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

C51H34N4 — CID 171054981

IUPAC6-[3-(4,6-diphenyl-2-pyridinyl)phenyl]-N,N-diphenylquinolino[3,4-c]quinolin-1-amine
SMILESc1ccc(-c2cc(-c3ccccc3)nc(-c3cccc(-c4nc5cccc(N(c6ccccc6)c6ccccc6)c5c5c4cnc4ccccc45)c3)c2)cc1
InChIInChI=1S/C51H34N4/c1-5-17-35(18-6-1)39-32-46(36-19-7-2-8-20-36)53-47(33-39)37-21-15-22-38(31-37)51-43-34-52-44-28-14-13-27-42(44)49(43)50-45(54-51)29-16-30-48(50)55(40-23-9-3-10-24-40)41-25-11-4-12-26-41/h1-34H
InChIKeyYYNTYBAHGGFSHQ-UHFFFAOYSA-N
MW702.86 g/mol
LogP13.47
Rot. Bonds7

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

6-[3-(4,6-diphenyl-2-pyridinyl)phenyl]-N,N-diphenylquinolino[3,4-c]quinolin-1-amine (PubChem CID 171054981) has the molecular formula C51H34N4 and a molecular weight of 702.86 g/mol. Its IUPAC name is 6-[3-(4,6-diphenyl-2-pyridinyl)phenyl]-N,N-diphenylquinolino[3,4-c]quinolin-1-amine.

Molecular Properties

Compound Name6-[3-(4,6-diphenyl-2-pyridinyl)phenyl]-N,N-diphenylquinolino[3,4-c]quinolin-1-amine
PubChem CID171054981
Molecular FormulaC51H34N4
Molecular Weight702.86 g/mol
Exact Mass702.28
IUPAC Name6-[3-(4,6-diphenyl-2-pyridinyl)phenyl]-N,N-diphenylquinolino[3,4-c]quinolin-1-amine
SMILESc1ccc(-c2cc(-c3ccccc3)nc(-c3cccc(-c4nc5cccc(N(c6ccccc6)c6ccccc6)c5c5c4cnc4ccccc45)c3)c2)cc1
InChIInChI=1S/C51H34N4/c1-5-17-35(18-6-1)39-32-46(36-19-7-2-8-20-36)53-47(33-39)37-21-15-22-38(31-37)51-43-34-52-44-28-14-13-27-42(44)49(43)50-45(54-51)29-16-30-48(50)55(40-23-9-3-10-24-40)41-25-11-4-12-26-41/h1-34H
InChIKeyYYNTYBAHGGFSHQ-UHFFFAOYSA-N
XLogP13.47
TPSA41.91 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500702.86
LogP ≤ 513.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

6-[3-(4,6-diphenyl-2-pyridinyl)phenyl]-N,N-diphenylbenzo[c]phenanthren-1-amine
CID 171054798
6-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-N,N-diphenylbenzo[k]phenanthridin-7-amine
CID 171055008
22-[3-[3-[2,6-bis(4-phenylphenyl)pyrimidin-4-yl]phenyl]phenyl]-21-azapentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaene;22-[3-[3-[6-phenyl-2-(4-phenylphenyl)pyrimidin-4-yl]phenyl]phenyl]-21-azapentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaene
CID 158897043
2-(2,6-diphenyl-4-pyridinyl)-N,N,6-triphenylbenzo[k]phenanthridin-7-amine
CID 171054873
4-[2-(4,6-diphenyl-2-pyridinyl)benzo[k]phenanthridin-6-yl]-N,N-diphenylaniline
CID 171054917
6-[3-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]benzo[k]phenanthridine
CID 122666028
N-[4-(3,5-diphenylphenyl)phenyl]-2-(3-naphthalen-1-ylphenyl)-N-phenylaniline
CID 168846165
6-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]benzo[k]phenanthridine
CID 122665637
4-(4,6-diphenyl-2-pyridinyl)-N,N,6-triphenylbenzo[k]phenanthridin-7-amine
CID 171054826
2-[3-[4-[3-(4,6-diphenyl-2-pyridinyl)phenyl]naphthalen-1-yl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 58943423
N,N-diphenyl-4-[4-[3-[4-[4-(N-phenylanilino)naphthalen-1-yl]phenyl]quinoxalin-2-yl]phenyl]naphthalen-1-amine;N,N-diphenyl-5-[4-[3-[4-[5-(N-phenylanilino)naphthalen-1-yl]phenyl]quinoxalin-2-yl]phenyl]naphthalen-1-amine;N,N-diphenyl-4-[4-[4-[3-[4-[4-[4-(N-phenylanilino)phenyl]phenyl]phenyl]quinoxalin-2-yl]phenyl]phenyl]aniline
CID 159820457
4-[8-(2,6-diphenylpyrimidin-4-yl)benzo[k]phenanthridin-6-yl]-N,N-diphenylaniline
CID 171055002

Frequently Asked Questions

What is the IUPAC name of 6-[3-(4,6-diphenyl-2-pyridinyl)phenyl]-N,N-diphenylquinolino[3,4-c]quinolin-1-amine?
The IUPAC name of 6-[3-(4,6-diphenyl-2-pyridinyl)phenyl]-N,N-diphenylquinolino[3,4-c]quinolin-1-amine (CID 171054981) is 6-[3-(4,6-diphenyl-2-pyridinyl)phenyl]-N,N-diphenylquinolino[3,4-c]quinolin-1-amine.
What is the SMILES notation for 6-[3-(4,6-diphenyl-2-pyridinyl)phenyl]-N,N-diphenylquinolino[3,4-c]quinolin-1-amine?
The canonical SMILES for 6-[3-(4,6-diphenyl-2-pyridinyl)phenyl]-N,N-diphenylquinolino[3,4-c]quinolin-1-amine is c1ccc(-c2cc(-c3ccccc3)nc(-c3cccc(-c4nc5cccc(N(c6ccccc6)c6ccccc6)c5c5c4cnc4ccccc45)c3)c2)cc1.
What is the InChIKey of 6-[3-(4,6-diphenyl-2-pyridinyl)phenyl]-N,N-diphenylquinolino[3,4-c]quinolin-1-amine?
The InChIKey is YYNTYBAHGGFSHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H34N4/c1-5-17-35(18-6-1)39-32-46(36-19-7-2-8-20-36)53-47(33-39)37-21-15-22-38(31-37)51-43-34-52-44-28-14-13-27-42(44)49(43)50-45(54-51)29-16-30-48(50)55(40-23-9-3-10-24-40)41-25-11-4-12-26-41/h1-34H.
What are the key properties of 6-[3-(4,6-diphenyl-2-pyridinyl)phenyl]-N,N-diphenylquinolino[3,4-c]quinolin-1-amine?
6-[3-(4,6-diphenyl-2-pyridinyl)phenyl]-N,N-diphenylquinolino[3,4-c]quinolin-1-amine has a molecular weight of 702.86 g/mol, XLogP of 13.47, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-(4,6-diphenyl-2-pyridinyl)phenyl]-N,N-diphenylquinolino[3,4-c]quinolin-1-amine is sourced from PubChem (CID 171054981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).