2-naphthalen-2-yl-6-(3-naphthalen-2-yl-5-phenylphenyl)anthracene

C46H30 — CID 143886275

IUPAC2-naphthalen-2-yl-6-(3-naphthalen-2-yl-5-phenylphenyl)anthracene
SMILESc1ccc(-c2cc(-c3ccc4ccccc4c3)cc(-c3ccc4cc5cc(-c6ccc7ccccc7c6)ccc5cc4c3)c2)cc1
InChIInChI=1S/C46H30/c1-2-8-31(9-3-1)42-28-45(38-17-15-33-11-5-7-13-35(33)23-38)30-46(29-42)41-21-20-40-25-43-24-37(18-19-39(43)26-44(40)27-41)36-16-14-32-10-4-6-12-34(32)22-36/h1-30H
InChIKeyROMINTHHQKUUTI-UHFFFAOYSA-N
MW582.75 g/mol
LogP12.97
Rot. Bonds4

About 2-naphthalen-2-yl-6-(3-naphthalen-2-yl-5-phenylphenyl)anthracene

2-naphthalen-2-yl-6-(3-naphthalen-2-yl-5-phenylphenyl)anthracene (PubChem CID 143886275) has the molecular formula C46H30 and a molecular weight of 582.75 g/mol. Its IUPAC name is 2-naphthalen-2-yl-6-(3-naphthalen-2-yl-5-phenylphenyl)anthracene.

Molecular Properties

Compound Name2-naphthalen-2-yl-6-(3-naphthalen-2-yl-5-phenylphenyl)anthracene
PubChem CID143886275
Molecular FormulaC46H30
Molecular Weight582.75 g/mol
Exact Mass582.23
IUPAC Name2-naphthalen-2-yl-6-(3-naphthalen-2-yl-5-phenylphenyl)anthracene
SMILESc1ccc(-c2cc(-c3ccc4ccccc4c3)cc(-c3ccc4cc5cc(-c6ccc7ccccc7c6)ccc5cc4c3)c2)cc1
InChIInChI=1S/C46H30/c1-2-8-31(9-3-1)42-28-45(38-17-15-33-11-5-7-13-35(33)23-38)30-46(29-42)41-21-20-40-25-43-24-37(18-19-39(43)26-44(40)27-41)36-16-14-32-10-4-6-12-34(32)22-36/h1-30H
InChIKeyROMINTHHQKUUTI-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

2,7-diphenylanthracene
CID 154020316
2-[3-(4-methylphenyl)-5-(4-phenylphenyl)phenyl]naphthalene
CID 156673302
benzo[f]azulene
CID 13065869
9,10-bis(3-naphthalen-2-yl-5-phenylphenyl)anthracene
CID 59557528
2-naphthalen-2-yl-4-(7-naphthalen-2-ylnaphthalen-2-yl)-6-(6-phenylnaphthalen-2-yl)-1,3,5-triazine
CID 176588187
9-[3,5-bis[4-(3-phenylphenyl)phenyl]phenyl]-10-naphthalen-2-ylanthracene
CID 58965758
2-[3-[3-[3-(3-naphthalen-2-yl-5-phenylphenyl)phenyl]phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 121311605
2,4-bis(3,5-diphenylphenyl)-6-naphthalen-2-yl-1,3,5-triazine;2-[3,5-bis(4-naphthalen-2-ylphenyl)phenyl]naphthalene;2-naphthalen-2-yl-4,6-bis(3-naphthalen-2-ylphenyl)-1,3,5-triazine
CID 163792749
9-[6-(3-naphthalen-2-yl-5-phenylphenyl)naphthalen-2-yl]-10-phenylanthracene
CID 58590127
2-(4-naphthalen-2-ylphenyl)-7-[7-(4-phenylphenyl)phenanthren-2-yl]phenanthrene
CID 59629194
2,4-dinaphthalen-2-yl-6-[6-[3-(3-phenylphenyl)phenyl]naphthalen-2-yl]-1,3,5-triazine
CID 164745871
9-[3-(3,5-diphenylphenyl)phenyl]-10-[4-(3-naphthalen-2-ylphenyl)phenyl]anthracene
CID 59798540

Frequently Asked Questions

What is the IUPAC name of 2-naphthalen-2-yl-6-(3-naphthalen-2-yl-5-phenylphenyl)anthracene?
The IUPAC name of 2-naphthalen-2-yl-6-(3-naphthalen-2-yl-5-phenylphenyl)anthracene (CID 143886275) is 2-naphthalen-2-yl-6-(3-naphthalen-2-yl-5-phenylphenyl)anthracene.
What is the SMILES notation for 2-naphthalen-2-yl-6-(3-naphthalen-2-yl-5-phenylphenyl)anthracene?
The canonical SMILES for 2-naphthalen-2-yl-6-(3-naphthalen-2-yl-5-phenylphenyl)anthracene is c1ccc(-c2cc(-c3ccc4ccccc4c3)cc(-c3ccc4cc5cc(-c6ccc7ccccc7c6)ccc5cc4c3)c2)cc1.
What is the InChIKey of 2-naphthalen-2-yl-6-(3-naphthalen-2-yl-5-phenylphenyl)anthracene?
The InChIKey is ROMINTHHQKUUTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H30/c1-2-8-31(9-3-1)42-28-45(38-17-15-33-11-5-7-13-35(33)23-38)30-46(29-42)41-21-20-40-25-43-24-37(18-19-39(43)26-44(40)27-41)36-16-14-32-10-4-6-12-34(32)22-36/h1-30H.
What are the key properties of 2-naphthalen-2-yl-6-(3-naphthalen-2-yl-5-phenylphenyl)anthracene?
2-naphthalen-2-yl-6-(3-naphthalen-2-yl-5-phenylphenyl)anthracene 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 2-naphthalen-2-yl-6-(3-naphthalen-2-yl-5-phenylphenyl)anthracene is sourced from PubChem (CID 143886275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).