2-(4-butylphenyl)-9-ethyl-6-methylcarbazole

C25H27N — CID 174691322

IUPAC2-(4-butylphenyl)-9-ethyl-6-methylcarbazole
SMILESCCCCc1ccc(-c2ccc3c4cc(C)ccc4n(CC)c3c2)cc1
InChIInChI=1S/C25H27N/c1-4-6-7-19-9-11-20(12-10-19)21-13-14-22-23-16-18(3)8-15-24(23)26(5-2)25(22)17-21/h8-17H,4-7H2,1-3H3
InChIKeyXQBPOQZTVOMBJT-UHFFFAOYSA-N
MW341.50 g/mol
LogP7.13
Rot. Bonds5

About 2-(4-butylphenyl)-9-ethyl-6-methylcarbazole

2-(4-butylphenyl)-9-ethyl-6-methylcarbazole (PubChem CID 174691322) has the molecular formula C25H27N and a molecular weight of 341.50 g/mol. Its IUPAC name is 2-(4-butylphenyl)-9-ethyl-6-methylcarbazole.

Molecular Properties

Compound Name2-(4-butylphenyl)-9-ethyl-6-methylcarbazole
PubChem CID174691322
Molecular FormulaC25H27N
Molecular Weight341.50 g/mol
Exact Mass341.21
IUPAC Name2-(4-butylphenyl)-9-ethyl-6-methylcarbazole
SMILESCCCCc1ccc(-c2ccc3c4cc(C)ccc4n(CC)c3c2)cc1
InChIInChI=1S/C25H27N/c1-4-6-7-19-9-11-20(12-10-19)21-13-14-22-23-16-18(3)8-15-24(23)26(5-2)25(22)17-21/h8-17H,4-7H2,1-3H3
InChIKeyXQBPOQZTVOMBJT-UHFFFAOYSA-N
XLogP7.13
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500341.50
LogP ≤ 57.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 2-(4-butylphenyl)-9-ethyl-6-methylcarbazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-(4-butylphenyl)-18-methyl-3,15-diazahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1(13),2(10),4(9),5,7,11,14(22),16(21),17,19,23-undecaene
CID 145017998
3-butyl-9-[4-(3-butyl-6-methylcarbazol-9-yl)phenyl]-6-methylcarbazole;N-[4-[4-(N-(4-butylphenyl)-4-methylanilino)phenyl]phenyl]-4-methyl-N-(4-methylphenyl)aniline
CID 123999534
9,10-bis[9,10-bis(4-decylphenyl)anthracen-2-yl]-2-methyl-6-[4-(4-methylphenyl)phenyl]anthracene
CID 59101775
5-(4-butylphenyl)-1,2,3-trimethylbenzene;1,2,3-trimethyl-5-(4-methylphenyl)benzene
CID 123525703
2-methyl-6-(4-octylphenyl)naphthalene
CID 59917182
4-butyl-N-(4-butylphenyl)-N-[4-(4-methylphenyl)phenyl]aniline
CID 58789445
9-butyl-2,7-dimethylcarbazole
CID 129212268
1-butyl-4-methylbenzene;N-methylmethanamine
CID 143818952
9-[[4-[(3,6-dimethylcarbazol-9-yl)methyl]phenyl]methyl]-3,6-dimethylcarbazole
CID 58883537
1-butyl-4-methylbenzene;trifluoroalumane
CID 175081213
2-[3-(4-butylphenyl)phenyl]-5-methylpyridine
CID 140633723
9-ethyl-3-[3-(2-methylphenyl)propyl]carbazole
CID 159633776

Frequently Asked Questions

What is the IUPAC name of 2-(4-butylphenyl)-9-ethyl-6-methylcarbazole?
The IUPAC name of 2-(4-butylphenyl)-9-ethyl-6-methylcarbazole (CID 174691322) is 2-(4-butylphenyl)-9-ethyl-6-methylcarbazole.
What is the SMILES notation for 2-(4-butylphenyl)-9-ethyl-6-methylcarbazole?
The canonical SMILES for 2-(4-butylphenyl)-9-ethyl-6-methylcarbazole is CCCCc1ccc(-c2ccc3c4cc(C)ccc4n(CC)c3c2)cc1.
What is the InChIKey of 2-(4-butylphenyl)-9-ethyl-6-methylcarbazole?
The InChIKey is XQBPOQZTVOMBJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N/c1-4-6-7-19-9-11-20(12-10-19)21-13-14-22-23-16-18(3)8-15-24(23)26(5-2)25(22)17-21/h8-17H,4-7H2,1-3H3.
What are the key properties of 2-(4-butylphenyl)-9-ethyl-6-methylcarbazole?
2-(4-butylphenyl)-9-ethyl-6-methylcarbazole has a molecular weight of 341.50 g/mol, XLogP of 7.13, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-butylphenyl)-9-ethyl-6-methylcarbazole is sourced from PubChem (CID 174691322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).