6-[3-(4,6-diphenyl-2-pyridinyl)phenyl]-N,N-diphenylbenzo[c]phenanthren-1-amine

C53H36N2 — CID 171054798

IUPAC6-[3-(4,6-diphenyl-2-pyridinyl)phenyl]-N,N-diphenylbenzo[c]phenanthren-1-amine
SMILESc1ccc(-c2cc(-c3ccccc3)nc(-c3cccc(-c4cc5cccc(N(c6ccccc6)c6ccccc6)c5c5c4ccc4ccccc45)c3)c2)cc1
InChIInChI=1S/C53H36N2/c1-5-17-37(18-6-1)43-35-49(39-20-7-2-8-21-39)54-50(36-43)41-23-15-22-40(33-41)48-34-42-24-16-30-51(52(42)53-46-29-14-13-19-38(46)31-32-47(48)53)55(44-25-9-3-10-26-44)45-27-11-4-12-28-45/h1-36H
InChIKeyUEOVBHWWNJHXMU-UHFFFAOYSA-N
MW700.89 g/mol
LogP14.68
Rot. Bonds7

About 6-[3-(4,6-diphenyl-2-pyridinyl)phenyl]-N,N-diphenylbenzo[c]phenanthren-1-amine

6-[3-(4,6-diphenyl-2-pyridinyl)phenyl]-N,N-diphenylbenzo[c]phenanthren-1-amine (PubChem CID 171054798) has the molecular formula C53H36N2 and a molecular weight of 700.89 g/mol. Its IUPAC name is 6-[3-(4,6-diphenyl-2-pyridinyl)phenyl]-N,N-diphenylbenzo[c]phenanthren-1-amine.

Molecular Properties

Compound Name6-[3-(4,6-diphenyl-2-pyridinyl)phenyl]-N,N-diphenylbenzo[c]phenanthren-1-amine
PubChem CID171054798
Molecular FormulaC53H36N2
Molecular Weight700.89 g/mol
Exact Mass700.29
IUPAC Name6-[3-(4,6-diphenyl-2-pyridinyl)phenyl]-N,N-diphenylbenzo[c]phenanthren-1-amine
SMILESc1ccc(-c2cc(-c3ccccc3)nc(-c3cccc(-c4cc5cccc(N(c6ccccc6)c6ccccc6)c5c5c4ccc4ccccc45)c3)c2)cc1
InChIInChI=1S/C53H36N2/c1-5-17-37(18-6-1)43-35-49(39-20-7-2-8-21-39)54-50(36-43)41-23-15-22-40(33-41)48-34-42-24-16-30-51(52(42)53-46-29-14-13-19-38(46)31-32-47(48)53)55(44-25-9-3-10-26-44)45-27-11-4-12-28-45/h1-36H
InChIKeyUEOVBHWWNJHXMU-UHFFFAOYSA-N
XLogP14.68
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500700.89
LogP ≤ 514.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[4-(3,5-diphenylphenyl)phenyl]-N-[4-(4-phenylphenyl)phenyl]phenanthren-4-amine
CID 135271799
N-[4-(3,5-diphenylphenyl)phenyl]-2-(3-naphthalen-1-ylphenyl)-N-phenylaniline
CID 168846165
4-benzo[c]phenanthren-6-yl-N-phenyl-N-[4-[3-(4-phenylnaphthalen-1-yl)phenyl]phenyl]naphthalen-1-amine
CID 167182110
6-[3-(4,6-diphenyl-2-pyridinyl)phenyl]-N,N-diphenylquinolino[3,4-c]quinolin-1-amine
CID 171054981
N-[4-(3-chrysen-1-ylphenyl)phenyl]-N-(4-phenanthren-9-ylphenyl)-2-phenylaniline
CID 170142122
4-[2-(4,6-diphenyl-2-pyridinyl)benzo[k]phenanthridin-6-yl]-N,N-diphenylaniline
CID 171054917
4-(4,6-diphenyl-2-pyridinyl)-N,N,6-triphenylbenzo[k]phenanthridin-7-amine
CID 171054826
N-(3-benzo[c]phenanthren-5-ylphenyl)-2-naphthalen-2-yl-N-(4-phenylphenyl)aniline
CID 167183480
3-benzo[c]phenanthren-5-yl-N-(2-naphthalen-2-ylphenyl)-5-phenyl-N-(4-phenylphenyl)aniline
CID 167183800
N-naphthalen-1-yl-7-(10-pentacyclo[12.8.0.02,11.03,8.017,22]docosa-1(14),2(11),3,5,7,9,12,15,17,19,21-undecaenyl)-N-phenyldibenzofuran-3-amine
CID 177100644
N-[4-[4-(9-naphthalen-1-ylbenzo[c]carbazol-7-yl)phenyl]phenyl]-N-phenylnaphthalen-1-amine
CID 59728542
N-phenyl-N-[4-(5-phenyl-4-oxa-6-azapentacyclo[11.8.0.02,10.03,7.016,21]henicosa-1(13),2(10),3(7),5,8,11,14,16,18,20-decaen-14-yl)phenyl]naphthalen-1-amine
CID 176631327

Frequently Asked Questions

What is the IUPAC name of 6-[3-(4,6-diphenyl-2-pyridinyl)phenyl]-N,N-diphenylbenzo[c]phenanthren-1-amine?
The IUPAC name of 6-[3-(4,6-diphenyl-2-pyridinyl)phenyl]-N,N-diphenylbenzo[c]phenanthren-1-amine (CID 171054798) is 6-[3-(4,6-diphenyl-2-pyridinyl)phenyl]-N,N-diphenylbenzo[c]phenanthren-1-amine.
What is the SMILES notation for 6-[3-(4,6-diphenyl-2-pyridinyl)phenyl]-N,N-diphenylbenzo[c]phenanthren-1-amine?
The canonical SMILES for 6-[3-(4,6-diphenyl-2-pyridinyl)phenyl]-N,N-diphenylbenzo[c]phenanthren-1-amine is c1ccc(-c2cc(-c3ccccc3)nc(-c3cccc(-c4cc5cccc(N(c6ccccc6)c6ccccc6)c5c5c4ccc4ccccc45)c3)c2)cc1.
What is the InChIKey of 6-[3-(4,6-diphenyl-2-pyridinyl)phenyl]-N,N-diphenylbenzo[c]phenanthren-1-amine?
The InChIKey is UEOVBHWWNJHXMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H36N2/c1-5-17-37(18-6-1)43-35-49(39-20-7-2-8-21-39)54-50(36-43)41-23-15-22-40(33-41)48-34-42-24-16-30-51(52(42)53-46-29-14-13-19-38(46)31-32-47(48)53)55(44-25-9-3-10-26-44)45-27-11-4-12-28-45/h1-36H.
What are the key properties of 6-[3-(4,6-diphenyl-2-pyridinyl)phenyl]-N,N-diphenylbenzo[c]phenanthren-1-amine?
6-[3-(4,6-diphenyl-2-pyridinyl)phenyl]-N,N-diphenylbenzo[c]phenanthren-1-amine has a molecular weight of 700.89 g/mol, XLogP of 14.68, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-(4,6-diphenyl-2-pyridinyl)phenyl]-N,N-diphenylbenzo[c]phenanthren-1-amine is sourced from PubChem (CID 171054798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).