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

C31H32N2 — CID 70858265

IUPAC4-(3-butan-2-yl-6-ethylcarbazol-9-yl)-N-methyl-N-phenylaniline
SMILESCCc1ccc2c(c1)c1cc(C(C)CC)ccc1n2-c1ccc(N(C)c2ccccc2)cc1
InChIInChI=1S/C31H32N2/c1-5-22(3)24-13-19-31-29(21-24)28-20-23(6-2)12-18-30(28)33(31)27-16-14-26(15-17-27)32(4)25-10-8-7-9-11-25/h7-22H,5-6H2,1-4H3
InChIKeyQJNVYUYMBCRBMC-UHFFFAOYSA-N
MW432.61 g/mol
LogP8.63
Rot. Bonds6

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

4-(3-butan-2-yl-6-ethylcarbazol-9-yl)-N-methyl-N-phenylaniline (PubChem CID 70858265) has the molecular formula C31H32N2 and a molecular weight of 432.61 g/mol. Its IUPAC name is 4-(3-butan-2-yl-6-ethylcarbazol-9-yl)-N-methyl-N-phenylaniline.

Molecular Properties

Compound Name4-(3-butan-2-yl-6-ethylcarbazol-9-yl)-N-methyl-N-phenylaniline
PubChem CID70858265
Molecular FormulaC31H32N2
Molecular Weight432.61 g/mol
Exact Mass432.26
IUPAC Name4-(3-butan-2-yl-6-ethylcarbazol-9-yl)-N-methyl-N-phenylaniline
SMILESCCc1ccc2c(c1)c1cc(C(C)CC)ccc1n2-c1ccc(N(C)c2ccccc2)cc1
InChIInChI=1S/C31H32N2/c1-5-22(3)24-13-19-31-29(21-24)28-20-23(6-2)12-18-30(28)33(31)27-16-14-26(15-17-27)32(4)25-10-8-7-9-11-25/h7-22H,5-6H2,1-4H3
InChIKeyQJNVYUYMBCRBMC-UHFFFAOYSA-N
XLogP8.63
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.61
LogP ≤ 58.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-(3-butan-2-yl-6-propan-2-ylcarbazol-9-yl)-N-methyl-N-phenylaniline
CID 70858222
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-[3-ethyl-6-(3-methylbutyl)carbazol-9-yl]-N-methyl-N-phenylaniline
CID 163723844
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-[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
4-[3,6-bis(2-methylpropyl)carbazol-9-yl]-N-methyl-N-phenylaniline;4-(3,6-ditert-butylcarbazol-9-yl)-N-methyl-N-phenylaniline
CID 157060893
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
6-butan-2-yl-N,9-diphenyl-N-[4-(10-phenylanthracen-9-yl)phenyl]carbazol-3-amine;6-butyl-N,9-diphenyl-N-[4-(10-phenylanthracen-9-yl)phenyl]carbazol-3-amine
CID 161258382
9-[4-(3,5-diphenyl-1,2,4-triazol-4-yl)phenyl]-3-ethyl-6-propan-2-ylcarbazole
CID 71050650

Frequently Asked Questions

What is the IUPAC name of 4-(3-butan-2-yl-6-ethylcarbazol-9-yl)-N-methyl-N-phenylaniline?
The IUPAC name of 4-(3-butan-2-yl-6-ethylcarbazol-9-yl)-N-methyl-N-phenylaniline (CID 70858265) is 4-(3-butan-2-yl-6-ethylcarbazol-9-yl)-N-methyl-N-phenylaniline.
What is the SMILES notation for 4-(3-butan-2-yl-6-ethylcarbazol-9-yl)-N-methyl-N-phenylaniline?
The canonical SMILES for 4-(3-butan-2-yl-6-ethylcarbazol-9-yl)-N-methyl-N-phenylaniline is CCc1ccc2c(c1)c1cc(C(C)CC)ccc1n2-c1ccc(N(C)c2ccccc2)cc1.
What is the InChIKey of 4-(3-butan-2-yl-6-ethylcarbazol-9-yl)-N-methyl-N-phenylaniline?
The InChIKey is QJNVYUYMBCRBMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H32N2/c1-5-22(3)24-13-19-31-29(21-24)28-20-23(6-2)12-18-30(28)33(31)27-16-14-26(15-17-27)32(4)25-10-8-7-9-11-25/h7-22H,5-6H2,1-4H3.
What are the key properties of 4-(3-butan-2-yl-6-ethylcarbazol-9-yl)-N-methyl-N-phenylaniline?
4-(3-butan-2-yl-6-ethylcarbazol-9-yl)-N-methyl-N-phenylaniline has a molecular weight of 432.61 g/mol, XLogP of 8.63, 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-ethylcarbazol-9-yl)-N-methyl-N-phenylaniline is sourced from PubChem (CID 70858265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).