N-[4-[3,6-bis(2-methylpropyl)carbazol-9-yl]cyclohexa-2,4-dien-1-yl]-N-methylaniline

C33H38N2 — CID 163918631

IUPACN-[4-[3,6-bis(2-methylpropyl)carbazol-9-yl]cyclohexa-2,4-dien-1-yl]-N-methylaniline
SMILESCC(C)Cc1ccc2c(c1)c1cc(CC(C)C)ccc1n2C1=CCC(N(C)c2ccccc2)C=C1
InChIInChI=1S/C33H38N2/c1-23(2)19-25-11-17-32-30(21-25)31-22-26(20-24(3)4)12-18-33(31)35(32)29-15-13-28(14-16-29)34(5)27-9-7-6-8-10-27/h6-13,15-18,21-24,28H,14,19-20H2,1-5H3
InChIKeyQYMDNDUBZONIMS-UHFFFAOYSA-N
MW462.68 g/mol
LogP8.50
Rot. Bonds7

About N-[4-[3,6-bis(2-methylpropyl)carbazol-9-yl]cyclohexa-2,4-dien-1-yl]-N-methylaniline

N-[4-[3,6-bis(2-methylpropyl)carbazol-9-yl]cyclohexa-2,4-dien-1-yl]-N-methylaniline (PubChem CID 163918631) has the molecular formula C33H38N2 and a molecular weight of 462.68 g/mol. Its IUPAC name is N-[4-[3,6-bis(2-methylpropyl)carbazol-9-yl]cyclohexa-2,4-dien-1-yl]-N-methylaniline.

Molecular Properties

Compound NameN-[4-[3,6-bis(2-methylpropyl)carbazol-9-yl]cyclohexa-2,4-dien-1-yl]-N-methylaniline
PubChem CID163918631
Molecular FormulaC33H38N2
Molecular Weight462.68 g/mol
Exact Mass462.30
IUPAC NameN-[4-[3,6-bis(2-methylpropyl)carbazol-9-yl]cyclohexa-2,4-dien-1-yl]-N-methylaniline
SMILESCC(C)Cc1ccc2c(c1)c1cc(CC(C)C)ccc1n2C1=CCC(N(C)c2ccccc2)C=C1
InChIInChI=1S/C33H38N2/c1-23(2)19-25-11-17-32-30(21-25)31-22-26(20-24(3)4)12-18-33(31)35(32)29-15-13-28(14-16-29)34(5)27-9-7-6-8-10-27/h6-13,15-18,21-24,28H,14,19-20H2,1-5H3
InChIKeyQYMDNDUBZONIMS-UHFFFAOYSA-N
XLogP8.50
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500462.68
LogP ≤ 58.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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
9-(4-ethylcyclohexa-1,5-dien-1-yl)carbazole
CID 123432152
4-[3,6-bis(2-methylpropyl)carbazol-9-yl]-N-methyl-N-phenylaniline;4-(3,6-ditert-butylcarbazol-9-yl)-N-methyl-N-phenylaniline;4-(3,6-dipropylcarbazol-9-yl)-N-methyl-N-phenylaniline
CID 161364228
3-methyl-9-[4-[(8-methyldibenzofuran-2-yl)methyl]cyclohexa-1,5-dien-1-yl]carbazole
CID 144782323
N-(4-carbazol-9-ylphenyl)-9-[4-(N-(4-carbazol-9-ylphenyl)anilino)cyclohexa-1,5-dien-1-yl]-N-phenylcarbazol-4-amine
CID 126727435
9-(4-phenylcyclohexa-1,5-dien-1-yl)-3-(4-phenylphenyl)carbazole
CID 129022406
3-(2-methylpropyl)-9-phenyl-6-[9-[4-(10-phenylanthracen-9-yl)phenyl]carbazol-3-yl]carbazole
CID 59306914
4-[3-ethyl-6-(3-methylbutyl)carbazol-9-yl]-N-methyl-N-phenylaniline
CID 163723844
4-(9,10-diphenylanthracen-2-yl)-N-[4-[3-(2-methylpropyl)-6-propylcarbazol-9-yl]phenyl]-N-phenylaniline
CID 163570430
N-[4-[9-(4-tert-butylphenyl)-6-[4-(2,2,5-trimethylhexan-3-yl)phenyl]carbazol-3-yl]cyclohexa-2,4-dien-1-yl]-N-phenylaniline
CID 166998063
N-methyl-N-[4-[3-[3-(4-methylphenyl)phenyl]phenyl]cyclohexa-2,4-dien-1-yl]aniline
CID 129281968
N-cyclohexa-2,4-dien-1-yl-N-methylaniline
CID 15822281

Frequently Asked Questions

What is the IUPAC name of N-[4-[3,6-bis(2-methylpropyl)carbazol-9-yl]cyclohexa-2,4-dien-1-yl]-N-methylaniline?
The IUPAC name of N-[4-[3,6-bis(2-methylpropyl)carbazol-9-yl]cyclohexa-2,4-dien-1-yl]-N-methylaniline (CID 163918631) is N-[4-[3,6-bis(2-methylpropyl)carbazol-9-yl]cyclohexa-2,4-dien-1-yl]-N-methylaniline.
What is the SMILES notation for N-[4-[3,6-bis(2-methylpropyl)carbazol-9-yl]cyclohexa-2,4-dien-1-yl]-N-methylaniline?
The canonical SMILES for N-[4-[3,6-bis(2-methylpropyl)carbazol-9-yl]cyclohexa-2,4-dien-1-yl]-N-methylaniline is CC(C)Cc1ccc2c(c1)c1cc(CC(C)C)ccc1n2C1=CCC(N(C)c2ccccc2)C=C1.
What is the InChIKey of N-[4-[3,6-bis(2-methylpropyl)carbazol-9-yl]cyclohexa-2,4-dien-1-yl]-N-methylaniline?
The InChIKey is QYMDNDUBZONIMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H38N2/c1-23(2)19-25-11-17-32-30(21-25)31-22-26(20-24(3)4)12-18-33(31)35(32)29-15-13-28(14-16-29)34(5)27-9-7-6-8-10-27/h6-13,15-18,21-24,28H,14,19-20H2,1-5H3.
What are the key properties of N-[4-[3,6-bis(2-methylpropyl)carbazol-9-yl]cyclohexa-2,4-dien-1-yl]-N-methylaniline?
N-[4-[3,6-bis(2-methylpropyl)carbazol-9-yl]cyclohexa-2,4-dien-1-yl]-N-methylaniline has a molecular weight of 462.68 g/mol, XLogP of 8.50, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[3,6-bis(2-methylpropyl)carbazol-9-yl]cyclohexa-2,4-dien-1-yl]-N-methylaniline is sourced from PubChem (CID 163918631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).