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

C52H35N3 — CID 171054873

IUPAC2-(2,6-diphenyl-4-pyridinyl)-N,N,6-triphenylbenzo[k]phenanthridin-7-amine
SMILESc1ccc(-c2cc(-c3ccc4nc(-c5ccccc5)c5c(N(c6ccccc6)c6ccccc6)cc6ccccc6c5c4c3)cc(-c3ccccc3)n2)cc1
InChIInChI=1S/C52H35N3/c1-6-18-36(19-7-1)47-33-41(34-48(53-47)37-20-8-2-9-21-37)39-30-31-46-45(32-39)50-44-29-17-16-24-40(44)35-49(51(50)52(54-46)38-22-10-3-11-23-38)55(42-25-12-4-13-26-42)43-27-14-5-15-28-43/h1-35H
InChIKeyMDLNBNPZPXCEDY-UHFFFAOYSA-N
MW701.87 g/mol
LogP14.07
Rot. Bonds7

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

2-(2,6-diphenyl-4-pyridinyl)-N,N,6-triphenylbenzo[k]phenanthridin-7-amine (PubChem CID 171054873) has the molecular formula C52H35N3 and a molecular weight of 701.87 g/mol. Its IUPAC name is 2-(2,6-diphenyl-4-pyridinyl)-N,N,6-triphenylbenzo[k]phenanthridin-7-amine.

Molecular Properties

Compound Name2-(2,6-diphenyl-4-pyridinyl)-N,N,6-triphenylbenzo[k]phenanthridin-7-amine
PubChem CID171054873
Molecular FormulaC52H35N3
Molecular Weight701.87 g/mol
Exact Mass701.28
IUPAC Name2-(2,6-diphenyl-4-pyridinyl)-N,N,6-triphenylbenzo[k]phenanthridin-7-amine
SMILESc1ccc(-c2cc(-c3ccc4nc(-c5ccccc5)c5c(N(c6ccccc6)c6ccccc6)cc6ccccc6c5c4c3)cc(-c3ccccc3)n2)cc1
InChIInChI=1S/C52H35N3/c1-6-18-36(19-7-1)47-33-41(34-48(53-47)37-20-8-2-9-21-37)39-30-31-46-45(32-39)50-44-29-17-16-24-40(44)35-49(51(50)52(54-46)38-22-10-3-11-23-38)55(42-25-12-4-13-26-42)43-27-14-5-15-28-43/h1-35H
InChIKeyMDLNBNPZPXCEDY-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 2-(2,6-diphenyl-4-pyridinyl)-N,N,6-triphenylbenzo[k]phenanthridin-7-amine with MolForge

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Related Compounds

6-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-N,N-diphenylbenzo[k]phenanthridin-7-amine
CID 171055008
4-(4,6-diphenyl-2-pyridinyl)-N,N,6-triphenylbenzo[k]phenanthridin-7-amine
CID 171054826
4-[2-(4,6-diphenyl-2-pyridinyl)benzo[k]phenanthridin-6-yl]-N,N-diphenylaniline
CID 171054917
4-(2,6-diphenylpyrimidin-4-yl)-N,N,6-triphenylbenzo[k]phenanthridin-7-amine
CID 171054863
4-[2-(2,6-diphenylpyrimidin-4-yl)benzo[k]phenanthridin-6-yl]-N,N-diphenylaniline
CID 171054837
N,N,6-triphenyl-3-(1-phenylbenzimidazol-2-yl)benzo[k]phenanthridin-7-amine
CID 171054723
6-[3-(4,6-diphenyl-2-pyridinyl)phenyl]-N,N-diphenylbenzo[c]phenanthren-1-amine
CID 171054798
6-[3-(4,6-diphenyl-2-pyridinyl)phenyl]-N,N-diphenylquinolino[3,4-c]quinolin-1-amine
CID 171054981
5-[3-[2,6-bis(4-phenylphenyl)-4-pyridinyl]phenyl]-1,3-diphenylbenzo[f]quinoline
CID 166568986
N-phenyl-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]-3-[3-[4-(4-phenyl-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]anilino)phenyl]phenyl]naphthalen-1-amine
CID 170150009
N,8-diphenyl-N,11-bis(4-phenylphenyl)benzo[a]carbazol-6-amine
CID 174307064
N-phenyl-N-[4-[3-(N-(4-phenylphenyl)anilino)phenyl]phenyl]phenanthren-9-amine
CID 145256486

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-diphenyl-4-pyridinyl)-N,N,6-triphenylbenzo[k]phenanthridin-7-amine?
The IUPAC name of 2-(2,6-diphenyl-4-pyridinyl)-N,N,6-triphenylbenzo[k]phenanthridin-7-amine (CID 171054873) is 2-(2,6-diphenyl-4-pyridinyl)-N,N,6-triphenylbenzo[k]phenanthridin-7-amine.
What is the SMILES notation for 2-(2,6-diphenyl-4-pyridinyl)-N,N,6-triphenylbenzo[k]phenanthridin-7-amine?
The canonical SMILES for 2-(2,6-diphenyl-4-pyridinyl)-N,N,6-triphenylbenzo[k]phenanthridin-7-amine is c1ccc(-c2cc(-c3ccc4nc(-c5ccccc5)c5c(N(c6ccccc6)c6ccccc6)cc6ccccc6c5c4c3)cc(-c3ccccc3)n2)cc1.
What is the InChIKey of 2-(2,6-diphenyl-4-pyridinyl)-N,N,6-triphenylbenzo[k]phenanthridin-7-amine?
The InChIKey is MDLNBNPZPXCEDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H35N3/c1-6-18-36(19-7-1)47-33-41(34-48(53-47)37-20-8-2-9-21-37)39-30-31-46-45(32-39)50-44-29-17-16-24-40(44)35-49(51(50)52(54-46)38-22-10-3-11-23-38)55(42-25-12-4-13-26-42)43-27-14-5-15-28-43/h1-35H.
What are the key properties of 2-(2,6-diphenyl-4-pyridinyl)-N,N,6-triphenylbenzo[k]phenanthridin-7-amine?
2-(2,6-diphenyl-4-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 2-(2,6-diphenyl-4-pyridinyl)-N,N,6-triphenylbenzo[k]phenanthridin-7-amine is sourced from PubChem (CID 171054873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).