10-naphthalen-2-yl-1-(4-phenylphenyl)anthracene

C36H24 — CID 173141630

IUPAC10-naphthalen-2-yl-1-(4-phenylphenyl)anthracene
SMILESc1ccc(-c2ccc(-c3cccc4c(-c5ccc6ccccc6c5)c5ccccc5cc34)cc2)cc1
InChIInChI=1S/C36H24/c1-2-9-25(10-3-1)27-17-20-28(21-18-27)32-15-8-16-34-35(32)24-30-13-6-7-14-33(30)36(34)31-22-19-26-11-4-5-12-29(26)23-31/h1-24H
InChIKeyKUPDMRMQUDDGPN-UHFFFAOYSA-N
MW456.59 g/mol
LogP10.15
Rot. Bonds3

About 10-naphthalen-2-yl-1-(4-phenylphenyl)anthracene

10-naphthalen-2-yl-1-(4-phenylphenyl)anthracene (PubChem CID 173141630) has the molecular formula C36H24 and a molecular weight of 456.59 g/mol. Its IUPAC name is 10-naphthalen-2-yl-1-(4-phenylphenyl)anthracene.

Molecular Properties

Compound Name10-naphthalen-2-yl-1-(4-phenylphenyl)anthracene
PubChem CID173141630
Molecular FormulaC36H24
Molecular Weight456.59 g/mol
Exact Mass456.19
IUPAC Name10-naphthalen-2-yl-1-(4-phenylphenyl)anthracene
SMILESc1ccc(-c2ccc(-c3cccc4c(-c5ccc6ccccc6c5)c5ccccc5cc34)cc2)cc1
InChIInChI=1S/C36H24/c1-2-9-25(10-3-1)27-17-20-28(21-18-27)32-15-8-16-34-35(32)24-30-13-6-7-14-33(30)36(34)31-22-19-26-11-4-5-12-29(26)23-31/h1-24H
InChIKeyKUPDMRMQUDDGPN-UHFFFAOYSA-N
XLogP10.15
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms36
Complexity

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500456.59
LogP ≤ 510.15
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

Frequently Asked Questions

What is the IUPAC name of 10-naphthalen-2-yl-1-(4-phenylphenyl)anthracene?
The IUPAC name of 10-naphthalen-2-yl-1-(4-phenylphenyl)anthracene (CID 173141630) is 10-naphthalen-2-yl-1-(4-phenylphenyl)anthracene.
What is the SMILES notation for 10-naphthalen-2-yl-1-(4-phenylphenyl)anthracene?
The canonical SMILES for 10-naphthalen-2-yl-1-(4-phenylphenyl)anthracene is c1ccc(-c2ccc(-c3cccc4c(-c5ccc6ccccc6c5)c5ccccc5cc34)cc2)cc1.
What is the InChIKey of 10-naphthalen-2-yl-1-(4-phenylphenyl)anthracene?
The InChIKey is KUPDMRMQUDDGPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H24/c1-2-9-25(10-3-1)27-17-20-28(21-18-27)32-15-8-16-34-35(32)24-30-13-6-7-14-33(30)36(34)31-22-19-26-11-4-5-12-29(26)23-31/h1-24H.
What are the key properties of 10-naphthalen-2-yl-1-(4-phenylphenyl)anthracene?
10-naphthalen-2-yl-1-(4-phenylphenyl)anthracene has a molecular weight of 456.59 g/mol, XLogP of 10.15, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 10-naphthalen-2-yl-1-(4-phenylphenyl)anthracene is sourced from PubChem (CID 173141630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).