2-(4-phenanthren-2-yl-6-phenyl-1,3,5-triazin-2-yl)-N,N-diphenylaniline

C41H28N4 — CID 170929735

IUPAC2-(4-phenanthren-2-yl-6-phenyl-1,3,5-triazin-2-yl)-N,N-diphenylaniline
SMILESc1ccc(-c2nc(-c3ccc4c(ccc5ccccc54)c3)nc(-c3ccccc3N(c3ccccc3)c3ccccc3)n2)cc1
InChIInChI=1S/C41H28N4/c1-4-15-30(16-5-1)39-42-40(32-26-27-36-31(28-32)25-24-29-14-10-11-21-35(29)36)44-41(43-39)37-22-12-13-23-38(37)45(33-17-6-2-7-18-33)34-19-8-3-9-20-34/h1-28H
InChIKeyMJMQEOMFMLOSSO-UHFFFAOYSA-N
MW576.70 g/mol
LogP10.65
Rot. Bonds6

About 2-(4-phenanthren-2-yl-6-phenyl-1,3,5-triazin-2-yl)-N,N-diphenylaniline

2-(4-phenanthren-2-yl-6-phenyl-1,3,5-triazin-2-yl)-N,N-diphenylaniline (PubChem CID 170929735) has the molecular formula C41H28N4 and a molecular weight of 576.70 g/mol. Its IUPAC name is 2-(4-phenanthren-2-yl-6-phenyl-1,3,5-triazin-2-yl)-N,N-diphenylaniline.

Molecular Properties

Compound Name2-(4-phenanthren-2-yl-6-phenyl-1,3,5-triazin-2-yl)-N,N-diphenylaniline
PubChem CID170929735
Molecular FormulaC41H28N4
Molecular Weight576.70 g/mol
Exact Mass576.23
IUPAC Name2-(4-phenanthren-2-yl-6-phenyl-1,3,5-triazin-2-yl)-N,N-diphenylaniline
SMILESc1ccc(-c2nc(-c3ccc4c(ccc5ccccc54)c3)nc(-c3ccccc3N(c3ccccc3)c3ccccc3)n2)cc1
InChIInChI=1S/C41H28N4/c1-4-15-30(16-5-1)39-42-40(32-26-27-36-31(28-32)25-24-29-14-10-11-21-35(29)36)44-41(43-39)37-22-12-13-23-38(37)45(33-17-6-2-7-18-33)34-19-8-3-9-20-34/h1-28H
InChIKeyMJMQEOMFMLOSSO-UHFFFAOYSA-N
XLogP10.65
TPSA41.91 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500576.70
LogP ≤ 510.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 2-(4-phenanthren-2-yl-6-phenyl-1,3,5-triazin-2-yl)-N,N-diphenylaniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(4,6-diphenyl-1,3,5-triazin-2-yl)-N,N-diphenylaniline
CID 132993147
4-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)phenanthren-2-yl]-N,N-diphenylaniline
CID 145009490
2-naphthalen-2-yl-4-phenanthren-2-yl-6-phenyl-1,3,5-triazine
CID 121287323
N,N-bis[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6-phenanthren-2-ylnaphthalen-2-amine
CID 164939243
N-(4-chrysen-2-ylphenyl)-2-naphthalen-1-yl-N-(4-phenylphenyl)aniline
CID 170136262
2-(4-dibenzofuran-1-yl-6-naphthalen-2-yl-1,3,5-triazin-2-yl)-N-phenyl-N-(3-phenylphenyl)aniline
CID 167157315
2-(6-pentacyclo[12.8.0.02,11.03,8.017,22]docosa-1(14),2(11),3(8),4,6,9,12,15,17,19,21-undecaenyl)-N,N-bis(4-phenylphenyl)aniline
CID 177100332
N-[4-(4-chrysen-6-ylphenyl)phenyl]-N-phenyl-2-(4-phenylphenyl)aniline
CID 170141173
N-(4-benzo[g]phenanthren-3-ylphenyl)-N,2-bis(4-phenylphenyl)aniline
CID 167183106
N-(4-chrysen-1-ylphenyl)-N-(4-phenanthren-9-ylphenyl)-2-phenylaniline
CID 170141965
N-(4-phenanthren-9-ylphenyl)-N-(2-phenylphenyl)chrysen-2-amine
CID 170136192
2-naphthalen-2-yl-4-(3-phenanthren-2-ylnaphthalen-1-yl)-6-phenyl-1,3,5-triazine
CID 164981738

Frequently Asked Questions

What is the IUPAC name of 2-(4-phenanthren-2-yl-6-phenyl-1,3,5-triazin-2-yl)-N,N-diphenylaniline?
The IUPAC name of 2-(4-phenanthren-2-yl-6-phenyl-1,3,5-triazin-2-yl)-N,N-diphenylaniline (CID 170929735) is 2-(4-phenanthren-2-yl-6-phenyl-1,3,5-triazin-2-yl)-N,N-diphenylaniline.
What is the SMILES notation for 2-(4-phenanthren-2-yl-6-phenyl-1,3,5-triazin-2-yl)-N,N-diphenylaniline?
The canonical SMILES for 2-(4-phenanthren-2-yl-6-phenyl-1,3,5-triazin-2-yl)-N,N-diphenylaniline is c1ccc(-c2nc(-c3ccc4c(ccc5ccccc54)c3)nc(-c3ccccc3N(c3ccccc3)c3ccccc3)n2)cc1.
What is the InChIKey of 2-(4-phenanthren-2-yl-6-phenyl-1,3,5-triazin-2-yl)-N,N-diphenylaniline?
The InChIKey is MJMQEOMFMLOSSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H28N4/c1-4-15-30(16-5-1)39-42-40(32-26-27-36-31(28-32)25-24-29-14-10-11-21-35(29)36)44-41(43-39)37-22-12-13-23-38(37)45(33-17-6-2-7-18-33)34-19-8-3-9-20-34/h1-28H.
What are the key properties of 2-(4-phenanthren-2-yl-6-phenyl-1,3,5-triazin-2-yl)-N,N-diphenylaniline?
2-(4-phenanthren-2-yl-6-phenyl-1,3,5-triazin-2-yl)-N,N-diphenylaniline has a molecular weight of 576.70 g/mol, XLogP of 10.65, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-phenanthren-2-yl-6-phenyl-1,3,5-triazin-2-yl)-N,N-diphenylaniline is sourced from PubChem (CID 170929735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).