2-[3-(3-propan-2-yl-2H-benzimidazol-1-yl)phenoxy]-9-[4-(2-propan-2-ylphenyl)-2-pyridinyl]carbazole

C42H38N4O — CID 167401803

IUPAC2-[3-(3-propan-2-yl-2H-benzimidazol-1-yl)phenoxy]-9-[4-(2-propan-2-ylphenyl)-2-pyridinyl]carbazole
SMILESCC(C)c1ccccc1-c1ccnc(-n2c3ccccc3c3ccc(Oc4cccc(N5CN(C(C)C)c6ccccc65)c4)cc32)c1
InChIInChI=1S/C42H38N4O/c1-28(2)34-14-5-6-15-35(34)30-22-23-43-42(24-30)46-38-17-8-7-16-36(38)37-21-20-33(26-41(37)46)47-32-13-11-12-31(25-32)45-27-44(29(3)4)39-18-9-10-19-40(39)45/h5-26,28-29H,27H2,1-4H3
InChIKeyMSIVCGJWRLPKLC-UHFFFAOYSA-N
MW614.79 g/mol
LogP11.09
Rot. Bonds7

About 2-[3-(3-propan-2-yl-2H-benzimidazol-1-yl)phenoxy]-9-[4-(2-propan-2-ylphenyl)-2-pyridinyl]carbazole

2-[3-(3-propan-2-yl-2H-benzimidazol-1-yl)phenoxy]-9-[4-(2-propan-2-ylphenyl)-2-pyridinyl]carbazole (PubChem CID 167401803) has the molecular formula C42H38N4O and a molecular weight of 614.79 g/mol. Its IUPAC name is 2-[3-(3-propan-2-yl-2H-benzimidazol-1-yl)phenoxy]-9-[4-(2-propan-2-ylphenyl)-2-pyridinyl]carbazole.

Molecular Properties

Compound Name2-[3-(3-propan-2-yl-2H-benzimidazol-1-yl)phenoxy]-9-[4-(2-propan-2-ylphenyl)-2-pyridinyl]carbazole
PubChem CID167401803
Molecular FormulaC42H38N4O
Molecular Weight614.79 g/mol
Exact Mass614.30
IUPAC Name2-[3-(3-propan-2-yl-2H-benzimidazol-1-yl)phenoxy]-9-[4-(2-propan-2-ylphenyl)-2-pyridinyl]carbazole
SMILESCC(C)c1ccccc1-c1ccnc(-n2c3ccccc3c3ccc(Oc4cccc(N5CN(C(C)C)c6ccccc65)c4)cc32)c1
InChIInChI=1S/C42H38N4O/c1-28(2)34-14-5-6-15-35(34)30-22-23-43-42(24-30)46-38-17-8-7-16-36(38)37-21-20-33(26-41(37)46)47-32-13-11-12-31(25-32)45-27-44(29(3)4)39-18-9-10-19-40(39)45/h5-26,28-29H,27H2,1-4H3
InChIKeyMSIVCGJWRLPKLC-UHFFFAOYSA-N
XLogP11.09
TPSA33.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500614.79
LogP ≤ 511.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[2-[3-(3-propan-2-yl-2H-benzimidazol-1-yl)phenyl]propan-2-yl]-9-[4-(2-propan-2-ylphenyl)-2-pyridinyl]carbazole
CID 167382062
2-[3-(3-phenyl-2H-benzimidazol-1-yl)phenoxy]-9-(4-phenyl-2-pyridinyl)carbazole
CID 167401547
dimethyl-[9-[4-(2-phenylphenyl)-2-pyridinyl]carbazol-2-yl]-[3-(3-propan-2-yl-2H-benzimidazol-1-yl)phenyl]silane
CID 167382436
2-[3-[3-methyl-4-(4-methylphenyl)-2H-benzimidazol-1-yl]phenoxy]-9-[4-(2-phenylphenyl)-2-pyridinyl]carbazole
CID 163748784
2-[9-[3-(3-phenyl-2H-benzimidazol-1-yl)phenyl]fluoren-9-yl]-9-[4-(2-propan-2-ylphenyl)-2-pyridinyl]carbazole
CID 167401736
2-[3-[3-[2,6-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]-2H-benzimidazol-1-yl]phenoxy]-9-[4-[2,4,6-tri(propan-2-yl)phenoxy]-2-pyridinyl]carbazole
CID 170671651
9-[4-(2-propan-2-ylphenyl)-2-pyridinyl]-2-[3-[3-(trideuteriomethyl)-2H-benzimidazol-1-yl]phenyl]sulfanylcarbazole
CID 167401543
2-[3-[3-[3,5-di(propan-2-yl)phenyl]-2H-benzimidazol-1-yl]phenoxy]-9-[4-(2-phenylphenyl)-2-pyridinyl]-4-propan-2-ylcarbazole
CID 163621083
9-[4-(2,6-diphenylphenyl)-2-pyridinyl]-2-[3-[3-(trideuteriomethyl)-2H-benzimidazol-1-yl]phenoxy]carbazole
CID 167401517
dimethyl-[9-[4-(2-propan-2-ylphenyl)-2-pyridinyl]carbazol-2-yl]-[3-[3-(trideuteriomethyl)-2H-benzimidazol-1-yl]phenyl]silane
CID 167381737
N-phenyl-N-[3-(3-propan-2-yl-2H-benzimidazol-1-yl)benzene-2-id-1-yl]-9-[4-(2-propan-2-ylphenyl)-2-pyridinyl]-1H-carbazol-1-id-2-amine;platinum(2+)
CID 167382386
2-[3-[3-[2,6-bis(3,5-difluorophenyl)phenyl]-2H-benzimidazol-1-yl]-5-(2-propan-2-ylphenyl)phenoxy]-9-(4-tert-butyl-2-pyridinyl)carbazole
CID 172530590

