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

C52H34 — CID 58426694

IUPAC9-(4-naphthalen-1-ylphenyl)-10-[3-(4-naphthalen-1-ylphenyl)phenyl]anthracene
SMILESc1cc(-c2ccc(-c3cccc4ccccc34)cc2)cc(-c2c3ccccc3c(-c3ccc(-c4cccc5ccccc45)cc3)c3ccccc23)c1
InChIInChI=1S/C52H34/c1-3-18-43-36(12-1)14-10-24-45(43)38-28-26-35(27-29-38)41-16-9-17-42(34-41)52-49-22-7-5-20-47(49)51(48-21-6-8-23-50(48)52)40-32-30-39(31-33-40)46-25-11-15-37-13-2-4-19-44(37)46/h1-34H
InChIKeyRBFWAXLBXTWXHB-UHFFFAOYSA-N
MW658.84 g/mol
LogP14.63
Rot. Bonds5

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

9-(4-naphthalen-1-ylphenyl)-10-[3-(4-naphthalen-1-ylphenyl)phenyl]anthracene (PubChem CID 58426694) has the molecular formula C52H34 and a molecular weight of 658.84 g/mol. Its IUPAC name is 9-(4-naphthalen-1-ylphenyl)-10-[3-(4-naphthalen-1-ylphenyl)phenyl]anthracene.

Molecular Properties

Compound Name9-(4-naphthalen-1-ylphenyl)-10-[3-(4-naphthalen-1-ylphenyl)phenyl]anthracene
PubChem CID58426694
Molecular FormulaC52H34
Molecular Weight658.84 g/mol
Exact Mass658.27
IUPAC Name9-(4-naphthalen-1-ylphenyl)-10-[3-(4-naphthalen-1-ylphenyl)phenyl]anthracene
SMILESc1cc(-c2ccc(-c3cccc4ccccc34)cc2)cc(-c2c3ccccc3c(-c3ccc(-c4cccc5ccccc45)cc3)c3ccccc23)c1
InChIInChI=1S/C52H34/c1-3-18-43-36(12-1)14-10-24-45(43)38-28-26-35(27-29-38)41-16-9-17-42(34-41)52-49-22-7-5-20-47(49)51(48-21-6-8-23-50(48)52)40-32-30-39(31-33-40)46-25-11-15-37-13-2-4-19-44(37)46/h1-34H
InChIKeyRBFWAXLBXTWXHB-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-(4-naphthalen-1-ylphenyl)-10-[3-(4-phenylphenyl)phenyl]anthracene
CID 144568905
9-[3-[3-(4-naphthalen-1-ylphenyl)phenyl]phenyl]-10-phenylanthracene
CID 123523837
9-(4-naphthalen-1-ylphenyl)-10-[4-(3-phenylphenyl)phenyl]anthracene
CID 59398966
9-naphthalen-1-yl-10-[3-(4-naphthalen-1-ylphenyl)phenyl]anthracene
CID 142696935
9-(4-naphthalen-1-ylphenyl)-10-[3-(6-phenylnaphthalen-2-yl)phenyl]anthracene
CID 58856435
9-(4-naphthalen-1-ylphenyl)-10-(4-naphthalen-2-ylphenyl)anthracene;9-(4-naphthalen-1-ylphenyl)-10-[3-(4-naphthalen-2-ylphenyl)phenyl]anthracene
CID 159854260
9-(3-naphthalen-2-ylphenyl)-10-[6-(4-naphthalen-1-ylphenyl)naphthalen-2-yl]anthracene
CID 123921245
2-[3-[10-(4-naphthalen-1-ylphenyl)anthracen-9-yl]phenyl]triphenylene
CID 59583018
9-[3-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]-10-(4-naphthalen-1-ylphenyl)anthracene
CID 58856463
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
1-[4-[3-(4-naphthalen-1-ylphenyl)phenyl]phenyl]naphthalene
CID 10983707
9-naphthalen-1-yl-10-[4-(4-naphthalen-1-ylnaphthalen-1-yl)phenyl]anthracene;9-naphthalen-1-yl-10-[4-(4-phenylnaphthalen-1-yl)phenyl]anthracene;9-naphthalen-1-yl-10-[4-(3-phenylphenyl)phenyl]anthracene
CID 159990389

Frequently Asked Questions

What is the IUPAC name of 9-(4-naphthalen-1-ylphenyl)-10-[3-(4-naphthalen-1-ylphenyl)phenyl]anthracene?
The IUPAC name of 9-(4-naphthalen-1-ylphenyl)-10-[3-(4-naphthalen-1-ylphenyl)phenyl]anthracene (CID 58426694) is 9-(4-naphthalen-1-ylphenyl)-10-[3-(4-naphthalen-1-ylphenyl)phenyl]anthracene.
What is the SMILES notation for 9-(4-naphthalen-1-ylphenyl)-10-[3-(4-naphthalen-1-ylphenyl)phenyl]anthracene?
The canonical SMILES for 9-(4-naphthalen-1-ylphenyl)-10-[3-(4-naphthalen-1-ylphenyl)phenyl]anthracene is c1cc(-c2ccc(-c3cccc4ccccc34)cc2)cc(-c2c3ccccc3c(-c3ccc(-c4cccc5ccccc45)cc3)c3ccccc23)c1.
What is the InChIKey of 9-(4-naphthalen-1-ylphenyl)-10-[3-(4-naphthalen-1-ylphenyl)phenyl]anthracene?
The InChIKey is RBFWAXLBXTWXHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H34/c1-3-18-43-36(12-1)14-10-24-45(43)38-28-26-35(27-29-38)41-16-9-17-42(34-41)52-49-22-7-5-20-47(49)51(48-21-6-8-23-50(48)52)40-32-30-39(31-33-40)46-25-11-15-37-13-2-4-19-44(37)46/h1-34H.
What are the key properties of 9-(4-naphthalen-1-ylphenyl)-10-[3-(4-naphthalen-1-ylphenyl)phenyl]anthracene?
9-(4-naphthalen-1-ylphenyl)-10-[3-(4-naphthalen-1-ylphenyl)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-(4-naphthalen-1-ylphenyl)-10-[3-(4-naphthalen-1-ylphenyl)phenyl]anthracene is sourced from PubChem (CID 58426694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).