4-(3-butan-2-yl-6-propan-2-ylcarbazol-9-yl)-N-methyl-N-phenylaniline

C32H34N2 — CID 70858222

IUPAC4-(3-butan-2-yl-6-propan-2-ylcarbazol-9-yl)-N-methyl-N-phenylaniline
SMILESCCC(C)c1ccc2c(c1)c1cc(C(C)C)ccc1n2-c1ccc(N(C)c2ccccc2)cc1
InChIInChI=1S/C32H34N2/c1-6-23(4)25-13-19-32-30(21-25)29-20-24(22(2)3)12-18-31(29)34(32)28-16-14-27(15-17-28)33(5)26-10-8-7-9-11-26/h7-23H,6H2,1-5H3
InChIKeyMCHLJSSYZYDCRV-UHFFFAOYSA-N
MW446.64 g/mol
LogP9.19
Rot. Bonds6

About 4-(3-butan-2-yl-6-propan-2-ylcarbazol-9-yl)-N-methyl-N-phenylaniline

4-(3-butan-2-yl-6-propan-2-ylcarbazol-9-yl)-N-methyl-N-phenylaniline (PubChem CID 70858222) has the molecular formula C32H34N2 and a molecular weight of 446.64 g/mol. Its IUPAC name is 4-(3-butan-2-yl-6-propan-2-ylcarbazol-9-yl)-N-methyl-N-phenylaniline.

Molecular Properties

Compound Name4-(3-butan-2-yl-6-propan-2-ylcarbazol-9-yl)-N-methyl-N-phenylaniline
PubChem CID70858222
Molecular FormulaC32H34N2
Molecular Weight446.64 g/mol
Exact Mass446.27
IUPAC Name4-(3-butan-2-yl-6-propan-2-ylcarbazol-9-yl)-N-methyl-N-phenylaniline
SMILESCCC(C)c1ccc2c(c1)c1cc(C(C)C)ccc1n2-c1ccc(N(C)c2ccccc2)cc1
InChIInChI=1S/C32H34N2/c1-6-23(4)25-13-19-32-30(21-25)29-20-24(22(2)3)12-18-31(29)34(32)28-16-14-27(15-17-28)33(5)26-10-8-7-9-11-26/h7-23H,6H2,1-5H3
InChIKeyMCHLJSSYZYDCRV-UHFFFAOYSA-N
XLogP9.19
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500446.64
LogP ≤ 59.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 4-(3-butan-2-yl-6-propan-2-ylcarbazol-9-yl)-N-methyl-N-phenylaniline 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

4-(3-butan-2-yl-6-ethylcarbazol-9-yl)-N-methyl-N-phenylaniline
CID 70858265
4-(3,6-diethylcarbazol-9-yl)-N-methyl-N-phenylaniline;4-[3,6-di(propan-2-yl)carbazol-9-yl]-N-methyl-N-phenylaniline;4-(3,6-dipropylcarbazol-9-yl)-N-methyl-N-phenylaniline
CID 157255945
4-[6-[4-(4-butan-2-ylphenyl)phenyl]-9-(4-propan-2-ylphenyl)carbazol-3-yl]-N,N-diphenylaniline;N-[4-[6-[4-(4-butan-2-ylphenyl)phenyl]-9-(4-propan-2-ylphenyl)carbazol-3-yl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 161492117
3-butan-2-yl-9-phenylcarbazole
CID 23520668
3-N-(6-butan-2-yl-9-phenylcarbazol-3-yl)-6-N-(6-tert-butyl-9-phenylcarbazol-3-yl)-3-N,6-N,9-triphenylcarbazole-3,6-diamine
CID 89336918
3-(3-butan-2-ylcarbazol-9-yl)-N,N-diphenylaniline
CID 163736875
4-(6-butan-2-yl-9-phenylcarbazol-3-yl)-N-phenyl-N-[4-(10-phenylanthracen-9-yl)phenyl]aniline
CID 59828050
6-butan-2-yl-N-methyl-N-phenyl-9-prop-1-en-2-ylcarbazol-3-amine;prop-1-ene
CID 143650255
N-(4-butan-2-ylphenyl)-N-(4-carbazol-9-ylphenyl)naphthalen-2-amine
CID 59747054
4-[3-ethyl-6-(3-methylbutyl)carbazol-9-yl]-N-methyl-N-phenylaniline
CID 163723844
N-[4-[6-(4-butan-2-ylphenyl)-9-phenylcarbazol-3-yl]phenyl]-N-(4-phenylphenyl)naphthalen-2-amine
CID 154597309
6-pentan-2-yl-N,N-diphenyl-9-[4-[10-[4-[3-(N-phenylanilino)carbazol-9-yl]phenyl]anthracen-9-yl]phenyl]carbazol-3-amine
CID 152855009

Frequently Asked Questions

What is the IUPAC name of 4-(3-butan-2-yl-6-propan-2-ylcarbazol-9-yl)-N-methyl-N-phenylaniline?
The IUPAC name of 4-(3-butan-2-yl-6-propan-2-ylcarbazol-9-yl)-N-methyl-N-phenylaniline (CID 70858222) is 4-(3-butan-2-yl-6-propan-2-ylcarbazol-9-yl)-N-methyl-N-phenylaniline.
What is the SMILES notation for 4-(3-butan-2-yl-6-propan-2-ylcarbazol-9-yl)-N-methyl-N-phenylaniline?
The canonical SMILES for 4-(3-butan-2-yl-6-propan-2-ylcarbazol-9-yl)-N-methyl-N-phenylaniline is CCC(C)c1ccc2c(c1)c1cc(C(C)C)ccc1n2-c1ccc(N(C)c2ccccc2)cc1.
What is the InChIKey of 4-(3-butan-2-yl-6-propan-2-ylcarbazol-9-yl)-N-methyl-N-phenylaniline?
The InChIKey is MCHLJSSYZYDCRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H34N2/c1-6-23(4)25-13-19-32-30(21-25)29-20-24(22(2)3)12-18-31(29)34(32)28-16-14-27(15-17-28)33(5)26-10-8-7-9-11-26/h7-23H,6H2,1-5H3.
What are the key properties of 4-(3-butan-2-yl-6-propan-2-ylcarbazol-9-yl)-N-methyl-N-phenylaniline?
4-(3-butan-2-yl-6-propan-2-ylcarbazol-9-yl)-N-methyl-N-phenylaniline has a molecular weight of 446.64 g/mol, XLogP of 9.19, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-butan-2-yl-6-propan-2-ylcarbazol-9-yl)-N-methyl-N-phenylaniline is sourced from PubChem (CID 70858222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).