2-naphthalen-1-yl-7-(3-naphthalen-1-ylphenyl)-9,10-diphenylphenanthrene

C52H34 — CID 59638737

IUPAC2-naphthalen-1-yl-7-(3-naphthalen-1-ylphenyl)-9,10-diphenylphenanthrene
SMILESc1ccc(-c2c(-c3ccccc3)c3cc(-c4cccc5ccccc45)ccc3c3ccc(-c4cccc(-c5cccc6ccccc56)c4)cc23)cc1
InChIInChI=1S/C52H34/c1-3-16-37(17-4-1)51-49-33-40(39-22-11-23-41(32-39)45-26-12-20-35-14-7-9-24-43(35)45)28-30-47(49)48-31-29-42(34-50(48)52(51)38-18-5-2-6-19-38)46-27-13-21-36-15-8-10-25-44(36)46/h1-34H
InChIKeyZLAGZEZGCRFXTF-UHFFFAOYSA-N
MW658.84 g/mol
LogP14.63
Rot. Bonds5

About 2-naphthalen-1-yl-7-(3-naphthalen-1-ylphenyl)-9,10-diphenylphenanthrene

2-naphthalen-1-yl-7-(3-naphthalen-1-ylphenyl)-9,10-diphenylphenanthrene (PubChem CID 59638737) has the molecular formula C52H34 and a molecular weight of 658.84 g/mol. Its IUPAC name is 2-naphthalen-1-yl-7-(3-naphthalen-1-ylphenyl)-9,10-diphenylphenanthrene.

Molecular Properties

Compound Name2-naphthalen-1-yl-7-(3-naphthalen-1-ylphenyl)-9,10-diphenylphenanthrene
PubChem CID59638737
Molecular FormulaC52H34
Molecular Weight658.84 g/mol
Exact Mass658.27
IUPAC Name2-naphthalen-1-yl-7-(3-naphthalen-1-ylphenyl)-9,10-diphenylphenanthrene
SMILESc1ccc(-c2c(-c3ccccc3)c3cc(-c4cccc5ccccc45)ccc3c3ccc(-c4cccc(-c5cccc6ccccc56)c4)cc23)cc1
InChIInChI=1S/C52H34/c1-3-16-37(17-4-1)51-49-33-40(39-22-11-23-41(32-39)45-26-12-20-35-14-7-9-24-43(35)45)28-30-47(49)48-31-29-42(34-50(48)52(51)38-18-5-2-6-19-38)46-27-13-21-36-15-8-10-25-44(36)46/h1-34H
InChIKeyZLAGZEZGCRFXTF-UHFFFAOYSA-N
XLogP14.63
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500658.84
LogP ≤ 514.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-naphthalen-1-yl-7-(3-naphthalen-1-ylphenyl)-9,10-diphenylphenanthrene?
The IUPAC name of 2-naphthalen-1-yl-7-(3-naphthalen-1-ylphenyl)-9,10-diphenylphenanthrene (CID 59638737) is 2-naphthalen-1-yl-7-(3-naphthalen-1-ylphenyl)-9,10-diphenylphenanthrene.
What is the SMILES notation for 2-naphthalen-1-yl-7-(3-naphthalen-1-ylphenyl)-9,10-diphenylphenanthrene?
The canonical SMILES for 2-naphthalen-1-yl-7-(3-naphthalen-1-ylphenyl)-9,10-diphenylphenanthrene is c1ccc(-c2c(-c3ccccc3)c3cc(-c4cccc5ccccc45)ccc3c3ccc(-c4cccc(-c5cccc6ccccc56)c4)cc23)cc1.
What is the InChIKey of 2-naphthalen-1-yl-7-(3-naphthalen-1-ylphenyl)-9,10-diphenylphenanthrene?
The InChIKey is ZLAGZEZGCRFXTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H34/c1-3-16-37(17-4-1)51-49-33-40(39-22-11-23-41(32-39)45-26-12-20-35-14-7-9-24-43(35)45)28-30-47(49)48-31-29-42(34-50(48)52(51)38-18-5-2-6-19-38)46-27-13-21-36-15-8-10-25-44(36)46/h1-34H.
What are the key properties of 2-naphthalen-1-yl-7-(3-naphthalen-1-ylphenyl)-9,10-diphenylphenanthrene?
2-naphthalen-1-yl-7-(3-naphthalen-1-ylphenyl)-9,10-diphenylphenanthrene has a molecular weight of 658.84 g/mol, XLogP of 14.63, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-naphthalen-1-yl-7-(3-naphthalen-1-ylphenyl)-9,10-diphenylphenanthrene is sourced from PubChem (CID 59638737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).