9-(3-naphthalen-1-ylphenyl)-10-[4-(1-phenylnaphthalen-2-yl)phenyl]anthracene

C52H34 — CID 59413134

IUPAC9-(3-naphthalen-1-ylphenyl)-10-[4-(1-phenylnaphthalen-2-yl)phenyl]anthracene
SMILESc1ccc(-c2c(-c3ccc(-c4c5ccccc5c(-c5cccc(-c6cccc7ccccc67)c5)c5ccccc45)cc3)ccc3ccccc23)cc1
InChIInChI=1S/C52H34/c1-2-16-38(17-3-1)50-44-22-7-5-15-36(44)32-33-45(50)37-28-30-39(31-29-37)51-46-23-8-10-25-48(46)52(49-26-11-9-24-47(49)51)41-20-12-19-40(34-41)43-27-13-18-35-14-4-6-21-42(35)43/h1-34H
InChIKeyVLBGPEOHTGIZOJ-UHFFFAOYSA-N
MW658.84 g/mol
LogP14.63
Rot. Bonds5

About 9-(3-naphthalen-1-ylphenyl)-10-[4-(1-phenylnaphthalen-2-yl)phenyl]anthracene

9-(3-naphthalen-1-ylphenyl)-10-[4-(1-phenylnaphthalen-2-yl)phenyl]anthracene (PubChem CID 59413134) has the molecular formula C52H34 and a molecular weight of 658.84 g/mol. Its IUPAC name is 9-(3-naphthalen-1-ylphenyl)-10-[4-(1-phenylnaphthalen-2-yl)phenyl]anthracene.

Molecular Properties

Compound Name9-(3-naphthalen-1-ylphenyl)-10-[4-(1-phenylnaphthalen-2-yl)phenyl]anthracene
PubChem CID59413134
Molecular FormulaC52H34
Molecular Weight658.84 g/mol
Exact Mass658.27
IUPAC Name9-(3-naphthalen-1-ylphenyl)-10-[4-(1-phenylnaphthalen-2-yl)phenyl]anthracene
SMILESc1ccc(-c2c(-c3ccc(-c4c5ccccc5c(-c5cccc(-c6cccc7ccccc67)c5)c5ccccc45)cc3)ccc3ccccc23)cc1
InChIInChI=1S/C52H34/c1-2-16-38(17-3-1)50-44-22-7-5-15-36(44)32-33-45(50)37-28-30-39(31-29-37)51-46-23-8-10-25-48(46)52(49-26-11-9-24-47(49)51)41-20-12-19-40(34-41)43-27-13-18-35-14-4-6-21-42(35)43/h1-34H
InChIKeyVLBGPEOHTGIZOJ-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_2', 'substructure': 'N/A'}

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Related Compounds

9-[8-(3-naphthalen-1-ylphenyl)-7-phenylnaphthalen-2-yl]-10-phenylanthracene
CID 144837284
9,10-bis[3-(1-phenylnaphthalen-2-yl)phenyl]anthracene
CID 59413167
9-[3-(1-naphthalen-2-ylnaphthalen-2-yl)phenyl]-10-[4-(2-phenylnaphthalen-1-yl)phenyl]anthracene
CID 59413105
9-[3-(1-naphthalen-2-ylnaphthalen-2-yl)phenyl]-10-[4-(2-naphthalen-2-ylnaphthalen-1-yl)phenyl]anthracene
CID 59413057
9-(4-naphthalen-1-ylphenyl)-10-[3-(4-phenylphenyl)phenyl]anthracene
CID 144568905
9-[8-(4-naphthalen-1-ylphenyl)naphthalen-2-yl]-10-phenylanthracene
CID 144837308
9-[3-[3-(4-naphthalen-1-ylphenyl)phenyl]phenyl]-10-phenylanthracene
CID 123523837
9,10-bis(3-naphthalen-1-ylphenyl)anthracene;9,10-bis(3-naphthalen-2-ylphenyl)anthracene;9,10-bis(4-naphthalen-1-ylphenyl)anthracene;9,10-bis(4-naphthalen-2-ylphenyl)anthracene;9-(3-naphthalen-1-ylphenyl)-10-(4-phenylphenyl)anthracene;9-(3-naphthalen-2-ylphenyl)-10-(4-phenylphenyl)anthracene;9-(4-naphthalen-1-ylphenyl)-10-(3-phenylphenyl)anthracene
CID 161131758
9-(3-phenanthren-9-ylphenyl)-10-[3-(1-phenylnaphthalen-2-yl)phenyl]anthracene
CID 59413034
9-(4-naphthalen-1-ylphenyl)-10-[3-(6-phenylnaphthalen-2-yl)phenyl]anthracene
CID 58856435
9-(4-naphthalen-1-ylphenyl)-10-[3-(4-naphthalen-1-ylphenyl)phenyl]anthracene
CID 58426694
9-(4-naphthalen-1-ylphenyl)-10-[4-(3-phenylphenyl)phenyl]anthracene
CID 59398966

Frequently Asked Questions

What is the IUPAC name of 9-(3-naphthalen-1-ylphenyl)-10-[4-(1-phenylnaphthalen-2-yl)phenyl]anthracene?
The IUPAC name of 9-(3-naphthalen-1-ylphenyl)-10-[4-(1-phenylnaphthalen-2-yl)phenyl]anthracene (CID 59413134) is 9-(3-naphthalen-1-ylphenyl)-10-[4-(1-phenylnaphthalen-2-yl)phenyl]anthracene.
What is the SMILES notation for 9-(3-naphthalen-1-ylphenyl)-10-[4-(1-phenylnaphthalen-2-yl)phenyl]anthracene?
The canonical SMILES for 9-(3-naphthalen-1-ylphenyl)-10-[4-(1-phenylnaphthalen-2-yl)phenyl]anthracene is c1ccc(-c2c(-c3ccc(-c4c5ccccc5c(-c5cccc(-c6cccc7ccccc67)c5)c5ccccc45)cc3)ccc3ccccc23)cc1.
What is the InChIKey of 9-(3-naphthalen-1-ylphenyl)-10-[4-(1-phenylnaphthalen-2-yl)phenyl]anthracene?
The InChIKey is VLBGPEOHTGIZOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H34/c1-2-16-38(17-3-1)50-44-22-7-5-15-36(44)32-33-45(50)37-28-30-39(31-29-37)51-46-23-8-10-25-48(46)52(49-26-11-9-24-47(49)51)41-20-12-19-40(34-41)43-27-13-18-35-14-4-6-21-42(35)43/h1-34H.
What are the key properties of 9-(3-naphthalen-1-ylphenyl)-10-[4-(1-phenylnaphthalen-2-yl)phenyl]anthracene?
9-(3-naphthalen-1-ylphenyl)-10-[4-(1-phenylnaphthalen-2-yl)phenyl]anthracene 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 9-(3-naphthalen-1-ylphenyl)-10-[4-(1-phenylnaphthalen-2-yl)phenyl]anthracene is sourced from PubChem (CID 59413134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).