4-(4,6-diphenyl-2-pyridinyl)-N,N,6-triphenylbenzo[k]phenanthridin-7-amine

C52H35N3 — CID 171054826

IUPAC4-(4,6-diphenyl-2-pyridinyl)-N,N,6-triphenylbenzo[k]phenanthridin-7-amine
SMILESc1ccc(-c2cc(-c3ccccc3)nc(-c3cccc4c3nc(-c3ccccc3)c3c(N(c5ccccc5)c5ccccc5)cc5ccccc5c34)c2)cc1
InChIInChI=1S/C52H35N3/c1-6-19-36(20-7-1)40-33-46(37-21-8-2-9-22-37)53-47(34-40)44-31-18-32-45-49-43-30-17-16-25-39(43)35-48(50(49)51(54-52(44)45)38-23-10-3-11-24-38)55(41-26-12-4-13-27-41)42-28-14-5-15-29-42/h1-35H
InChIKeyZDCXUKPXSQEOSH-UHFFFAOYSA-N
MW701.87 g/mol
LogP14.07
Rot. Bonds7

About 4-(4,6-diphenyl-2-pyridinyl)-N,N,6-triphenylbenzo[k]phenanthridin-7-amine

4-(4,6-diphenyl-2-pyridinyl)-N,N,6-triphenylbenzo[k]phenanthridin-7-amine (PubChem CID 171054826) has the molecular formula C52H35N3 and a molecular weight of 701.87 g/mol. Its IUPAC name is 4-(4,6-diphenyl-2-pyridinyl)-N,N,6-triphenylbenzo[k]phenanthridin-7-amine.

Molecular Properties

Compound Name4-(4,6-diphenyl-2-pyridinyl)-N,N,6-triphenylbenzo[k]phenanthridin-7-amine
PubChem CID171054826
Molecular FormulaC52H35N3
Molecular Weight701.87 g/mol
Exact Mass701.28
IUPAC Name4-(4,6-diphenyl-2-pyridinyl)-N,N,6-triphenylbenzo[k]phenanthridin-7-amine
SMILESc1ccc(-c2cc(-c3ccccc3)nc(-c3cccc4c3nc(-c3ccccc3)c3c(N(c5ccccc5)c5ccccc5)cc5ccccc5c34)c2)cc1
InChIInChI=1S/C52H35N3/c1-6-19-36(20-7-1)40-33-46(37-21-8-2-9-22-37)53-47(34-40)44-31-18-32-45-49-43-30-17-16-25-39(43)35-48(50(49)51(54-52(44)45)38-23-10-3-11-24-38)55(41-26-12-4-13-27-41)42-28-14-5-15-29-42/h1-35H
InChIKeyZDCXUKPXSQEOSH-UHFFFAOYSA-N
XLogP14.07
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500701.87
LogP ≤ 514.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-(4,6-diphenyl-2-pyridinyl)-N,N,6-triphenylbenzo[k]phenanthridin-7-amine with MolForge

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Related Compounds

4-(2,6-diphenylpyrimidin-4-yl)-N,N,6-triphenylbenzo[k]phenanthridin-7-amine
CID 171054863
2-(2,6-diphenyl-4-pyridinyl)-N,N,6-triphenylbenzo[k]phenanthridin-7-amine
CID 171054873
6-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-N,N-diphenylbenzo[k]phenanthridin-7-amine
CID 171055008
6-[3-(4,6-diphenyl-2-pyridinyl)phenyl]-N,N-diphenylbenzo[c]phenanthren-1-amine
CID 171054798
8-(4,6-diphenylpyrimidin-2-yl)-N,N,6-triphenylbenzo[k]phenanthridin-4-amine
CID 171054752
N-[4-[4-(4-naphthalen-1-yl-6-phenylpyrimidin-2-yl)phenyl]phenyl]-N-[4-(4-phenylphenyl)phenyl]naphthalen-1-amine
CID 58028696
N-[4-[4-(6-naphthalen-1-yl-2-phenylpyrimidin-4-yl)phenyl]phenyl]-N-phenyl-4-(4-phenylphenyl)aniline
CID 58028726
N-[4-(3,5-diphenylphenyl)phenyl]-2-(3-naphthalen-1-ylphenyl)-N-phenylaniline
CID 168846165
5-[3-[2,6-bis(4-phenylphenyl)-4-pyridinyl]phenyl]-1,3-diphenylbenzo[f]quinoline
CID 166568986
6,10-diphenyl-4-[3-[6-phenyl-2-(3-phenylphenyl)pyrimidin-4-yl]phenyl]phenanthridine
CID 146548667
7-(1,9-phenanthrolin-7-yl)-N,N,6-triphenylbenzo[k]phenanthridin-4-amine
CID 171054754
4-[2-(4,6-diphenyl-2-pyridinyl)benzo[k]phenanthridin-6-yl]-N,N-diphenylaniline
CID 171054917

Frequently Asked Questions

What is the IUPAC name of 4-(4,6-diphenyl-2-pyridinyl)-N,N,6-triphenylbenzo[k]phenanthridin-7-amine?
The IUPAC name of 4-(4,6-diphenyl-2-pyridinyl)-N,N,6-triphenylbenzo[k]phenanthridin-7-amine (CID 171054826) is 4-(4,6-diphenyl-2-pyridinyl)-N,N,6-triphenylbenzo[k]phenanthridin-7-amine.
What is the SMILES notation for 4-(4,6-diphenyl-2-pyridinyl)-N,N,6-triphenylbenzo[k]phenanthridin-7-amine?
The canonical SMILES for 4-(4,6-diphenyl-2-pyridinyl)-N,N,6-triphenylbenzo[k]phenanthridin-7-amine is c1ccc(-c2cc(-c3ccccc3)nc(-c3cccc4c3nc(-c3ccccc3)c3c(N(c5ccccc5)c5ccccc5)cc5ccccc5c34)c2)cc1.
What is the InChIKey of 4-(4,6-diphenyl-2-pyridinyl)-N,N,6-triphenylbenzo[k]phenanthridin-7-amine?
The InChIKey is ZDCXUKPXSQEOSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H35N3/c1-6-19-36(20-7-1)40-33-46(37-21-8-2-9-22-37)53-47(34-40)44-31-18-32-45-49-43-30-17-16-25-39(43)35-48(50(49)51(54-52(44)45)38-23-10-3-11-24-38)55(41-26-12-4-13-27-41)42-28-14-5-15-29-42/h1-35H.
What are the key properties of 4-(4,6-diphenyl-2-pyridinyl)-N,N,6-triphenylbenzo[k]phenanthridin-7-amine?
4-(4,6-diphenyl-2-pyridinyl)-N,N,6-triphenylbenzo[k]phenanthridin-7-amine has a molecular weight of 701.87 g/mol, XLogP of 14.07, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4,6-diphenyl-2-pyridinyl)-N,N,6-triphenylbenzo[k]phenanthridin-7-amine is sourced from PubChem (CID 171054826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).