9-(1-methylimidazol-2-yl)-2-[2-[4-phenyl-2,6-di(propan-2-yl)phenyl]-3-pyridin-2-ylbenzimidazol-5-yl]carbazole

C46H40N6 — CID 140889806

IUPAC9-(1-methylimidazol-2-yl)-2-[2-[4-phenyl-2,6-di(propan-2-yl)phenyl]-3-pyridin-2-ylbenzimidazol-5-yl]carbazole
SMILESCC(C)c1cc(-c2ccccc2)cc(C(C)C)c1-c1nc2ccc(-c3ccc4c5ccccc5n(-c5nccn5C)c4c3)cc2n1-c1ccccn1
InChIInChI=1S/C46H40N6/c1-29(2)37-25-34(31-13-7-6-8-14-31)26-38(30(3)4)44(37)45-49-39-21-19-33(28-42(39)52(45)43-17-11-12-22-47-43)32-18-20-36-35-15-9-10-16-40(35)51(41(36)27-32)46-48-23-24-50(46)5/h6-30H,1-5H3
InChIKeyWRELSYHNHDLSEC-UHFFFAOYSA-N
MW676.87 g/mol
LogP11.50
Rot. Bonds7

About 9-(1-methylimidazol-2-yl)-2-[2-[4-phenyl-2,6-di(propan-2-yl)phenyl]-3-pyridin-2-ylbenzimidazol-5-yl]carbazole

9-(1-methylimidazol-2-yl)-2-[2-[4-phenyl-2,6-di(propan-2-yl)phenyl]-3-pyridin-2-ylbenzimidazol-5-yl]carbazole (PubChem CID 140889806) has the molecular formula C46H40N6 and a molecular weight of 676.87 g/mol. Its IUPAC name is 9-(1-methylimidazol-2-yl)-2-[2-[4-phenyl-2,6-di(propan-2-yl)phenyl]-3-pyridin-2-ylbenzimidazol-5-yl]carbazole.

Molecular Properties

Compound Name9-(1-methylimidazol-2-yl)-2-[2-[4-phenyl-2,6-di(propan-2-yl)phenyl]-3-pyridin-2-ylbenzimidazol-5-yl]carbazole
PubChem CID140889806
Molecular FormulaC46H40N6
Molecular Weight676.87 g/mol
Exact Mass676.33
IUPAC Name9-(1-methylimidazol-2-yl)-2-[2-[4-phenyl-2,6-di(propan-2-yl)phenyl]-3-pyridin-2-ylbenzimidazol-5-yl]carbazole
SMILESCC(C)c1cc(-c2ccccc2)cc(C(C)C)c1-c1nc2ccc(-c3ccc4c5ccccc5n(-c5nccn5C)c4c3)cc2n1-c1ccccn1
InChIInChI=1S/C46H40N6/c1-29(2)37-25-34(31-13-7-6-8-14-31)26-38(30(3)4)44(37)45-49-39-21-19-33(28-42(39)52(45)43-17-11-12-22-47-43)32-18-20-36-35-15-9-10-16-40(35)51(41(36)27-32)46-48-23-24-50(46)5/h6-30H,1-5H3
InChIKeyWRELSYHNHDLSEC-UHFFFAOYSA-N
XLogP11.50
TPSA53.46 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500676.87
LogP ≤ 511.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

