6ccccn6)c5c4)oc4ccccc47)cccc3n2-c2ccccc2)c2[nH]c3cc(-c4ccccc4)ccc3c2c1C(C)C
InChIInChI=1S/C60H45N5O/c1-35(2)45-32-48(59-57(56(45)36(3)4)44-28-25-38(30-49(44)62-59)37-16-7-5-8-17-37)60-63-58-41(21-15-22-50(58)64(60)40-18-9-6-10-19-40)39-26-27-42-46-33-47-43-20-11-12-23-53(43)66-54(47)34-52(46)65(51(42)31-39)55-24-13-14-29-61-55/h5-36,62H,1-4H3
InChIKeyMLQPYYDDZQXXCE-UHFFFAOYSA-N
XLogP16.30
TPSA64.57 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms66
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500852.05
LogP ≤ 516.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[1-phenyl-4-(9-pyridin-2-ylcarbazol-2-yl)benzimidazol-2-yl]-5H-[1]benzofuro[3,2-c]carbazole
CID 176642464
9-[1-(3-tert-butylphenyl)-2-(9H-carbazol-1-yl)benzimidazol-4-yl]-7-[4-(trifluoromethyl)-2-pyridinyl]-[1]benzofuro[2,3-b]carbazole
CID 176642476
2-[2-(9H-carbazol-1-yl)-1-(3-methylphenyl)benzimidazol-4-yl]-9-pyridin-2-ylcarbazole
CID 176643522
2-[2-(9H-carbazol-1-yl)-6-methyl-1-phenylbenzimidazol-4-yl]-9-pyridin-2-ylcarbazole
CID 176642444
2-[2-(9H-carbazol-1-yl)-1-[3-(2-phenylpropan-2-yl)phenyl]benzimidazol-4-yl]-9-pyridin-2-ylcarbazole
CID 176642564
2-[2-(9H-carbazol-1-yl)-1-(3,4-dimethylphenyl)benzimidazol-4-yl]-9-pyridin-2-ylcarbazole
CID 176642472
7-[2-(9H-carbazol-1-yl)-1-phenylbenzimidazol-4-yl]-3-[difluoro(phenyl)methyl]-1-methyl-9-pyridin-2-ylcarbazole
CID 176643262
9-(4-tert-butyl-2-pyridinyl)-2-[2-(9H-carbazol-1-yl)-1-phenylbenzimidazol-4-yl]-6-[2,6-di(propan-2-yl)phenyl]carbazole
CID 176642782
6-tert-butyl-2-[2-(9H-carbazol-1-yl)-1-phenylbenzimidazol-4-yl]-9-(4-propan-2-yl-2-pyridinyl)carbazole
CID 176643493
3-[2-(9H-carbazol-1-yl)-1-phenylbenzimidazol-4-yl]-9,9-dimethyl-6-phenyl-10-pyridin-2-ylacridine
CID 176643376
2-[2-(9H-carbazol-1-yl)-1-phenylbenzimidazol-4-yl]-9-[4-(2,4,6-trimethylphenyl)-2-pyridinyl]carbazole
CID 176643299
7-[2-(9H-carbazol-1-yl)-1-phenylbenzimidazol-4-yl]-9-(4-methyl-2-pyridinyl)-2-propan-2-yl-4-(trifluoromethyl)carbazole
CID 176643504

Frequently Asked Questions

What is the IUPAC name of 9-[1-phenyl-2-[7-phenyl-3,4-di(propan-2-yl)-9H-carbazol-1-yl]benzimidazol-4-yl]-7-pyridin-2-yl-[1]benzofuro[2,3-b]carbazole?
The IUPAC name of 9-[1-phenyl-2-[7-phenyl-3,4-di(propan-2-yl)-9H-carbazol-1-yl]benzimidazol-4-yl]-7-pyridin-2-yl-[1]benzofuro[2,3-b]carbazole (CID 176643352) is 9-[1-phenyl-2-[7-phenyl-3,4-di(propan-2-yl)-9H-carbazol-1-yl]benzimidazol-4-yl]-7-pyridin-2-yl-[1]benzofuro[2,3-b]carbazole.
What is the SMILES notation for 9-[1-phenyl-2-[7-phenyl-3,4-di(propan-2-yl)-9H-carbazol-1-yl]benzimidazol-4-yl]-7-pyridin-2-yl-[1]benzofuro[2,3-b]carbazole?
The canonical SMILES for 9-[1-phenyl-2-[7-phenyl-3,4-di(propan-2-yl)-9H-carbazol-1-yl]benzimidazol-4-yl]-7-pyridin-2-yl-[1]benzofuro[2,3-b]carbazole is CC(C)c1cc(-c2nc3c(-c4ccc5c6cc7c(cc6n(-c6ccccn6)c5c4)oc4ccccc47)cccc3n2-c2ccccc2)c2[nH]c3cc(-c4ccccc4)ccc3c2c1C(C)C.
What is the InChIKey of 9-[1-phenyl-2-[7-phenyl-3,4-di(propan-2-yl)-9H-carbazol-1-yl]benzimidazol-4-yl]-7-pyridin-2-yl-[1]benzofuro[2,3-b]carbazole?
The InChIKey is MLQPYYDDZQXXCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H45N5O/c1-35(2)45-32-48(59-57(56(45)36(3)4)44-28-25-38(30-49(44)62-59)37-16-7-5-8-17-37)60-63-58-41(21-15-22-50(58)64(60)40-18-9-6-10-19-40)39-26-27-42-46-33-47-43-20-11-12-23-53(43)66-54(47)34-52(46)65(51(42)31-39)55-24-13-14-29-61-55/h5-36,62H,1-4H3.
What are the key properties of 9-[1-phenyl-2-[7-phenyl-3,4-di(propan-2-yl)-9H-carbazol-1-yl]benzimidazol-4-yl]-7-pyridin-2-yl-[1]benzofuro[2,3-b]carbazole?
9-[1-phenyl-2-[7-phenyl-3,4-di(propan-2-yl)-9H-carbazol-1-yl]benzimidazol-4-yl]-7-pyridin-2-yl-[1]benzofuro[2,3-b]carbazole has a molecular weight of 852.05 g/mol, XLogP of 16.30, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[1-phenyl-2-[7-phenyl-3,4-di(propan-2-yl)-9H-carbazol-1-yl]benzimidazol-4-yl]-7-pyridin-2-yl-[1]benzofuro[2,3-b]carbazole is sourced from PubChem (CID 176643352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).