9-[8-(3-naphthalen-1-ylphenyl)-7-phenylnaphthalen-2-yl]-10-phenylanthracene

C52H34 — CID 144837284

IUPAC9-[8-(3-naphthalen-1-ylphenyl)-7-phenylnaphthalen-2-yl]-10-phenylanthracene
SMILESc1ccc(-c2ccc3ccc(-c4c5ccccc5c(-c5ccccc5)c5ccccc45)cc3c2-c2cccc(-c3cccc4ccccc34)c2)cc1
InChIInChI=1S/C52H34/c1-3-15-36(16-4-1)44-32-31-37-29-30-41(34-49(37)51(44)40-22-13-21-39(33-40)43-28-14-20-35-17-7-8-23-42(35)43)52-47-26-11-9-24-45(47)50(38-18-5-2-6-19-38)46-25-10-12-27-48(46)52/h1-34H
InChIKeyKYCDOIXPHKPGJI-UHFFFAOYSA-N
MW658.84 g/mol
LogP14.63
Rot. Bonds5

About 9-[8-(3-naphthalen-1-ylphenyl)-7-phenylnaphthalen-2-yl]-10-phenylanthracene

9-[8-(3-naphthalen-1-ylphenyl)-7-phenylnaphthalen-2-yl]-10-phenylanthracene (PubChem CID 144837284) has the molecular formula C52H34 and a molecular weight of 658.84 g/mol. Its IUPAC name is 9-[8-(3-naphthalen-1-ylphenyl)-7-phenylnaphthalen-2-yl]-10-phenylanthracene.

Molecular Properties

Compound Name9-[8-(3-naphthalen-1-ylphenyl)-7-phenylnaphthalen-2-yl]-10-phenylanthracene
PubChem CID144837284
Molecular FormulaC52H34
Molecular Weight658.84 g/mol
Exact Mass658.27
IUPAC Name9-[8-(3-naphthalen-1-ylphenyl)-7-phenylnaphthalen-2-yl]-10-phenylanthracene
SMILESc1ccc(-c2ccc3ccc(-c4c5ccccc5c(-c5ccccc5)c5ccccc45)cc3c2-c2cccc(-c3cccc4ccccc34)c2)cc1
InChIInChI=1S/C52H34/c1-3-15-36(16-4-1)44-32-31-37-29-30-41(34-49(37)51(44)40-22-13-21-39(33-40)43-28-14-20-35-17-7-8-23-42(35)43)52-47-26-11-9-24-45(47)50(38-18-5-2-6-19-38)46-25-10-12-27-48(46)52/h1-34H
InChIKeyKYCDOIXPHKPGJI-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-(3-naphthalen-1-ylphenyl)-10-[4-(1-phenylnaphthalen-2-yl)phenyl]anthracene
CID 59413134
9-[8-(4-naphthalen-1-ylphenyl)naphthalen-2-yl]-10-phenylanthracene
CID 144837308
9-phenyl-10-[7-phenyl-8-[4-(2-phenylphenyl)phenyl]naphthalen-2-yl]anthracene
CID 144837407
9,10-bis[3-(1-phenylnaphthalen-2-yl)phenyl]anthracene
CID 59413167
9-[7-naphthalen-2-yl-8-[3-(4-phenylphenyl)phenyl]naphthalen-2-yl]-10-phenylanthracene
CID 144837172
3-[10-(3-naphthalen-1-ylphenyl)anthracen-9-yl]-9-phenylphenanthrene
CID 140942160
9-[3-(1-naphthalen-2-ylnaphthalen-2-yl)phenyl]-10-[4-(2-phenylnaphthalen-1-yl)phenyl]anthracene
CID 59413105
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
9,10-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-(4-naphthalen-1-ylphenyl)-10-[3-(6-phenylnaphthalen-2-yl)phenyl]anthracene
CID 58856435
9-(4-naphthalen-1-ylphenyl)-10-[4-(3-phenylphenyl)phenyl]anthracene
CID 59398966

Frequently Asked Questions

What is the IUPAC name of 9-[8-(3-naphthalen-1-ylphenyl)-7-phenylnaphthalen-2-yl]-10-phenylanthracene?
The IUPAC name of 9-[8-(3-naphthalen-1-ylphenyl)-7-phenylnaphthalen-2-yl]-10-phenylanthracene (CID 144837284) is 9-[8-(3-naphthalen-1-ylphenyl)-7-phenylnaphthalen-2-yl]-10-phenylanthracene.
What is the SMILES notation for 9-[8-(3-naphthalen-1-ylphenyl)-7-phenylnaphthalen-2-yl]-10-phenylanthracene?
The canonical SMILES for 9-[8-(3-naphthalen-1-ylphenyl)-7-phenylnaphthalen-2-yl]-10-phenylanthracene is c1ccc(-c2ccc3ccc(-c4c5ccccc5c(-c5ccccc5)c5ccccc45)cc3c2-c2cccc(-c3cccc4ccccc34)c2)cc1.
What is the InChIKey of 9-[8-(3-naphthalen-1-ylphenyl)-7-phenylnaphthalen-2-yl]-10-phenylanthracene?
The InChIKey is KYCDOIXPHKPGJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H34/c1-3-15-36(16-4-1)44-32-31-37-29-30-41(34-49(37)51(44)40-22-13-21-39(33-40)43-28-14-20-35-17-7-8-23-42(35)43)52-47-26-11-9-24-45(47)50(38-18-5-2-6-19-38)46-25-10-12-27-48(46)52/h1-34H.
What are the key properties of 9-[8-(3-naphthalen-1-ylphenyl)-7-phenylnaphthalen-2-yl]-10-phenylanthracene?
9-[8-(3-naphthalen-1-ylphenyl)-7-phenylnaphthalen-2-yl]-10-phenylanthracene 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-[8-(3-naphthalen-1-ylphenyl)-7-phenylnaphthalen-2-yl]-10-phenylanthracene is sourced from PubChem (CID 144837284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).