1-[4-(8-methylidene-7H-naphthalen-1-yl)phenyl]-3-phenylbenzo[f]quinoline

C36H25N — CID 138644058

IUPAC1-[4-(8-methylidene-7H-naphthalen-1-yl)phenyl]-3-phenylbenzo[f]quinoline
SMILESC=C1CC=Cc2cccc(-c3ccc(-c4cc(-c5ccccc5)nc5ccc6ccccc6c45)cc3)c21
InChIInChI=1S/C36H25N/c1-24-9-7-13-29-14-8-16-30(35(24)29)26-17-19-27(20-18-26)32-23-34(28-11-3-2-4-12-28)37-33-22-21-25-10-5-6-15-31(25)36(32)33/h2-8,10-23H,1,9H2
InChIKeyXXTFZZUVXXNSSQ-UHFFFAOYSA-N
MW471.60 g/mol
LogP9.82
Rot. Bonds3

About 1-[4-(8-methylidene-7H-naphthalen-1-yl)phenyl]-3-phenylbenzo[f]quinoline

1-[4-(8-methylidene-7H-naphthalen-1-yl)phenyl]-3-phenylbenzo[f]quinoline (PubChem CID 138644058) has the molecular formula C36H25N and a molecular weight of 471.60 g/mol. Its IUPAC name is 1-[4-(8-methylidene-7H-naphthalen-1-yl)phenyl]-3-phenylbenzo[f]quinoline.

Molecular Properties

Compound Name1-[4-(8-methylidene-7H-naphthalen-1-yl)phenyl]-3-phenylbenzo[f]quinoline
PubChem CID138644058
Molecular FormulaC36H25N
Molecular Weight471.60 g/mol
Exact Mass471.20
IUPAC Name1-[4-(8-methylidene-7H-naphthalen-1-yl)phenyl]-3-phenylbenzo[f]quinoline
SMILESC=C1CC=Cc2cccc(-c3ccc(-c4cc(-c5ccccc5)nc5ccc6ccccc6c45)cc3)c21
InChIInChI=1S/C36H25N/c1-24-9-7-13-29-14-8-16-30(35(24)29)26-17-19-27(20-18-26)32-23-34(28-11-3-2-4-12-28)37-33-22-21-25-10-5-6-15-31(25)36(32)33/h2-8,10-23H,1,9H2
InChIKeyXXTFZZUVXXNSSQ-UHFFFAOYSA-N
XLogP9.82
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500471.60
LogP ≤ 59.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3-[4-[4-(6-methylidene-5,7-dihydrobenzo[7]annulen-1-yl)phenyl]phenyl]-1-phenylbenzo[f]quinoline
CID 138643910
3-[4-(2,6-dinaphthalen-1-ylpyrimidin-4-yl)phenyl]-1-phenylbenzo[f]quinoline
CID 138644076
1-phenyl-3-[4-[4-phenyl-6-(4-phenylphenyl)pyrimidin-2-yl]phenyl]benzo[f]quinoline
CID 146185311
3-(4-fluorophenyl)-1-phenylbenzo[f]quinoline
CID 17202000
1,3-bis(4-chlorophenyl)benzo[f]quinoline
CID 17201997
3-phenyl-1-[3-[4-(10-phenylanthracen-9-yl)phenyl]phenyl]benzo[f]quinoline
CID 146185541
1-phenyl-3-pyridin-4-ylbenzo[f]quinoline chloride
CID 53347208
1-phenyl-3-[4-[4-phenyl-6-(3-phenylphenyl)pyrimidin-2-yl]phenyl]benzo[f]quinoline
CID 146185499
3-phenyl-1-[4-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]benzo[f]quinoline
CID 146185375
1-phenyl-3-[4-[4-[2-phenyl-6-(3-phenylphenyl)pyrimidin-4-yl]phenyl]phenyl]benzo[f]quinoline
CID 146185379
1-[4-(4-isoquinolin-5-ylphenyl)phenyl]-3-phenylbenzo[f]quinoline
CID 138643909
methylidene-diphenyl-[4-[4-(1-phenylbenzo[f]quinolin-3-yl)phenyl]naphthalen-1-yl]-λ5-phosphane
CID 166796319

Frequently Asked Questions

What is the IUPAC name of 1-[4-(8-methylidene-7H-naphthalen-1-yl)phenyl]-3-phenylbenzo[f]quinoline?
The IUPAC name of 1-[4-(8-methylidene-7H-naphthalen-1-yl)phenyl]-3-phenylbenzo[f]quinoline (CID 138644058) is 1-[4-(8-methylidene-7H-naphthalen-1-yl)phenyl]-3-phenylbenzo[f]quinoline.
What is the SMILES notation for 1-[4-(8-methylidene-7H-naphthalen-1-yl)phenyl]-3-phenylbenzo[f]quinoline?
The canonical SMILES for 1-[4-(8-methylidene-7H-naphthalen-1-yl)phenyl]-3-phenylbenzo[f]quinoline is C=C1CC=Cc2cccc(-c3ccc(-c4cc(-c5ccccc5)nc5ccc6ccccc6c45)cc3)c21.
What is the InChIKey of 1-[4-(8-methylidene-7H-naphthalen-1-yl)phenyl]-3-phenylbenzo[f]quinoline?
The InChIKey is XXTFZZUVXXNSSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H25N/c1-24-9-7-13-29-14-8-16-30(35(24)29)26-17-19-27(20-18-26)32-23-34(28-11-3-2-4-12-28)37-33-22-21-25-10-5-6-15-31(25)36(32)33/h2-8,10-23H,1,9H2.
What are the key properties of 1-[4-(8-methylidene-7H-naphthalen-1-yl)phenyl]-3-phenylbenzo[f]quinoline?
1-[4-(8-methylidene-7H-naphthalen-1-yl)phenyl]-3-phenylbenzo[f]quinoline has a molecular weight of 471.60 g/mol, XLogP of 9.82, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(8-methylidene-7H-naphthalen-1-yl)phenyl]-3-phenylbenzo[f]quinoline is sourced from PubChem (CID 138644058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).