2-[3-(3-tert-butyl-2H-benzimidazol-1-yl)phenoxy]-9-[4-(2,6-dimethylphenyl)-2-pyridinyl]carbazole

C42H38N4O — CID 167401965

IUPAC2-[3-(3-tert-butyl-2H-benzimidazol-1-yl)phenoxy]-9-[4-(2,6-dimethylphenyl)-2-pyridinyl]carbazole
SMILESCc1cccc(C)c1-c1ccnc(-n2c3ccccc3c3ccc(Oc4cccc(N5CN(C(C)(C)C)c6ccccc65)c4)cc32)c1
InChIInChI=1S/C42H38N4O/c1-28-12-10-13-29(2)41(28)30-22-23-43-40(24-30)46-36-17-7-6-16-34(36)35-21-20-33(26-39(35)46)47-32-15-11-14-31(25-32)44-27-45(42(3,4)5)38-19-9-8-18-37(38)44/h6-26H,27H2,1-5H3
InChIKeyFFWWJDFUEVWSLJ-UHFFFAOYSA-N
MW614.79 g/mol
LogP10.97
Rot. Bonds5

About 2-[3-(3-tert-butyl-2H-benzimidazol-1-yl)phenoxy]-9-[4-(2,6-dimethylphenyl)-2-pyridinyl]carbazole

2-[3-(3-tert-butyl-2H-benzimidazol-1-yl)phenoxy]-9-[4-(2,6-dimethylphenyl)-2-pyridinyl]carbazole (PubChem CID 167401965) has the molecular formula C42H38N4O and a molecular weight of 614.79 g/mol. Its IUPAC name is 2-[3-(3-tert-butyl-2H-benzimidazol-1-yl)phenoxy]-9-[4-(2,6-dimethylphenyl)-2-pyridinyl]carbazole.

Molecular Properties

Compound Name2-[3-(3-tert-butyl-2H-benzimidazol-1-yl)phenoxy]-9-[4-(2,6-dimethylphenyl)-2-pyridinyl]carbazole
PubChem CID167401965
Molecular FormulaC42H38N4O
Molecular Weight614.79 g/mol
Exact Mass614.30
IUPAC Name2-[3-(3-tert-butyl-2H-benzimidazol-1-yl)phenoxy]-9-[4-(2,6-dimethylphenyl)-2-pyridinyl]carbazole
SMILESCc1cccc(C)c1-c1ccnc(-n2c3ccccc3c3ccc(Oc4cccc(N5CN(C(C)(C)C)c6ccccc65)c4)cc32)c1
InChIInChI=1S/C42H38N4O/c1-28-12-10-13-29(2)41(28)30-22-23-43-40(24-30)46-36-17-7-6-16-34(36)35-21-20-33(26-39(35)46)47-32-15-11-14-31(25-32)44-27-45(42(3,4)5)38-19-9-8-18-37(38)44/h6-26H,27H2,1-5H3
InChIKeyFFWWJDFUEVWSLJ-UHFFFAOYSA-N
XLogP10.97
TPSA33.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500614.79
LogP ≤ 510.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[3-[3-[2-(4-tert-butylphenyl)-3-methylphenyl]-2H-benzimidazol-1-yl]phenoxy]-9-(4-tert-butyl-2-pyridinyl)carbazole
CID 155651137
2-[3-(1-tert-butyl-2H-imidazo[4,5-c]pyridin-3-yl)phenoxy]-9-(4-tert-butyl-2-pyridinyl)carbazole
CID 176783389
2-[3-(3-phenyl-2H-benzimidazol-1-yl)phenoxy]-9-(4-phenyl-2-pyridinyl)carbazole
CID 167401547
2-tert-butyl-9-[4-[4-tert-butyl-2-methyl-6-(trideuteriomethyl)phenyl]-2-pyridinyl]-7-[3-[3-(3-tert-butylphenyl)-2H-benzimidazol-1-yl]phenoxy]carbazole
CID 163754768
[3-(3-tert-butyl-2H-benzimidazol-1-yl)phenyl]-dimethyl-[9-[4-(2-methylphenyl)-2-pyridinyl]carbazol-2-yl]silane
CID 167382172
1-[3-[9-[4-(2,6-dimethylphenyl)-2-pyridinyl]carbazol-2-yl]oxyphenyl]-3-(trideuteriomethyl)-2,1,3-benzoxadiazole
CID 160561549
5-tert-butyl-2-[3-(3-tert-butyl-2H-benzimidazol-1-yl)phenoxy]-9-(4-tert-butyl-2-pyridinyl)carbazole
CID 155623052
9-(4-tert-butyl-2-pyridinyl)-2-[3-[3-(3,5-dimethyl-2,6-diphenylphenyl)-2H-benzimidazol-1-yl]phenoxy]carbazole
CID 153490598
[3-(3-tert-butyl-2H-benzimidazol-1-yl)phenyl]-[9-[4-(2-methylphenyl)-2-pyridinyl]carbazol-2-yl]-diphenylsilane
CID 167381968
9-[4-(2,6-diphenylphenyl)-2-pyridinyl]-2-[3-[3-(trideuteriomethyl)-2H-benzimidazol-1-yl]phenoxy]carbazole
CID 167401517
[3-(3-tert-butyl-2H-benzimidazol-1-yl)phenyl]-dimethyl-[9-(4-phenyl-2-pyridinyl)carbazol-2-yl]silane
CID 167382846
9-[4-[4-tert-butyl-2-methyl-6-(trideuteriomethyl)phenyl]-2-pyridinyl]-2-[3-[3-(3-tert-butyl-5-phenylphenyl)-2H-benzimidazol-1-yl]phenoxy]-6-phenylcarbazole
CID 163602316

