8-(10-naphthalen-2-ylanthracen-9-yl)-1,3-diphenylbenzo[f]quinoline

C49H31N — CID 166569139

IUPAC8-(10-naphthalen-2-ylanthracen-9-yl)-1,3-diphenylbenzo[f]quinoline
SMILESc1ccc(-c2cc(-c3ccccc3)c3c(ccc4cc(-c5c6ccccc6c(-c6ccc7ccccc7c6)c6ccccc56)ccc43)n2)cc1
InChIInChI=1S/C49H31N/c1-3-14-33(15-4-1)44-31-46(34-16-5-2-6-17-34)50-45-28-26-36-30-38(25-27-39(36)49(44)45)48-42-21-11-9-19-40(42)47(41-20-10-12-22-43(41)48)37-24-23-32-13-7-8-18-35(32)29-37/h1-31H
InChIKeyBNCSEKMRWOBEKV-UHFFFAOYSA-N
MW633.79 g/mol
LogP13.52
Rot. Bonds4

About 8-(10-naphthalen-2-ylanthracen-9-yl)-1,3-diphenylbenzo[f]quinoline

8-(10-naphthalen-2-ylanthracen-9-yl)-1,3-diphenylbenzo[f]quinoline (PubChem CID 166569139) has the molecular formula C49H31N and a molecular weight of 633.79 g/mol. Its IUPAC name is 8-(10-naphthalen-2-ylanthracen-9-yl)-1,3-diphenylbenzo[f]quinoline.

Molecular Properties

Compound Name8-(10-naphthalen-2-ylanthracen-9-yl)-1,3-diphenylbenzo[f]quinoline
PubChem CID166569139
Molecular FormulaC49H31N
Molecular Weight633.79 g/mol
Exact Mass633.25
IUPAC Name8-(10-naphthalen-2-ylanthracen-9-yl)-1,3-diphenylbenzo[f]quinoline
SMILESc1ccc(-c2cc(-c3ccccc3)c3c(ccc4cc(-c5c6ccccc6c(-c6ccc7ccccc7c6)c6ccccc56)ccc43)n2)cc1
InChIInChI=1S/C49H31N/c1-3-14-33(15-4-1)44-31-46(34-16-5-2-6-17-34)50-45-28-26-36-30-38(25-27-39(36)49(44)45)48-42-21-11-9-19-40(42)47(41-20-10-12-22-43(41)48)37-24-23-32-13-7-8-18-35(32)29-37/h1-31H
InChIKeyBNCSEKMRWOBEKV-UHFFFAOYSA-N
XLogP13.52
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500633.79
LogP ≤ 513.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

1-[4-[4-(9,10-dinaphthalen-2-ylanthracen-2-yl)naphthalen-1-yl]phenyl]-3-phenylbenzo[f]quinoline
CID 146188874
3-[4-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)phenyl]-1-phenylbenzo[f]quinoline
CID 146185305
1-[4-[4-(2,6-dinaphthalen-2-ylpyrimidin-4-yl)phenyl]phenyl]-3-phenylbenzo[f]quinoline
CID 138644120
3-phenyl-1-[3-[4-(10-phenylanthracen-9-yl)phenyl]phenyl]benzo[f]quinoline
CID 146185541
8-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-1,3-diphenylbenzo[f]quinoline
CID 166568788
7-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-1-naphthalen-2-yl-3-phenylbenzo[f]quinoline
CID 166569182
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-(4,6-dinaphthalen-2-ylpyrimidin-2-yl)phenyl]-3-phenylbenzo[f]quinoline
CID 146185511
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
8-[3-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]-1,3-diphenylbenzo[f]quinoline
CID 166568890
8-[6-(3,5-diphenylphenyl)-2-phenylpyrimidin-4-yl]-1,3-diphenylbenzo[f]quinoline
CID 166568654

Frequently Asked Questions

What is the IUPAC name of 8-(10-naphthalen-2-ylanthracen-9-yl)-1,3-diphenylbenzo[f]quinoline?
The IUPAC name of 8-(10-naphthalen-2-ylanthracen-9-yl)-1,3-diphenylbenzo[f]quinoline (CID 166569139) is 8-(10-naphthalen-2-ylanthracen-9-yl)-1,3-diphenylbenzo[f]quinoline.
What is the SMILES notation for 8-(10-naphthalen-2-ylanthracen-9-yl)-1,3-diphenylbenzo[f]quinoline?
The canonical SMILES for 8-(10-naphthalen-2-ylanthracen-9-yl)-1,3-diphenylbenzo[f]quinoline is c1ccc(-c2cc(-c3ccccc3)c3c(ccc4cc(-c5c6ccccc6c(-c6ccc7ccccc7c6)c6ccccc56)ccc43)n2)cc1.
What is the InChIKey of 8-(10-naphthalen-2-ylanthracen-9-yl)-1,3-diphenylbenzo[f]quinoline?
The InChIKey is BNCSEKMRWOBEKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H31N/c1-3-14-33(15-4-1)44-31-46(34-16-5-2-6-17-34)50-45-28-26-36-30-38(25-27-39(36)49(44)45)48-42-21-11-9-19-40(42)47(41-20-10-12-22-43(41)48)37-24-23-32-13-7-8-18-35(32)29-37/h1-31H.
What are the key properties of 8-(10-naphthalen-2-ylanthracen-9-yl)-1,3-diphenylbenzo[f]quinoline?
8-(10-naphthalen-2-ylanthracen-9-yl)-1,3-diphenylbenzo[f]quinoline has a molecular weight of 633.79 g/mol, XLogP of 13.52, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(10-naphthalen-2-ylanthracen-9-yl)-1,3-diphenylbenzo[f]quinoline is sourced from PubChem (CID 166569139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).