3-[1-[2,6-di(propan-2-yl)phenyl]benzimidazol-2-yl]-9-ethyl-1-methylcarbazole

C34H35N3 — CID 156658357

IUPAC3-[1-[2,6-di(propan-2-yl)phenyl]benzimidazol-2-yl]-9-ethyl-1-methylcarbazole
SMILESCCn1c2ccccc2c2cc(-c3nc4ccccc4n3-c3c(C(C)C)cccc3C(C)C)cc(C)c21
InChIInChI=1S/C34H35N3/c1-7-36-30-17-10-8-13-27(30)28-20-24(19-23(6)32(28)36)34-35-29-16-9-11-18-31(29)37(34)33-25(21(2)3)14-12-15-26(33)22(4)5/h8-22H,7H2,1-6H3
InChIKeyYUVHRHOYZFHYPQ-UHFFFAOYSA-N
MW485.68 g/mol
LogP9.38
Rot. Bonds5

About 3-[1-[2,6-di(propan-2-yl)phenyl]benzimidazol-2-yl]-9-ethyl-1-methylcarbazole

3-[1-[2,6-di(propan-2-yl)phenyl]benzimidazol-2-yl]-9-ethyl-1-methylcarbazole (PubChem CID 156658357) has the molecular formula C34H35N3 and a molecular weight of 485.68 g/mol. Its IUPAC name is 3-[1-[2,6-di(propan-2-yl)phenyl]benzimidazol-2-yl]-9-ethyl-1-methylcarbazole.

Molecular Properties

Compound Name3-[1-[2,6-di(propan-2-yl)phenyl]benzimidazol-2-yl]-9-ethyl-1-methylcarbazole
PubChem CID156658357
Molecular FormulaC34H35N3
Molecular Weight485.68 g/mol
Exact Mass485.28
IUPAC Name3-[1-[2,6-di(propan-2-yl)phenyl]benzimidazol-2-yl]-9-ethyl-1-methylcarbazole
SMILESCCn1c2ccccc2c2cc(-c3nc4ccccc4n3-c3c(C(C)C)cccc3C(C)C)cc(C)c21
InChIInChI=1S/C34H35N3/c1-7-36-30-17-10-8-13-27(30)28-20-24(19-23(6)32(28)36)34-35-29-16-9-11-18-31(29)37(34)33-25(21(2)3)14-12-15-26(33)22(4)5/h8-22H,7H2,1-6H3
InChIKeyYUVHRHOYZFHYPQ-UHFFFAOYSA-N
XLogP9.38
TPSA22.75 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500485.68
LogP ≤ 59.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-dibenzofuran-2-yl-1-[2,6-di(propan-2-yl)phenyl]benzimidazole
CID 156656991
6-[1-[2,6-di(propan-2-yl)phenyl]benzimidazol-2-yl]-[1]benzofuro[2,3-b]pyridine
CID 129021034
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
3-[1-[2,6-di(propan-2-yl)phenyl]benzimidazol-2-yl]benzonitrile
CID 169301226
9-methyl-4-(2-phenylbenzimidazol-1-yl)-1,3-di(propan-2-yl)carbazole
CID 58400928
9-methyl-1-(2-phenylbenzimidazol-1-yl)-2,4-di(propan-2-yl)carbazole
CID 58401014
2-(4-methyldibenzofuran-2-yl)-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]benzimidazole
CID 156658716
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
1-[2,6-di(propan-2-yl)phenyl]-2-(17-thiahexacyclo[12.11.0.02,11.05,10.016,24.018,23]pentacosa-1(25),2(11),3,5,7,9,12,14,16(24),18(23),19,21-dodecaen-21-yl)benzimidazole
CID 167355085
1-[2,6-di(propan-2-yl)phenyl]-2-[3-[[3-[1-[2,6-di(propan-2-yl)phenyl]imidazol-2-yl]phenyl]methyl]phenyl]benzimidazole
CID 158295187
1-[2,6-di(propan-2-yl)phenyl]-2-(4-fluoro-2-methylphenyl)benzimidazole
CID 170293664
1-[2,6-di(propan-2-yl)phenyl]-2-[3-[3-(1-phenylbenzimidazol-2-yl)phenyl]sulfanylphenyl]benzimidazole
CID 140593650

Frequently Asked Questions

What is the IUPAC name of 3-[1-[2,6-di(propan-2-yl)phenyl]benzimidazol-2-yl]-9-ethyl-1-methylcarbazole?
The IUPAC name of 3-[1-[2,6-di(propan-2-yl)phenyl]benzimidazol-2-yl]-9-ethyl-1-methylcarbazole (CID 156658357) is 3-[1-[2,6-di(propan-2-yl)phenyl]benzimidazol-2-yl]-9-ethyl-1-methylcarbazole.
What is the SMILES notation for 3-[1-[2,6-di(propan-2-yl)phenyl]benzimidazol-2-yl]-9-ethyl-1-methylcarbazole?
The canonical SMILES for 3-[1-[2,6-di(propan-2-yl)phenyl]benzimidazol-2-yl]-9-ethyl-1-methylcarbazole is CCn1c2ccccc2c2cc(-c3nc4ccccc4n3-c3c(C(C)C)cccc3C(C)C)cc(C)c21.
What is the InChIKey of 3-[1-[2,6-di(propan-2-yl)phenyl]benzimidazol-2-yl]-9-ethyl-1-methylcarbazole?
The InChIKey is YUVHRHOYZFHYPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H35N3/c1-7-36-30-17-10-8-13-27(30)28-20-24(19-23(6)32(28)36)34-35-29-16-9-11-18-31(29)37(34)33-25(21(2)3)14-12-15-26(33)22(4)5/h8-22H,7H2,1-6H3.
What are the key properties of 3-[1-[2,6-di(propan-2-yl)phenyl]benzimidazol-2-yl]-9-ethyl-1-methylcarbazole?
3-[1-[2,6-di(propan-2-yl)phenyl]benzimidazol-2-yl]-9-ethyl-1-methylcarbazole has a molecular weight of 485.68 g/mol, XLogP of 9.38, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[2,6-di(propan-2-yl)phenyl]benzimidazol-2-yl]-9-ethyl-1-methylcarbazole is sourced from PubChem (CID 156658357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).