8-[6-(3,5-diphenylphenyl)-2-phenylpyrimidin-4-yl]-1,3-diphenylbenzo[f]quinoline

C53H35N3 — CID 166568654

IUPAC8-[6-(3,5-diphenylphenyl)-2-phenylpyrimidin-4-yl]-1,3-diphenylbenzo[f]quinoline
SMILESc1ccc(-c2cc(-c3ccccc3)cc(-c3cc(-c4ccc5c(ccc6nc(-c7ccccc7)cc(-c7ccccc7)c65)c4)nc(-c4ccccc4)n3)c2)cc1
InChIInChI=1S/C53H35N3/c1-6-16-36(17-7-1)43-31-44(37-18-8-2-9-19-37)33-45(32-43)51-35-50(55-53(56-51)40-24-14-5-15-25-40)42-26-28-46-41(30-42)27-29-48-52(46)47(38-20-10-3-11-21-38)34-49(54-48)39-22-12-4-13-23-39/h1-35H
InChIKeyGPTVNQBHVUZFKI-UHFFFAOYSA-N
MW713.88 g/mol
LogP13.85
Rot. Bonds7

About 8-[6-(3,5-diphenylphenyl)-2-phenylpyrimidin-4-yl]-1,3-diphenylbenzo[f]quinoline

8-[6-(3,5-diphenylphenyl)-2-phenylpyrimidin-4-yl]-1,3-diphenylbenzo[f]quinoline (PubChem CID 166568654) has the molecular formula C53H35N3 and a molecular weight of 713.88 g/mol. Its IUPAC name is 8-[6-(3,5-diphenylphenyl)-2-phenylpyrimidin-4-yl]-1,3-diphenylbenzo[f]quinoline.

Molecular Properties

Compound Name8-[6-(3,5-diphenylphenyl)-2-phenylpyrimidin-4-yl]-1,3-diphenylbenzo[f]quinoline
PubChem CID166568654
Molecular FormulaC53H35N3
Molecular Weight713.88 g/mol
Exact Mass713.28
IUPAC Name8-[6-(3,5-diphenylphenyl)-2-phenylpyrimidin-4-yl]-1,3-diphenylbenzo[f]quinoline
SMILESc1ccc(-c2cc(-c3ccccc3)cc(-c3cc(-c4ccc5c(ccc6nc(-c7ccccc7)cc(-c7ccccc7)c65)c4)nc(-c4ccccc4)n3)c2)cc1
InChIInChI=1S/C53H35N3/c1-6-16-36(17-7-1)43-31-44(37-18-8-2-9-19-37)33-45(32-43)51-35-50(55-53(56-51)40-24-14-5-15-25-40)42-26-28-46-41(30-42)27-29-48-52(46)47(38-20-10-3-11-21-38)34-49(54-48)39-22-12-4-13-23-39/h1-35H
InChIKeyGPTVNQBHVUZFKI-UHFFFAOYSA-N
XLogP13.85
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500713.88
LogP ≤ 513.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

8-[3-[4-(3,5-diphenylphenyl)-6-phenylpyrimidin-2-yl]phenyl]-1,3-diphenylbenzo[f]quinoline
CID 166568851
8-[3-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]-1,3-diphenylbenzo[f]quinoline
CID 166568890
8-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-1,3-diphenylbenzo[f]quinoline
CID 166568788
8-[4-[2,6-bis(3-phenylphenyl)pyrimidin-4-yl]phenyl]-1,3-diphenylbenzo[f]quinoline
CID 166568855
1-phenyl-8-[4-[3-[4-[4-[3-(1-phenylbenzo[f]quinolin-3-yl)phenyl]phenyl]-6-(3-phenylphenyl)pyrimidin-2-yl]phenyl]phenyl]-3-[3-[4-[2-phenyl-6-(3-phenylphenyl)pyrimidin-4-yl]phenyl]phenyl]benzo[f]quinoline
CID 138643638
1,3-diphenyl-9-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]benzo[f]quinoline
CID 166569146
1,3-diphenyl-7-[3-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]benzo[f]quinoline
CID 166568942
1-phenyl-3-[4-[4-phenyl-6-(3-phenylphenyl)pyrimidin-2-yl]phenyl]benzo[f]quinoline
CID 146185499
1-phenyl-3-[4-[4-[2-phenyl-6-(3-phenylphenyl)pyrimidin-4-yl]phenyl]phenyl]benzo[f]quinoline
CID 146185379
1-phenyl-3-[4-[4-phenyl-6-(4-phenylphenyl)pyrimidin-2-yl]phenyl]benzo[f]quinoline
CID 146185311
3-phenyl-1-[3-[2-phenyl-6-(3-phenylphenyl)pyrimidin-4-yl]phenyl]benzo[f]quinoline
CID 146185486
1-[4-[4-(2,6-dinaphthalen-2-ylpyrimidin-4-yl)phenyl]phenyl]-3-phenylbenzo[f]quinoline
CID 138644120

Frequently Asked Questions

What is the IUPAC name of 8-[6-(3,5-diphenylphenyl)-2-phenylpyrimidin-4-yl]-1,3-diphenylbenzo[f]quinoline?
The IUPAC name of 8-[6-(3,5-diphenylphenyl)-2-phenylpyrimidin-4-yl]-1,3-diphenylbenzo[f]quinoline (CID 166568654) is 8-[6-(3,5-diphenylphenyl)-2-phenylpyrimidin-4-yl]-1,3-diphenylbenzo[f]quinoline.
What is the SMILES notation for 8-[6-(3,5-diphenylphenyl)-2-phenylpyrimidin-4-yl]-1,3-diphenylbenzo[f]quinoline?
The canonical SMILES for 8-[6-(3,5-diphenylphenyl)-2-phenylpyrimidin-4-yl]-1,3-diphenylbenzo[f]quinoline is c1ccc(-c2cc(-c3ccccc3)cc(-c3cc(-c4ccc5c(ccc6nc(-c7ccccc7)cc(-c7ccccc7)c65)c4)nc(-c4ccccc4)n3)c2)cc1.
What is the InChIKey of 8-[6-(3,5-diphenylphenyl)-2-phenylpyrimidin-4-yl]-1,3-diphenylbenzo[f]quinoline?
The InChIKey is GPTVNQBHVUZFKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H35N3/c1-6-16-36(17-7-1)43-31-44(37-18-8-2-9-19-37)33-45(32-43)51-35-50(55-53(56-51)40-24-14-5-15-25-40)42-26-28-46-41(30-42)27-29-48-52(46)47(38-20-10-3-11-21-38)34-49(54-48)39-22-12-4-13-23-39/h1-35H.
What are the key properties of 8-[6-(3,5-diphenylphenyl)-2-phenylpyrimidin-4-yl]-1,3-diphenylbenzo[f]quinoline?
8-[6-(3,5-diphenylphenyl)-2-phenylpyrimidin-4-yl]-1,3-diphenylbenzo[f]quinoline has a molecular weight of 713.88 g/mol, XLogP of 13.85, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[6-(3,5-diphenylphenyl)-2-phenylpyrimidin-4-yl]-1,3-diphenylbenzo[f]quinoline is sourced from PubChem (CID 166568654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).