9-[8-(4-naphthalen-1-ylphenyl)naphthalen-2-yl]-10-phenylanthracene

C46H30 — CID 144837308

IUPAC9-[8-(4-naphthalen-1-ylphenyl)naphthalen-2-yl]-10-phenylanthracene
SMILESc1ccc(-c2c3ccccc3c(-c3ccc4cccc(-c5ccc(-c6cccc7ccccc67)cc5)c4c3)c3ccccc23)cc1
InChIInChI=1S/C46H30/c1-2-13-35(14-3-1)45-40-18-6-8-20-42(40)46(43-21-9-7-19-41(43)45)36-29-28-32-16-11-23-39(44(32)30-36)34-26-24-33(25-27-34)38-22-10-15-31-12-4-5-17-37(31)38/h1-30H
InChIKeyCGKQXSGDWTYMBC-UHFFFAOYSA-N
MW582.75 g/mol
LogP12.97
Rot. Bonds4

About 9-[8-(4-naphthalen-1-ylphenyl)naphthalen-2-yl]-10-phenylanthracene

9-[8-(4-naphthalen-1-ylphenyl)naphthalen-2-yl]-10-phenylanthracene (PubChem CID 144837308) has the molecular formula C46H30 and a molecular weight of 582.75 g/mol. Its IUPAC name is 9-[8-(4-naphthalen-1-ylphenyl)naphthalen-2-yl]-10-phenylanthracene.

Molecular Properties

Compound Name9-[8-(4-naphthalen-1-ylphenyl)naphthalen-2-yl]-10-phenylanthracene
PubChem CID144837308
Molecular FormulaC46H30
Molecular Weight582.75 g/mol
Exact Mass582.23
IUPAC Name9-[8-(4-naphthalen-1-ylphenyl)naphthalen-2-yl]-10-phenylanthracene
SMILESc1ccc(-c2c3ccccc3c(-c3ccc4cccc(-c5ccc(-c6cccc7ccccc67)cc5)c4c3)c3ccccc23)cc1
InChIInChI=1S/C46H30/c1-2-13-35(14-3-1)45-40-18-6-8-20-42(40)46(43-21-9-7-19-41(43)45)36-29-28-32-16-11-23-39(44(32)30-36)34-26-24-33(25-27-34)38-22-10-15-31-12-4-5-17-37(31)38/h1-30H
InChIKeyCGKQXSGDWTYMBC-UHFFFAOYSA-N
XLogP12.97
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500582.75
LogP ≤ 512.97
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-(4-methylphenyl)naphthalen-2-yl]-10-phenylanthracene
CID 144837262
9-(4-methylphenyl)-10-[8-(4-phenylphenyl)naphthalen-2-yl]anthracene
CID 144837228
9-(4-naphthalen-1-ylphenyl)-10-[3-(4-phenylphenyl)phenyl]anthracene
CID 144568905
9-naphthalen-1-yl-10-[7-[8-[10-(4-naphthalen-1-ylphenyl)anthracen-9-yl]naphthalen-2-yl]naphthalen-1-yl]anthracene
CID 172546641
9-[3-[3-(4-naphthalen-1-ylphenyl)phenyl]phenyl]-10-phenylanthracene
CID 123523837
9-[8-(3-naphthalen-1-ylphenyl)-7-phenylnaphthalen-2-yl]-10-phenylanthracene
CID 144837284
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
3-[10-(3-naphthalen-1-ylphenyl)anthracen-9-yl]-9-phenylphenanthrene
CID 140942160
9-[8-(3-phenanthren-9-ylphenyl)naphthalen-2-yl]-10-phenylanthracene
CID 144837293
9-(3-naphthalen-1-ylphenyl)-10-[4-(1-phenylnaphthalen-2-yl)phenyl]anthracene
CID 59413134

Frequently Asked Questions

What is the IUPAC name of 9-[8-(4-naphthalen-1-ylphenyl)naphthalen-2-yl]-10-phenylanthracene?
The IUPAC name of 9-[8-(4-naphthalen-1-ylphenyl)naphthalen-2-yl]-10-phenylanthracene (CID 144837308) is 9-[8-(4-naphthalen-1-ylphenyl)naphthalen-2-yl]-10-phenylanthracene.
What is the SMILES notation for 9-[8-(4-naphthalen-1-ylphenyl)naphthalen-2-yl]-10-phenylanthracene?
The canonical SMILES for 9-[8-(4-naphthalen-1-ylphenyl)naphthalen-2-yl]-10-phenylanthracene is c1ccc(-c2c3ccccc3c(-c3ccc4cccc(-c5ccc(-c6cccc7ccccc67)cc5)c4c3)c3ccccc23)cc1.
What is the InChIKey of 9-[8-(4-naphthalen-1-ylphenyl)naphthalen-2-yl]-10-phenylanthracene?
The InChIKey is CGKQXSGDWTYMBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H30/c1-2-13-35(14-3-1)45-40-18-6-8-20-42(40)46(43-21-9-7-19-41(43)45)36-29-28-32-16-11-23-39(44(32)30-36)34-26-24-33(25-27-34)38-22-10-15-31-12-4-5-17-37(31)38/h1-30H.
What are the key properties of 9-[8-(4-naphthalen-1-ylphenyl)naphthalen-2-yl]-10-phenylanthracene?
9-[8-(4-naphthalen-1-ylphenyl)naphthalen-2-yl]-10-phenylanthracene has a molecular weight of 582.75 g/mol, XLogP of 12.97, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[8-(4-naphthalen-1-ylphenyl)naphthalen-2-yl]-10-phenylanthracene is sourced from PubChem (CID 144837308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).