4-naphthalen-2-yl-9-(3-naphthalen-2-ylphenyl)phenanthrene

C40H26 — CID 59638749

IUPAC4-naphthalen-2-yl-9-(3-naphthalen-2-ylphenyl)phenanthrene
SMILESc1cc(-c2ccc3ccccc3c2)cc(-c2cc3cccc(-c4ccc5ccccc5c4)c3c3ccccc23)c1
InChIInChI=1S/C40H26/c1-3-11-29-23-32(21-19-27(29)9-1)31-13-7-14-33(25-31)39-26-35-15-8-18-36(40(35)38-17-6-5-16-37(38)39)34-22-20-28-10-2-4-12-30(28)24-34/h1-26H
InChIKeyMJNWTZLZWKOBRO-UHFFFAOYSA-N
MW506.65 g/mol
LogP11.30
Rot. Bonds3

About 4-naphthalen-2-yl-9-(3-naphthalen-2-ylphenyl)phenanthrene

4-naphthalen-2-yl-9-(3-naphthalen-2-ylphenyl)phenanthrene (PubChem CID 59638749) has the molecular formula C40H26 and a molecular weight of 506.65 g/mol. Its IUPAC name is 4-naphthalen-2-yl-9-(3-naphthalen-2-ylphenyl)phenanthrene.

Molecular Properties

Compound Name4-naphthalen-2-yl-9-(3-naphthalen-2-ylphenyl)phenanthrene
PubChem CID59638749
Molecular FormulaC40H26
Molecular Weight506.65 g/mol
Exact Mass506.20
IUPAC Name4-naphthalen-2-yl-9-(3-naphthalen-2-ylphenyl)phenanthrene
SMILESc1cc(-c2ccc3ccccc3c2)cc(-c2cc3cccc(-c4ccc5ccccc5c4)c3c3ccccc23)c1
InChIInChI=1S/C40H26/c1-3-11-29-23-32(21-19-27(29)9-1)31-13-7-14-33(25-31)39-26-35-15-8-18-36(40(35)38-17-6-5-16-37(38)39)34-22-20-28-10-2-4-12-30(28)24-34/h1-26H
InChIKeyMJNWTZLZWKOBRO-UHFFFAOYSA-N
XLogP11.30
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500506.65
LogP ≤ 511.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 4-naphthalen-2-yl-9-(3-naphthalen-2-ylphenyl)phenanthrene with MolForge

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

Launch Full Analysis

Related Compounds

5-[6-(3-naphthalen-2-ylphenyl)naphthalen-2-yl]benzo[c]phenanthrene
CID 58037147
9-(3-naphthalen-2-ylphenyl)-10-(6-phenanthren-4-ylnaphthalen-2-yl)anthracene
CID 58194478
5-(3-naphthalen-2-ylphenyl)-8-(4-naphthalen-1-ylphenyl)benzo[c]phenanthrene
CID 59390472
1,4,9-trinaphthalen-2-yl-10-(3-naphthalen-2-ylphenyl)anthracene
CID 143913993
6-naphthalen-2-yl-12-(3-naphthalen-2-ylphenyl)chrysene
CID 59399025
1-(3-naphthalen-2-ylphenyl)naphthalene
CID 153293143
8-naphthalen-2-yl-3-phenylbenzo[c]phenanthrene
CID 123277337
bis(5-[3-[10-(4-naphthalen-1-ylphenyl)anthracen-9-yl]phenyl]benzo[c]phenanthrene);5-[3-[10-(4-naphthalen-2-ylphenyl)anthracen-9-yl]phenyl]benzo[c]phenanthrene;5-[4-[10-(4-naphthalen-2-ylphenyl)anthracen-9-yl]phenyl]benzo[c]phenanthrene
CID 160704726
3-[3-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]fluoranthene
CID 59524105
9-(2-naphthalen-2-ylphenyl)-10-(3-naphthalen-2-ylphenyl)anthracene
CID 144568902
9-[3-[6-(6-phenanthren-9-ylnaphthalen-2-yl)naphthalen-2-yl]phenyl]phenanthrene;9-[3-[6-(6-phenylnaphthalen-2-yl)naphthalen-2-yl]phenyl]phenanthrene
CID 158676895
4-(7-benzo[e]pyren-4-ylnaphthalen-2-yl)benzo[e]pyrene
CID 59805106

Frequently Asked Questions

What is the IUPAC name of 4-naphthalen-2-yl-9-(3-naphthalen-2-ylphenyl)phenanthrene?
The IUPAC name of 4-naphthalen-2-yl-9-(3-naphthalen-2-ylphenyl)phenanthrene (CID 59638749) is 4-naphthalen-2-yl-9-(3-naphthalen-2-ylphenyl)phenanthrene.
What is the SMILES notation for 4-naphthalen-2-yl-9-(3-naphthalen-2-ylphenyl)phenanthrene?
The canonical SMILES for 4-naphthalen-2-yl-9-(3-naphthalen-2-ylphenyl)phenanthrene is c1cc(-c2ccc3ccccc3c2)cc(-c2cc3cccc(-c4ccc5ccccc5c4)c3c3ccccc23)c1.
What is the InChIKey of 4-naphthalen-2-yl-9-(3-naphthalen-2-ylphenyl)phenanthrene?
The InChIKey is MJNWTZLZWKOBRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H26/c1-3-11-29-23-32(21-19-27(29)9-1)31-13-7-14-33(25-31)39-26-35-15-8-18-36(40(35)38-17-6-5-16-37(38)39)34-22-20-28-10-2-4-12-30(28)24-34/h1-26H.
What are the key properties of 4-naphthalen-2-yl-9-(3-naphthalen-2-ylphenyl)phenanthrene?
4-naphthalen-2-yl-9-(3-naphthalen-2-ylphenyl)phenanthrene has a molecular weight of 506.65 g/mol, XLogP of 11.30, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-naphthalen-2-yl-9-(3-naphthalen-2-ylphenyl)phenanthrene is sourced from PubChem (CID 59638749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).