2-(2-aminophenyl)-N,9-diphenylcarbazol-1-amine;N-benzylmethanimine

C38H32N4 — CID 144810557

IUPAC2-(2-aminophenyl)-N,9-diphenylcarbazol-1-amine;N-benzylmethanimine
SMILESC=NCc1ccccc1.Nc1ccccc1-c1ccc2c3ccccc3n(-c3ccccc3)c2c1Nc1ccccc1
InChIInChI=1S/C30H23N3.C8H9N/c31-27-17-9-7-15-23(27)25-19-20-26-24-16-8-10-18-28(24)33(22-13-5-2-6-14-22)30(26)29(25)32-21-11-3-1-4-12-21;1-9-7-8-5-3-2-4-6-8/h1-20,32H,31H2;2-6H,1,7H2
InChIKeyTYLATEUOYXNJRU-UHFFFAOYSA-N
MW544.70 g/mol
LogP9.66
Rot. Bonds6

About 2-(2-aminophenyl)-N,9-diphenylcarbazol-1-amine;N-benzylmethanimine

2-(2-aminophenyl)-N,9-diphenylcarbazol-1-amine;N-benzylmethanimine (PubChem CID 144810557) has the molecular formula C38H32N4 and a molecular weight of 544.70 g/mol. Its IUPAC name is 2-(2-aminophenyl)-N,9-diphenylcarbazol-1-amine;N-benzylmethanimine.

Molecular Properties

Compound Name2-(2-aminophenyl)-N,9-diphenylcarbazol-1-amine;N-benzylmethanimine
PubChem CID144810557
Molecular FormulaC38H32N4
Molecular Weight544.70 g/mol
Exact Mass544.26
IUPAC Name2-(2-aminophenyl)-N,9-diphenylcarbazol-1-amine;N-benzylmethanimine
SMILESC=NCc1ccccc1.Nc1ccccc1-c1ccc2c3ccccc3n(-c3ccccc3)c2c1Nc1ccccc1
InChIInChI=1S/C30H23N3.C8H9N/c31-27-17-9-7-15-23(27)25-19-20-26-24-16-8-10-18-28(24)33(22-13-5-2-6-14-22)30(26)29(25)32-21-11-3-1-4-12-21;1-9-7-8-5-3-2-4-6-8/h1-20,32H,31H2;2-6H,1,7H2
InChIKeyTYLATEUOYXNJRU-UHFFFAOYSA-N
XLogP9.66
TPSA55.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500544.70
LogP ≤ 59.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

11-phenyl-12-[2-[2-(11-phenylindolo[2,3-a]carbazol-12-yl)phenyl]phenyl]indolo[2,3-a]carbazole
CID 126652554
11,12-bis(4-carbazol-9-ylphenyl)indolo[2,3-a]carbazole
CID 70938031
11-phenyl-12-(4-phenylphenyl)indolo[2,3-a]carbazole
CID 118501913
12,12-dimethyl-11-phenylindolo[2,3-a]carbazol-12-ium
CID 163728015
3-benzyl-9-phenylcarbazol-1-amine
CID 129172795
9-(9,9-dimethylfluoren-2-yl)-N-phenylcarbazol-3-amine;N,11-diphenylbenzo[a]carbazol-8-amine;N,9-diphenylcarbazol-3-amine;N-phenyl-11-(4-phenylphenyl)benzo[a]carbazol-8-amine
CID 159034865
4-phenyl-1,4-diazaoctacyclo[19.10.1.02,14.03,11.05,10.015,20.025,32.026,31]dotriaconta-2(14),3(11),5,7,9,12,15,17,19,21,23,25(32),26,28,30-pentadecaene
CID 126699842
11-[4-[3-[[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]amino]phenyl]phenyl]-N-phenylbenzo[a]carbazol-8-amine
CID 135169249
6-[4-[[[(Z)-3-aminoprop-2-enylidene]amino]methyl]phenyl]-3-N,1-diphenylpyrrolo[3,2-c]carbazole-2,3-diamine;toluene
CID 144645979
(11-phenylindolo[2,3-a]carbazol-12-yl)methanediamine
CID 121355648
11-[4-[[[(2-aminophenyl)-(9,9-dimethylfluoren-2-yl)methylidene]amino]methyl]phenyl]-8-ethenyl-N-phenylbenzo[a]carbazol-9-amine
CID 144645650
2,9-diphenyl-1-(9-phenylcarbazol-1-yl)carbazole
CID 90348691

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminophenyl)-N,9-diphenylcarbazol-1-amine;N-benzylmethanimine?
The IUPAC name of 2-(2-aminophenyl)-N,9-diphenylcarbazol-1-amine;N-benzylmethanimine (CID 144810557) is 2-(2-aminophenyl)-N,9-diphenylcarbazol-1-amine;N-benzylmethanimine.
What is the SMILES notation for 2-(2-aminophenyl)-N,9-diphenylcarbazol-1-amine;N-benzylmethanimine?
The canonical SMILES for 2-(2-aminophenyl)-N,9-diphenylcarbazol-1-amine;N-benzylmethanimine is C=NCc1ccccc1.Nc1ccccc1-c1ccc2c3ccccc3n(-c3ccccc3)c2c1Nc1ccccc1.
What is the InChIKey of 2-(2-aminophenyl)-N,9-diphenylcarbazol-1-amine;N-benzylmethanimine?
The InChIKey is TYLATEUOYXNJRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H23N3.C8H9N/c31-27-17-9-7-15-23(27)25-19-20-26-24-16-8-10-18-28(24)33(22-13-5-2-6-14-22)30(26)29(25)32-21-11-3-1-4-12-21;1-9-7-8-5-3-2-4-6-8/h1-20,32H,31H2;2-6H,1,7H2.
What are the key properties of 2-(2-aminophenyl)-N,9-diphenylcarbazol-1-amine;N-benzylmethanimine?
2-(2-aminophenyl)-N,9-diphenylcarbazol-1-amine;N-benzylmethanimine has a molecular weight of 544.70 g/mol, XLogP of 9.66, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminophenyl)-N,9-diphenylcarbazol-1-amine;N-benzylmethanimine is sourced from PubChem (CID 144810557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).