4-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)benzo[k]phenanthridin-6-yl]-N,N-diphenylaniline

C50H33N5 — CID 171055157

IUPAC4-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)benzo[k]phenanthridin-6-yl]-N,N-diphenylaniline
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3cccc4c3ccc3c(-c5ccc(N(c6ccccc6)c6ccccc6)cc5)nc5ccccc5c34)n2)cc1
InChIInChI=1S/C50H33N5/c1-5-16-35(17-6-1)48-52-49(36-18-7-2-8-19-36)54-50(53-48)42-26-15-25-41-40(42)32-33-44-46(41)43-24-13-14-27-45(43)51-47(44)34-28-30-39(31-29-34)55(37-20-9-3-10-21-37)38-22-11-4-12-23-38/h1-33H
InChIKeyUOGKVNLYMCDDJD-UHFFFAOYSA-N
MW703.85 g/mol
LogP12.86
Rot. Bonds7

About 4-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)benzo[k]phenanthridin-6-yl]-N,N-diphenylaniline

4-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)benzo[k]phenanthridin-6-yl]-N,N-diphenylaniline (PubChem CID 171055157) has the molecular formula C50H33N5 and a molecular weight of 703.85 g/mol. Its IUPAC name is 4-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)benzo[k]phenanthridin-6-yl]-N,N-diphenylaniline.

Molecular Properties

Compound Name4-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)benzo[k]phenanthridin-6-yl]-N,N-diphenylaniline
PubChem CID171055157
Molecular FormulaC50H33N5
Molecular Weight703.85 g/mol
Exact Mass703.27
IUPAC Name4-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)benzo[k]phenanthridin-6-yl]-N,N-diphenylaniline
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3cccc4c3ccc3c(-c5ccc(N(c6ccccc6)c6ccccc6)cc5)nc5ccccc5c34)n2)cc1
InChIInChI=1S/C50H33N5/c1-5-16-35(17-6-1)48-52-49(36-18-7-2-8-19-36)54-50(53-48)42-26-15-25-41-40(42)32-33-44-46(41)43-24-13-14-27-45(43)51-47(44)34-28-30-39(31-29-34)55(37-20-9-3-10-21-37)38-22-11-4-12-23-38/h1-33H
InChIKeyUOGKVNLYMCDDJD-UHFFFAOYSA-N
XLogP12.86
TPSA54.80 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500703.85
LogP ≤ 512.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 4-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)benzo[k]phenanthridin-6-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

4-[9-(4,6-diphenylpyrimidin-2-yl)benzo[k]phenanthridin-6-yl]-N,N-diphenylaniline
CID 171055149
9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6-phenylbenzo[k]phenanthridine
CID 118332316
9-(4,6-diphenyl-1,3,5-triazin-2-yl)-N,N,6-triphenylbenzo[k]phenanthridin-4-amine
CID 171054725
4-[8-(2,6-diphenylpyrimidin-4-yl)benzo[k]phenanthridin-6-yl]-N,N-diphenylaniline
CID 171055002
8-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6-phenylbenzo[k]phenanthridine
CID 118332224
N-[4-[12-(2,6-diphenylpyrimidin-4-yl)benzo[k]phenanthridin-6-yl]phenyl]-N-naphthalen-2-ylnaphthalen-2-amine
CID 171054886
6,10-diphenyl-3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenanthridine
CID 146548609
3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-10-phenyl-6-(4-phenylphenyl)phenanthridine
CID 146548262
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
N,N-diphenyl-4-[8-[4-(4-phenylphenyl)quinolin-2-yl]benzo[k]phenanthridin-6-yl]aniline
CID 171055301
4-[2-(2,6-diphenylpyrimidin-4-yl)benzo[k]phenanthridin-6-yl]-N,N-diphenylaniline
CID 171054837
3-[3-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-6,10-diphenylphenanthridine
CID 146548561

Frequently Asked Questions

What is the IUPAC name of 4-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)benzo[k]phenanthridin-6-yl]-N,N-diphenylaniline?
The IUPAC name of 4-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)benzo[k]phenanthridin-6-yl]-N,N-diphenylaniline (CID 171055157) is 4-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)benzo[k]phenanthridin-6-yl]-N,N-diphenylaniline.
What is the SMILES notation for 4-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)benzo[k]phenanthridin-6-yl]-N,N-diphenylaniline?
The canonical SMILES for 4-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)benzo[k]phenanthridin-6-yl]-N,N-diphenylaniline is c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc4c3ccc3c(-c5ccc(N(c6ccccc6)c6ccccc6)cc5)nc5ccccc5c34)n2)cc1.
What is the InChIKey of 4-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)benzo[k]phenanthridin-6-yl]-N,N-diphenylaniline?
The InChIKey is UOGKVNLYMCDDJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H33N5/c1-5-16-35(17-6-1)48-52-49(36-18-7-2-8-19-36)54-50(53-48)42-26-15-25-41-40(42)32-33-44-46(41)43-24-13-14-27-45(43)51-47(44)34-28-30-39(31-29-34)55(37-20-9-3-10-21-37)38-22-11-4-12-23-38/h1-33H.
What are the key properties of 4-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)benzo[k]phenanthridin-6-yl]-N,N-diphenylaniline?
4-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)benzo[k]phenanthridin-6-yl]-N,N-diphenylaniline has a molecular weight of 703.85 g/mol, XLogP of 12.86, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)benzo[k]phenanthridin-6-yl]-N,N-diphenylaniline is sourced from PubChem (CID 171055157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).