9-methyl-1-(2-phenylbenzimidazol-1-yl)-2,4-di(propan-2-yl)carbazole

C32H31N3 — CID 58401014

IUPAC9-methyl-1-(2-phenylbenzimidazol-1-yl)-2,4-di(propan-2-yl)carbazole
SMILESCC(C)c1cc(C(C)C)c2c3ccccc3n(C)c2c1-n1c(-c2ccccc2)nc2ccccc21
InChIInChI=1S/C32H31N3/c1-20(2)24-19-25(21(3)4)30(31-29(24)23-15-9-11-17-27(23)34(31)5)35-28-18-12-10-16-26(28)33-32(35)22-13-7-6-8-14-22/h6-21H,1-5H3
InChIKeyXHCNJVPIOAYQFX-UHFFFAOYSA-N
MW457.62 g/mol
LogP8.58
Rot. Bonds4

About 9-methyl-1-(2-phenylbenzimidazol-1-yl)-2,4-di(propan-2-yl)carbazole

9-methyl-1-(2-phenylbenzimidazol-1-yl)-2,4-di(propan-2-yl)carbazole (PubChem CID 58401014) has the molecular formula C32H31N3 and a molecular weight of 457.62 g/mol. Its IUPAC name is 9-methyl-1-(2-phenylbenzimidazol-1-yl)-2,4-di(propan-2-yl)carbazole.

Molecular Properties

Compound Name9-methyl-1-(2-phenylbenzimidazol-1-yl)-2,4-di(propan-2-yl)carbazole
PubChem CID58401014
Molecular FormulaC32H31N3
Molecular Weight457.62 g/mol
Exact Mass457.25
IUPAC Name9-methyl-1-(2-phenylbenzimidazol-1-yl)-2,4-di(propan-2-yl)carbazole
SMILESCC(C)c1cc(C(C)C)c2c3ccccc3n(C)c2c1-n1c(-c2ccccc2)nc2ccccc21
InChIInChI=1S/C32H31N3/c1-20(2)24-19-25(21(3)4)30(31-29(24)23-15-9-11-17-27(23)34(31)5)35-28-18-12-10-16-26(28)33-32(35)22-13-7-6-8-14-22/h6-21H,1-5H3
InChIKeyXHCNJVPIOAYQFX-UHFFFAOYSA-N
XLogP8.58
TPSA22.75 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500457.62
LogP ≤ 58.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

9-methyl-4-(2-phenylbenzimidazol-1-yl)-1,3-di(propan-2-yl)carbazole
CID 58400928
2-(4-methyldibenzofuran-2-yl)-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]benzimidazole
CID 156658716
1-[2,6-bis(2-deuteriopropan-2-yl)phenyl]-2-phenylbenzimidazole
CID 166043849
2-dibenzofuran-2-yl-1-[2,6-di(propan-2-yl)phenyl]benzimidazole
CID 156656991
2-(8-methyldibenzothiophen-2-yl)-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]benzimidazole
CID 156657347
1-[4-phenyl-2,6-di(propan-2-yl)phenyl]-2-(8-propan-2-yldibenzothiophen-2-yl)benzimidazole
CID 156660137
3-[1-[2,6-di(propan-2-yl)phenyl]benzimidazol-2-yl]-9-ethyl-1-methylcarbazole
CID 156658357
1-[2,6-di(propan-2-yl)phenyl]-2-[3-[[3-[1-[2,6-di(propan-2-yl)phenyl]benzimidazol-2-yl]phenyl]-diphenylmethyl]phenyl]benzimidazole
CID 140593746
2-(21-oxapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaen-19-yl)-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]benzimidazole
CID 171461671
2-(2,4-diphenyl-1-benzofuran-6-yl)-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]benzimidazole
CID 170517078
8-[1-[4-phenyl-2,6-di(propan-2-yl)phenyl]benzimidazol-2-yl]dibenzothiophene-2-carbonitrile
CID 158365026
1-[2,6-di(propan-2-yl)phenyl]-2-(9-thiapentacyclo[11.8.0.02,10.03,8.014,19]henicosa-1(13),2(10),3(8),4,6,11,14,16,18,20-decaen-5-yl)benzimidazole
CID 156657637

Frequently Asked Questions

What is the IUPAC name of 9-methyl-1-(2-phenylbenzimidazol-1-yl)-2,4-di(propan-2-yl)carbazole?
The IUPAC name of 9-methyl-1-(2-phenylbenzimidazol-1-yl)-2,4-di(propan-2-yl)carbazole (CID 58401014) is 9-methyl-1-(2-phenylbenzimidazol-1-yl)-2,4-di(propan-2-yl)carbazole.
What is the SMILES notation for 9-methyl-1-(2-phenylbenzimidazol-1-yl)-2,4-di(propan-2-yl)carbazole?
The canonical SMILES for 9-methyl-1-(2-phenylbenzimidazol-1-yl)-2,4-di(propan-2-yl)carbazole is CC(C)c1cc(C(C)C)c2c3ccccc3n(C)c2c1-n1c(-c2ccccc2)nc2ccccc21.
What is the InChIKey of 9-methyl-1-(2-phenylbenzimidazol-1-yl)-2,4-di(propan-2-yl)carbazole?
The InChIKey is XHCNJVPIOAYQFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H31N3/c1-20(2)24-19-25(21(3)4)30(31-29(24)23-15-9-11-17-27(23)34(31)5)35-28-18-12-10-16-26(28)33-32(35)22-13-7-6-8-14-22/h6-21H,1-5H3.
What are the key properties of 9-methyl-1-(2-phenylbenzimidazol-1-yl)-2,4-di(propan-2-yl)carbazole?
9-methyl-1-(2-phenylbenzimidazol-1-yl)-2,4-di(propan-2-yl)carbazole has a molecular weight of 457.62 g/mol, XLogP of 8.58, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-methyl-1-(2-phenylbenzimidazol-1-yl)-2,4-di(propan-2-yl)carbazole is sourced from PubChem (CID 58401014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).