N-(4-methylphenyl)-N-phenyl-9-(4-phenylphenyl)carbazol-3-amine

C37H28N2 — CID 153303724

IUPACN-(4-methylphenyl)-N-phenyl-9-(4-phenylphenyl)carbazol-3-amine
SMILESCc1ccc(N(c2ccccc2)c2ccc3c(c2)c2ccccc2n3-c2ccc(-c3ccccc3)cc2)cc1
InChIInChI=1S/C37H28N2/c1-27-16-20-31(21-17-27)38(30-12-6-3-7-13-30)33-24-25-37-35(26-33)34-14-8-9-15-36(34)39(37)32-22-18-29(19-23-32)28-10-4-2-5-11-28/h2-26H,1H3
InChIKeyDVHDFZZWIFGVLU-UHFFFAOYSA-N
MW500.65 g/mol
LogP10.23
Rot. Bonds5

About N-(4-methylphenyl)-N-phenyl-9-(4-phenylphenyl)carbazol-3-amine

N-(4-methylphenyl)-N-phenyl-9-(4-phenylphenyl)carbazol-3-amine (PubChem CID 153303724) has the molecular formula C37H28N2 and a molecular weight of 500.65 g/mol. Its IUPAC name is N-(4-methylphenyl)-N-phenyl-9-(4-phenylphenyl)carbazol-3-amine.

Molecular Properties

Compound NameN-(4-methylphenyl)-N-phenyl-9-(4-phenylphenyl)carbazol-3-amine
PubChem CID153303724
Molecular FormulaC37H28N2
Molecular Weight500.65 g/mol
Exact Mass500.23
IUPAC NameN-(4-methylphenyl)-N-phenyl-9-(4-phenylphenyl)carbazol-3-amine
SMILESCc1ccc(N(c2ccccc2)c2ccc3c(c2)c2ccccc2n3-c2ccc(-c3ccccc3)cc2)cc1
InChIInChI=1S/C37H28N2/c1-27-16-20-31(21-17-27)38(30-12-6-3-7-13-30)33-24-25-37-35(26-33)34-14-8-9-15-36(34)39(37)32-22-18-29(19-23-32)28-10-4-2-5-11-28/h2-26H,1H3
InChIKeyDVHDFZZWIFGVLU-UHFFFAOYSA-N
XLogP10.23
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms39
Complexity

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500500.65
LogP ≤ 510.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Frequently Asked Questions

What is the IUPAC name of N-(4-methylphenyl)-N-phenyl-9-(4-phenylphenyl)carbazol-3-amine?
The IUPAC name of N-(4-methylphenyl)-N-phenyl-9-(4-phenylphenyl)carbazol-3-amine (CID 153303724) is N-(4-methylphenyl)-N-phenyl-9-(4-phenylphenyl)carbazol-3-amine.
What is the SMILES notation for N-(4-methylphenyl)-N-phenyl-9-(4-phenylphenyl)carbazol-3-amine?
The canonical SMILES for N-(4-methylphenyl)-N-phenyl-9-(4-phenylphenyl)carbazol-3-amine is Cc1ccc(N(c2ccccc2)c2ccc3c(c2)c2ccccc2n3-c2ccc(-c3ccccc3)cc2)cc1.
What is the InChIKey of N-(4-methylphenyl)-N-phenyl-9-(4-phenylphenyl)carbazol-3-amine?
The InChIKey is DVHDFZZWIFGVLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H28N2/c1-27-16-20-31(21-17-27)38(30-12-6-3-7-13-30)33-24-25-37-35(26-33)34-14-8-9-15-36(34)39(37)32-22-18-29(19-23-32)28-10-4-2-5-11-28/h2-26H,1H3.
What are the key properties of N-(4-methylphenyl)-N-phenyl-9-(4-phenylphenyl)carbazol-3-amine?
N-(4-methylphenyl)-N-phenyl-9-(4-phenylphenyl)carbazol-3-amine has a molecular weight of 500.65 g/mol, XLogP of 10.23, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylphenyl)-N-phenyl-9-(4-phenylphenyl)carbazol-3-amine is sourced from PubChem (CID 153303724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).