6-tert-butyl-2-[2-(9H-carbazol-1-yl)-1-phenylbenzimidazol-4-yl]-9-(4-propan-2-yl-2-pyridinyl)carbazole

C49H41N5 — CID 176643493

IUPAC6-tert-butyl-2-[2-(9H-carbazol-1-yl)-1-phenylbenzimidazol-4-yl]-9-(4-propan-2-yl-2-pyridinyl)carbazole
SMILESCC(C)c1ccnc(-n2c3ccc(C(C)(C)C)cc3c3ccc(-c4cccc5c4nc(-c4cccc6c4[nH]c4ccccc46)n5-c4ccccc4)cc32)c1
InChIInChI=1S/C49H41N5/c1-30(2)31-25-26-50-45(28-31)54-42-24-22-33(49(3,4)5)29-40(42)37-23-21-32(27-44(37)54)35-16-12-20-43-47(35)52-48(53(43)34-13-7-6-8-14-34)39-18-11-17-38-36-15-9-10-19-41(36)51-46(38)39/h6-30,51H,1-5H3
InChIKeyNSKPCNHLVOEYQF-UHFFFAOYSA-N
MW699.90 g/mol
LogP12.91
Rot. Bonds5

About 6-tert-butyl-2-[2-(9H-carbazol-1-yl)-1-phenylbenzimidazol-4-yl]-9-(4-propan-2-yl-2-pyridinyl)carbazole

6-tert-butyl-2-[2-(9H-carbazol-1-yl)-1-phenylbenzimidazol-4-yl]-9-(4-propan-2-yl-2-pyridinyl)carbazole (PubChem CID 176643493) has the molecular formula C49H41N5 and a molecular weight of 699.90 g/mol. Its IUPAC name is 6-tert-butyl-2-[2-(9H-carbazol-1-yl)-1-phenylbenzimidazol-4-yl]-9-(4-propan-2-yl-2-pyridinyl)carbazole.

Molecular Properties

Compound Name6-tert-butyl-2-[2-(9H-carbazol-1-yl)-1-phenylbenzimidazol-4-yl]-9-(4-propan-2-yl-2-pyridinyl)carbazole
PubChem CID176643493
Molecular FormulaC49H41N5
Molecular Weight699.90 g/mol
Exact Mass699.34
IUPAC Name6-tert-butyl-2-[2-(9H-carbazol-1-yl)-1-phenylbenzimidazol-4-yl]-9-(4-propan-2-yl-2-pyridinyl)carbazole
SMILESCC(C)c1ccnc(-n2c3ccc(C(C)(C)C)cc3c3ccc(-c4cccc5c4nc(-c4cccc6c4[nH]c4ccccc46)n5-c4ccccc4)cc32)c1
InChIInChI=1S/C49H41N5/c1-30(2)31-25-26-50-45(28-31)54-42-24-22-33(49(3,4)5)29-40(42)37-23-21-32(27-44(37)54)35-16-12-20-43-47(35)52-48(53(43)34-13-7-6-8-14-34)39-18-11-17-38-36-15-9-10-19-41(36)51-46(38)39/h6-30,51H,1-5H3
InChIKeyNSKPCNHLVOEYQF-UHFFFAOYSA-N
XLogP12.91
TPSA51.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500699.90
LogP ≤ 512.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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
2-[2-(9H-carbazol-1-yl)-1-phenylbenzimidazol-4-yl]-9-(4-methyl-2-pyridinyl)-7-(2-phenylpropan-2-yl)carbazole
CID 176642732
2-tert-butyl-9-(4-tert-butyl-2-pyridinyl)-7-[1-(4-methylphenyl)-2-(3-phenyl-9H-carbazol-1-yl)benzimidazol-4-yl]carbazole
CID 176643042
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
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-phenylbenzimidazol-4-yl]-9-pyridin-2-yl-6-pyridin-4-ylcarbazole
CID 176642525
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
7-[2-(9H-carbazol-1-yl)-1-phenylbenzimidazol-4-yl]-3-[difluoro(phenyl)methyl]-1-methyl-9-pyridin-2-ylcarbazole
CID 176643262
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-(3,4-dimethylphenyl)benzimidazol-4-yl]-9-pyridin-2-ylcarbazole
CID 176642472

Frequently Asked Questions

What is the IUPAC name of 6-tert-butyl-2-[2-(9H-carbazol-1-yl)-1-phenylbenzimidazol-4-yl]-9-(4-propan-2-yl-2-pyridinyl)carbazole?
The IUPAC name of 6-tert-butyl-2-[2-(9H-carbazol-1-yl)-1-phenylbenzimidazol-4-yl]-9-(4-propan-2-yl-2-pyridinyl)carbazole (CID 176643493) is 6-tert-butyl-2-[2-(9H-carbazol-1-yl)-1-phenylbenzimidazol-4-yl]-9-(4-propan-2-yl-2-pyridinyl)carbazole.
What is the SMILES notation for 6-tert-butyl-2-[2-(9H-carbazol-1-yl)-1-phenylbenzimidazol-4-yl]-9-(4-propan-2-yl-2-pyridinyl)carbazole?
The canonical SMILES for 6-tert-butyl-2-[2-(9H-carbazol-1-yl)-1-phenylbenzimidazol-4-yl]-9-(4-propan-2-yl-2-pyridinyl)carbazole is CC(C)c1ccnc(-n2c3ccc(C(C)(C)C)cc3c3ccc(-c4cccc5c4nc(-c4cccc6c4[nH]c4ccccc46)n5-c4ccccc4)cc32)c1.
What is the InChIKey of 6-tert-butyl-2-[2-(9H-carbazol-1-yl)-1-phenylbenzimidazol-4-yl]-9-(4-propan-2-yl-2-pyridinyl)carbazole?
The InChIKey is NSKPCNHLVOEYQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H41N5/c1-30(2)31-25-26-50-45(28-31)54-42-24-22-33(49(3,4)5)29-40(42)37-23-21-32(27-44(37)54)35-16-12-20-43-47(35)52-48(53(43)34-13-7-6-8-14-34)39-18-11-17-38-36-15-9-10-19-41(36)51-46(38)39/h6-30,51H,1-5H3.
What are the key properties of 6-tert-butyl-2-[2-(9H-carbazol-1-yl)-1-phenylbenzimidazol-4-yl]-9-(4-propan-2-yl-2-pyridinyl)carbazole?
6-tert-butyl-2-[2-(9H-carbazol-1-yl)-1-phenylbenzimidazol-4-yl]-9-(4-propan-2-yl-2-pyridinyl)carbazole has a molecular weight of 699.90 g/mol, XLogP of 12.91, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-tert-butyl-2-[2-(9H-carbazol-1-yl)-1-phenylbenzimidazol-4-yl]-9-(4-propan-2-yl-2-pyridinyl)carbazole is sourced from PubChem (CID 176643493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).