Frequently Asked Questions

What is the IUPAC name of 2-[3-(3-tert-butyl-2H-benzimidazol-1-yl)phenoxy]-9-[4-(2,6-dimethylphenyl)-2-pyridinyl]carbazole?
The IUPAC name of 2-[3-(3-tert-butyl-2H-benzimidazol-1-yl)phenoxy]-9-[4-(2,6-dimethylphenyl)-2-pyridinyl]carbazole (CID 167401965) is 2-[3-(3-tert-butyl-2H-benzimidazol-1-yl)phenoxy]-9-[4-(2,6-dimethylphenyl)-2-pyridinyl]carbazole.
What is the SMILES notation for 2-[3-(3-tert-butyl-2H-benzimidazol-1-yl)phenoxy]-9-[4-(2,6-dimethylphenyl)-2-pyridinyl]carbazole?
The canonical SMILES for 2-[3-(3-tert-butyl-2H-benzimidazol-1-yl)phenoxy]-9-[4-(2,6-dimethylphenyl)-2-pyridinyl]carbazole is Cc1cccc(C)c1-c1ccnc(-n2c3ccccc3c3ccc(Oc4cccc(N5CN(C(C)(C)C)c6ccccc65)c4)cc32)c1.
What is the InChIKey of 2-[3-(3-tert-butyl-2H-benzimidazol-1-yl)phenoxy]-9-[4-(2,6-dimethylphenyl)-2-pyridinyl]carbazole?
The InChIKey is FFWWJDFUEVWSLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H38N4O/c1-28-12-10-13-29(2)41(28)30-22-23-43-40(24-30)46-36-17-7-6-16-34(36)35-21-20-33(26-39(35)46)47-32-15-11-14-31(25-32)44-27-45(42(3,4)5)38-19-9-8-18-37(38)44/h6-26H,27H2,1-5H3.
What are the key properties of 2-[3-(3-tert-butyl-2H-benzimidazol-1-yl)phenoxy]-9-[4-(2,6-dimethylphenyl)-2-pyridinyl]carbazole?
2-[3-(3-tert-butyl-2H-benzimidazol-1-yl)phenoxy]-9-[4-(2,6-dimethylphenyl)-2-pyridinyl]carbazole has a molecular weight of 614.79 g/mol, XLogP of 10.97, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(3-tert-butyl-2H-benzimidazol-1-yl)phenoxy]-9-[4-(2,6-dimethylphenyl)-2-pyridinyl]carbazole is sourced from PubChem (CID 167401965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).