5-[7-(4-naphthalen-1-ylphenyl)phenanthren-2-yl]benzo[c]phenanthrene

C48H30 — CID 59638777

IUPAC5-[7-(4-naphthalen-1-ylphenyl)phenanthren-2-yl]benzo[c]phenanthrene
SMILESc1ccc2c(-c3ccc(-c4ccc5c(ccc6cc(-c7cc8ccc9ccccc9c8c8ccccc78)ccc65)c4)cc3)cccc2c1
InChIInChI=1S/C48H30/c1-3-11-40-32(8-1)10-7-15-41(40)34-18-16-31(17-19-34)35-24-26-42-36(28-35)21-22-37-29-38(25-27-43(37)42)47-30-39-23-20-33-9-2-4-12-44(33)48(39)46-14-6-5-13-45(46)47/h1-30H
InChIKeyLOTPYWLIUJRJQG-UHFFFAOYSA-N
MW606.77 g/mol
LogP13.61
Rot. Bonds3

About 5-[7-(4-naphthalen-1-ylphenyl)phenanthren-2-yl]benzo[c]phenanthrene

5-[7-(4-naphthalen-1-ylphenyl)phenanthren-2-yl]benzo[c]phenanthrene (PubChem CID 59638777) has the molecular formula C48H30 and a molecular weight of 606.77 g/mol. Its IUPAC name is 5-[7-(4-naphthalen-1-ylphenyl)phenanthren-2-yl]benzo[c]phenanthrene.

Molecular Properties

Compound Name5-[7-(4-naphthalen-1-ylphenyl)phenanthren-2-yl]benzo[c]phenanthrene
PubChem CID59638777
Molecular FormulaC48H30
Molecular Weight606.77 g/mol
Exact Mass606.23
IUPAC Name5-[7-(4-naphthalen-1-ylphenyl)phenanthren-2-yl]benzo[c]phenanthrene
SMILESc1ccc2c(-c3ccc(-c4ccc5c(ccc6cc(-c7cc8ccc9ccccc9c8c8ccccc78)ccc65)c4)cc3)cccc2c1
InChIInChI=1S/C48H30/c1-3-11-40-32(8-1)10-7-15-41(40)34-18-16-31(17-19-34)35-24-26-42-36(28-35)21-22-37-29-38(25-27-43(37)42)47-30-39-23-20-33-9-2-4-12-44(33)48(39)46-14-6-5-13-45(46)47/h1-30H
InChIKeyLOTPYWLIUJRJQG-UHFFFAOYSA-N
XLogP13.61
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500606.77
LogP ≤ 513.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 5-[7-(4-naphthalen-1-ylphenyl)phenanthren-2-yl]benzo[c]phenanthrene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-[7-(4-naphthalen-1-ylphenyl)phenanthren-2-yl]benzo[c]phenanthrene?
The IUPAC name of 5-[7-(4-naphthalen-1-ylphenyl)phenanthren-2-yl]benzo[c]phenanthrene (CID 59638777) is 5-[7-(4-naphthalen-1-ylphenyl)phenanthren-2-yl]benzo[c]phenanthrene.
What is the SMILES notation for 5-[7-(4-naphthalen-1-ylphenyl)phenanthren-2-yl]benzo[c]phenanthrene?
The canonical SMILES for 5-[7-(4-naphthalen-1-ylphenyl)phenanthren-2-yl]benzo[c]phenanthrene is c1ccc2c(-c3ccc(-c4ccc5c(ccc6cc(-c7cc8ccc9ccccc9c8c8ccccc78)ccc65)c4)cc3)cccc2c1.
What is the InChIKey of 5-[7-(4-naphthalen-1-ylphenyl)phenanthren-2-yl]benzo[c]phenanthrene?
The InChIKey is LOTPYWLIUJRJQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H30/c1-3-11-40-32(8-1)10-7-15-41(40)34-18-16-31(17-19-34)35-24-26-42-36(28-35)21-22-37-29-38(25-27-43(37)42)47-30-39-23-20-33-9-2-4-12-44(33)48(39)46-14-6-5-13-45(46)47/h1-30H.
What are the key properties of 5-[7-(4-naphthalen-1-ylphenyl)phenanthren-2-yl]benzo[c]phenanthrene?
5-[7-(4-naphthalen-1-ylphenyl)phenanthren-2-yl]benzo[c]phenanthrene has a molecular weight of 606.77 g/mol, XLogP of 13.61, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[7-(4-naphthalen-1-ylphenyl)phenanthren-2-yl]benzo[c]phenanthrene is sourced from PubChem (CID 59638777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).