4-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)phenanthren-2-yl]-N,N-diphenylaniline

C47H32N4 — CID 145009490

IUPAC4-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)phenanthren-2-yl]-N,N-diphenylaniline
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3ccc4c(ccc5cc(-c6ccc(N(c7ccccc7)c7ccccc7)cc6)ccc54)c3)n2)cc1
InChIInChI=1S/C47H32N4/c1-5-13-34(14-6-1)45-48-46(35-15-7-2-8-16-35)50-47(49-45)39-26-30-44-38(32-39)22-21-37-31-36(25-29-43(37)44)33-23-27-42(28-24-33)51(40-17-9-3-10-18-40)41-19-11-4-12-20-41/h1-32H
InChIKeyJHACZDHAKPLOQF-UHFFFAOYSA-N
MW652.80 g/mol
LogP12.32
Rot. Bonds7

About 4-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)phenanthren-2-yl]-N,N-diphenylaniline

4-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)phenanthren-2-yl]-N,N-diphenylaniline (PubChem CID 145009490) has the molecular formula C47H32N4 and a molecular weight of 652.80 g/mol. Its IUPAC name is 4-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)phenanthren-2-yl]-N,N-diphenylaniline.

Molecular Properties

Compound Name4-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)phenanthren-2-yl]-N,N-diphenylaniline
PubChem CID145009490
Molecular FormulaC47H32N4
Molecular Weight652.80 g/mol
Exact Mass652.26
IUPAC Name4-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)phenanthren-2-yl]-N,N-diphenylaniline
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3ccc4c(ccc5cc(-c6ccc(N(c7ccccc7)c7ccccc7)cc6)ccc54)c3)n2)cc1
InChIInChI=1S/C47H32N4/c1-5-13-34(14-6-1)45-48-46(35-15-7-2-8-16-35)50-47(49-45)39-26-30-44-38(32-39)22-21-37-31-36(25-29-43(37)44)33-23-27-42(28-24-33)51(40-17-9-3-10-18-40)41-19-11-4-12-20-41/h1-32H
InChIKeyJHACZDHAKPLOQF-UHFFFAOYSA-N
XLogP12.32
TPSA41.91 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500652.80
LogP ≤ 512.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)phenanthren-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

N,N-bis[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6-phenanthren-2-ylnaphthalen-2-amine
CID 164939243
N,N-bis[4-(4-phenanthren-2-ylphenyl)phenyl]-4-(4-phenylphenyl)aniline
CID 135299426
N,N-bis(4-phenanthren-2-ylphenyl)-4-phenylaniline
CID 135299389
2-N,7-N-diphenyl-7-N-(4-phenylphenyl)-2-N-[7-(N-(4-phenylphenyl)anilino)phenanthren-2-yl]phenanthrene-2,7-diamine
CID 59754872
4-(4,6-diphenyl-1,3,5-triazin-2-yl)-N-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-N-phenylaniline
CID 130353169
2-N,7-N,7-N-triphenyl-2-N-[4-[4-(N-[7-(N-phenylanilino)phenanthren-2-yl]anilino)phenyl]phenyl]phenanthrene-2,7-diamine
CID 59754854
N-(4-chrysen-2-ylphenyl)-N-(4-naphthalen-2-ylphenyl)-4-phenylaniline
CID 170675871
2-phenanthren-2-yl-4-phenyl-6-[3-(6-phenylnaphthalen-2-yl)phenyl]-1,3,5-triazine
CID 171598227
2-phenanthren-2-yl-4-[3-(6-phenylnaphthalen-2-yl)phenyl]-6-(4-phenylphenyl)-1,3,5-triazine
CID 171598299
2-chrysen-2-yl-4-(4-naphthalen-2-ylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 170131359
7-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-N-phenyl-N-(4-phenylphenyl)dibenzofuran-2-amine
CID 170095491
N-[4-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]phenyl]-N,4-diphenylaniline
CID 170096283

Frequently Asked Questions

What is the IUPAC name of 4-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)phenanthren-2-yl]-N,N-diphenylaniline?
The IUPAC name of 4-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)phenanthren-2-yl]-N,N-diphenylaniline (CID 145009490) is 4-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)phenanthren-2-yl]-N,N-diphenylaniline.
What is the SMILES notation for 4-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)phenanthren-2-yl]-N,N-diphenylaniline?
The canonical SMILES for 4-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)phenanthren-2-yl]-N,N-diphenylaniline is c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc4c(ccc5cc(-c6ccc(N(c7ccccc7)c7ccccc7)cc6)ccc54)c3)n2)cc1.
What is the InChIKey of 4-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)phenanthren-2-yl]-N,N-diphenylaniline?
The InChIKey is JHACZDHAKPLOQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H32N4/c1-5-13-34(14-6-1)45-48-46(35-15-7-2-8-16-35)50-47(49-45)39-26-30-44-38(32-39)22-21-37-31-36(25-29-43(37)44)33-23-27-42(28-24-33)51(40-17-9-3-10-18-40)41-19-11-4-12-20-41/h1-32H.
What are the key properties of 4-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)phenanthren-2-yl]-N,N-diphenylaniline?
4-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)phenanthren-2-yl]-N,N-diphenylaniline has a molecular weight of 652.80 g/mol, XLogP of 12.32, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)phenanthren-2-yl]-N,N-diphenylaniline is sourced from PubChem (CID 145009490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).