5-(1-methylbenzimidazol-2-yl)-7-[3-phenyl-2-[4-phenyl-2,6-di(propan-2-yl)phenyl]imidazo[4,5-b]pyridin-5-yl]indolo[2,3-b]carbazole
CID 140889854
2-[1-methyl-6-(4-phenylphenyl)benzimidazol-2-yl]-9-[3-(4-phenylphenyl)-5-pyridin-2-ylphenyl]carbazole
CID 153285674
formonitrile;2-(1-methylimidazol-2-yl)-9-pyridin-2-ylcarbazole;platinum(2+)
CID 71478924
3,7-diphenyl-5-pyridin-2-ylindolo[2,3-b]carbazole
CID 149342051
2-phenyl-9-(9-pyridin-2-ylcarbazol-2-yl)carbazole
CID 71478701
2-phenyl-1-pyridin-2-ylbenzimidazole
CID 134960173
2-(1-methyl-6-pyridin-2-ylbenzimidazol-2-yl)-9-(3-pyridin-2-ylphenyl)carbazole
CID 153285337
2-methoxy-9-(1-methylimidazol-2-yl)carbazole
CID 162492208
2-[4-phenyl-2,6-di(propan-2-yl)phenyl]-6-pyridin-2-yloxy-1-(3-pyridin-2-ylphenyl)benzimidazole
CID 140889830
3,5,19-triphenyl-22-pyridin-2-yl-4,6,22-triazahexacyclo[11.11.0.02,6.07,12.015,23.016,21]tetracosa-1(24),2,4,7,9,11,13,15(23),16(21),17,19-undecaene
CID 162483755
2-[3-isocyano-5-[1-[4-phenyl-2,6-di(propan-2-yl)phenyl]imidazol-2-yl]phenoxy]-9-pyridin-2-ylcarbazole
CID 155635930
1-phenyl-2-[4-phenyl-2,6-di(propan-2-yl)phenyl]-6-[(6-pyrazol-1-yl-2-pyridinyl)oxy]benzimidazole
CID 140889772

Frequently Asked Questions

What is the IUPAC name of 9-(1-methylimidazol-2-yl)-2-[2-[4-phenyl-2,6-di(propan-2-yl)phenyl]-3-pyridin-2-ylbenzimidazol-5-yl]carbazole?
The IUPAC name of 9-(1-methylimidazol-2-yl)-2-[2-[4-phenyl-2,6-di(propan-2-yl)phenyl]-3-pyridin-2-ylbenzimidazol-5-yl]carbazole (CID 140889806) is 9-(1-methylimidazol-2-yl)-2-[2-[4-phenyl-2,6-di(propan-2-yl)phenyl]-3-pyridin-2-ylbenzimidazol-5-yl]carbazole.
What is the SMILES notation for 9-(1-methylimidazol-2-yl)-2-[2-[4-phenyl-2,6-di(propan-2-yl)phenyl]-3-pyridin-2-ylbenzimidazol-5-yl]carbazole?
The canonical SMILES for 9-(1-methylimidazol-2-yl)-2-[2-[4-phenyl-2,6-di(propan-2-yl)phenyl]-3-pyridin-2-ylbenzimidazol-5-yl]carbazole is CC(C)c1cc(-c2ccccc2)cc(C(C)C)c1-c1nc2ccc(-c3ccc4c5ccccc5n(-c5nccn5C)c4c3)cc2n1-c1ccccn1.
What is the InChIKey of 9-(1-methylimidazol-2-yl)-2-[2-[4-phenyl-2,6-di(propan-2-yl)phenyl]-3-pyridin-2-ylbenzimidazol-5-yl]carbazole?
The InChIKey is WRELSYHNHDLSEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H40N6/c1-29(2)37-25-34(31-13-7-6-8-14-31)26-38(30(3)4)44(37)45-49-39-21-19-33(28-42(39)52(45)43-17-11-12-22-47-43)32-18-20-36-35-15-9-10-16-40(35)51(41(36)27-32)46-48-23-24-50(46)5/h6-30H,1-5H3.
What are the key properties of 9-(1-methylimidazol-2-yl)-2-[2-[4-phenyl-2,6-di(propan-2-yl)phenyl]-3-pyridin-2-ylbenzimidazol-5-yl]carbazole?
9-(1-methylimidazol-2-yl)-2-[2-[4-phenyl-2,6-di(propan-2-yl)phenyl]-3-pyridin-2-ylbenzimidazol-5-yl]carbazole has a molecular weight of 676.87 g/mol, XLogP of 11.50, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(1-methylimidazol-2-yl)-2-[2-[4-phenyl-2,6-di(propan-2-yl)phenyl]-3-pyridin-2-ylbenzimidazol-5-yl]carbazole is sourced from PubChem (CID 140889806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).