N-(4-tert-butylphenyl)-9-phenyl-N-propan-2-ylcarbazol-3-amine

C31H32N2 — CID 166947089

IUPACN-(4-tert-butylphenyl)-9-phenyl-N-propan-2-ylcarbazol-3-amine
SMILESCC(C)N(c1ccc(C(C)(C)C)cc1)c1ccc2c(c1)c1ccccc1n2-c1ccccc1
InChIInChI=1S/C31H32N2/c1-22(2)32(25-17-15-23(16-18-25)31(3,4)5)26-19-20-30-28(21-26)27-13-9-10-14-29(27)33(30)24-11-7-6-8-12-24/h6-22H,1-5H3
InChIKeyTVXDCBCYYOPVDF-UHFFFAOYSA-N
MW432.61 g/mol
LogP8.63
Rot. Bonds4

About N-(4-tert-butylphenyl)-9-phenyl-N-propan-2-ylcarbazol-3-amine

N-(4-tert-butylphenyl)-9-phenyl-N-propan-2-ylcarbazol-3-amine (PubChem CID 166947089) has the molecular formula C31H32N2 and a molecular weight of 432.61 g/mol. Its IUPAC name is N-(4-tert-butylphenyl)-9-phenyl-N-propan-2-ylcarbazol-3-amine.

Molecular Properties

Compound NameN-(4-tert-butylphenyl)-9-phenyl-N-propan-2-ylcarbazol-3-amine
PubChem CID166947089
Molecular FormulaC31H32N2
Molecular Weight432.61 g/mol
Exact Mass432.26
IUPAC NameN-(4-tert-butylphenyl)-9-phenyl-N-propan-2-ylcarbazol-3-amine
SMILESCC(C)N(c1ccc(C(C)(C)C)cc1)c1ccc2c(c1)c1ccccc1n2-c1ccccc1
InChIInChI=1S/C31H32N2/c1-22(2)32(25-17-15-23(16-18-25)31(3,4)5)26-19-20-30-28(21-26)27-13-9-10-14-29(27)33(30)24-11-7-6-8-12-24/h6-22H,1-5H3
InChIKeyTVXDCBCYYOPVDF-UHFFFAOYSA-N
XLogP8.63
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
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

N-phenyl-4-(9-phenylcarbazol-3-yl)-N-propan-2-ylaniline
CID 134236462
9-(4-tert-butylphenyl)-3-propan-2-ylcarbazole
CID 170191749
N,9-diphenyl-N-[4-[2-[4-(N-phenylanilino)phenyl]propan-2-yl]phenyl]carbazol-3-amine
CID 168810563
N-(4-tert-butylphenyl)-N,9-diphenylcarbazol-2-amine
CID 167340371
3-(3-tert-butylcarbazol-9-yl)-6-carbazol-9-yl-9-phenylcarbazole
CID 59399314
N-(4-tert-butylphenyl)-4-[9-(4-tert-butylphenyl)carbazol-3-yl]-N-phenylaniline
CID 143859069
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
15-(4-tert-butylphenyl)-4,26-diphenyl-4,15,26-triazaheptacyclo[14.11.0.02,14.03,11.05,10.019,27.020,25]heptacosa-1(16),2(14),3(11),5,7,9,12,17,19(27),20,22,24-dodecaene
CID 176965488
4-tert-butyl-N-phenyl-N-propan-2-ylaniline;N-(2,4-dimethylphenyl)-2,4-dimethyl-N-propan-2-ylaniline;4-methyl-N-(4-methylphenyl)-N-propan-2-ylaniline;3-methyl-N-phenyl-N-propan-2-ylaniline;4-methyl-N-phenyl-N-propan-2-ylaniline;N-phenyl-N,4-di(propan-2-yl)aniline;N-phenyl-N-propan-2-ylaniline;9-phenyl-4-propan-2-ylcarbazole
CID 158555390
N-tert-butyl-9-(4-tert-butylphenyl)-N-(4-fluorophenyl)carbazol-3-amine
CID 162698374
9-(4-tert-butylphenyl)-3,6-di(carbazol-9-yl)carbazole;3,6-ditert-butyl-9-[6-(3,6-ditert-butylcarbazol-9-yl)-9-phenylcarbazol-3-yl]carbazole;3,6-di(carbazol-9-yl)-9-(4-methylphenyl)carbazole
CID 158450509
N-[4-[3-tert-butyl-10-[4-(N-(9-phenylcarbazol-3-yl)anilino)phenyl]anthracen-9-yl]phenyl]-N,9-diphenylcarbazol-3-amine
CID 87401325

Frequently Asked Questions

What is the IUPAC name of N-(4-tert-butylphenyl)-9-phenyl-N-propan-2-ylcarbazol-3-amine?
The IUPAC name of N-(4-tert-butylphenyl)-9-phenyl-N-propan-2-ylcarbazol-3-amine (CID 166947089) is N-(4-tert-butylphenyl)-9-phenyl-N-propan-2-ylcarbazol-3-amine.
What is the SMILES notation for N-(4-tert-butylphenyl)-9-phenyl-N-propan-2-ylcarbazol-3-amine?
The canonical SMILES for N-(4-tert-butylphenyl)-9-phenyl-N-propan-2-ylcarbazol-3-amine is CC(C)N(c1ccc(C(C)(C)C)cc1)c1ccc2c(c1)c1ccccc1n2-c1ccccc1.
What is the InChIKey of N-(4-tert-butylphenyl)-9-phenyl-N-propan-2-ylcarbazol-3-amine?
The InChIKey is TVXDCBCYYOPVDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H32N2/c1-22(2)32(25-17-15-23(16-18-25)31(3,4)5)26-19-20-30-28(21-26)27-13-9-10-14-29(27)33(30)24-11-7-6-8-12-24/h6-22H,1-5H3.
What are the key properties of N-(4-tert-butylphenyl)-9-phenyl-N-propan-2-ylcarbazol-3-amine?
N-(4-tert-butylphenyl)-9-phenyl-N-propan-2-ylcarbazol-3-amine has a molecular weight of 432.61 g/mol, XLogP of 8.63, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-tert-butylphenyl)-9-phenyl-N-propan-2-ylcarbazol-3-amine is sourced from PubChem (CID 166947089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).