Frequently Asked Questions

What is the IUPAC name of 2-[3-(3-propan-2-yl-2H-benzimidazol-1-yl)phenoxy]-9-[4-(2-propan-2-ylphenyl)-2-pyridinyl]carbazole?
The IUPAC name of 2-[3-(3-propan-2-yl-2H-benzimidazol-1-yl)phenoxy]-9-[4-(2-propan-2-ylphenyl)-2-pyridinyl]carbazole (CID 167401803) is 2-[3-(3-propan-2-yl-2H-benzimidazol-1-yl)phenoxy]-9-[4-(2-propan-2-ylphenyl)-2-pyridinyl]carbazole.
What is the SMILES notation for 2-[3-(3-propan-2-yl-2H-benzimidazol-1-yl)phenoxy]-9-[4-(2-propan-2-ylphenyl)-2-pyridinyl]carbazole?
The canonical SMILES for 2-[3-(3-propan-2-yl-2H-benzimidazol-1-yl)phenoxy]-9-[4-(2-propan-2-ylphenyl)-2-pyridinyl]carbazole is CC(C)c1ccccc1-c1ccnc(-n2c3ccccc3c3ccc(Oc4cccc(N5CN(C(C)C)c6ccccc65)c4)cc32)c1.
What is the InChIKey of 2-[3-(3-propan-2-yl-2H-benzimidazol-1-yl)phenoxy]-9-[4-(2-propan-2-ylphenyl)-2-pyridinyl]carbazole?
The InChIKey is MSIVCGJWRLPKLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H38N4O/c1-28(2)34-14-5-6-15-35(34)30-22-23-43-42(24-30)46-38-17-8-7-16-36(38)37-21-20-33(26-41(37)46)47-32-13-11-12-31(25-32)45-27-44(29(3)4)39-18-9-10-19-40(39)45/h5-26,28-29H,27H2,1-4H3.
What are the key properties of 2-[3-(3-propan-2-yl-2H-benzimidazol-1-yl)phenoxy]-9-[4-(2-propan-2-ylphenyl)-2-pyridinyl]carbazole?
2-[3-(3-propan-2-yl-2H-benzimidazol-1-yl)phenoxy]-9-[4-(2-propan-2-ylphenyl)-2-pyridinyl]carbazole has a molecular weight of 614.79 g/mol, XLogP of 11.09, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(3-propan-2-yl-2H-benzimidazol-1-yl)phenoxy]-9-[4-(2-propan-2-ylphenyl)-2-pyridinyl]carbazole is sourced from PubChem (CID 167401803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).