9-(5-naphthalen-1-yl-2-phenylphenyl)-10-phenylanthracene

C42H28 — CID 141366540

IUPAC9-(5-naphthalen-1-yl-2-phenylphenyl)-10-phenylanthracene
SMILESc1ccc(-c2ccc(-c3cccc4ccccc34)cc2-c2c3ccccc3c(-c3ccccc3)c3ccccc23)cc1
InChIInChI=1S/C42H28/c1-3-14-29(15-4-1)35-27-26-32(34-25-13-19-30-16-7-8-20-33(30)34)28-40(35)42-38-23-11-9-21-36(38)41(31-17-5-2-6-18-31)37-22-10-12-24-39(37)42/h1-28H
InChIKeyLRBAWZMJABYXCU-UHFFFAOYSA-N
MW532.69 g/mol
LogP11.81
Rot. Bonds4

About 9-(5-naphthalen-1-yl-2-phenylphenyl)-10-phenylanthracene

9-(5-naphthalen-1-yl-2-phenylphenyl)-10-phenylanthracene (PubChem CID 141366540) has the molecular formula C42H28 and a molecular weight of 532.69 g/mol. Its IUPAC name is 9-(5-naphthalen-1-yl-2-phenylphenyl)-10-phenylanthracene.

Molecular Properties

Compound Name9-(5-naphthalen-1-yl-2-phenylphenyl)-10-phenylanthracene
PubChem CID141366540
Molecular FormulaC42H28
Molecular Weight532.69 g/mol
Exact Mass532.22
IUPAC Name9-(5-naphthalen-1-yl-2-phenylphenyl)-10-phenylanthracene
SMILESc1ccc(-c2ccc(-c3cccc4ccccc34)cc2-c2c3ccccc3c(-c3ccccc3)c3ccccc23)cc1
InChIInChI=1S/C42H28/c1-3-14-29(15-4-1)35-27-26-32(34-25-13-19-30-16-7-8-20-33(30)34)28-40(35)42-38-23-11-9-21-36(38)41(31-17-5-2-6-18-31)37-22-10-12-24-39(37)42/h1-28H
InChIKeyLRBAWZMJABYXCU-UHFFFAOYSA-N
XLogP11.81
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500532.69
LogP ≤ 511.81
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

2,9-dinaphthalen-1-yl-10-phenylanthracene;9-naphthalen-1-yl-10-phenyl-2-(5-phenylnaphthalen-1-yl)anthracene
CID 162243145
9-(2-naphthalen-1-ylphenyl)-10-[2-(4-phenylphenyl)phenyl]anthracene;9-(3-naphthalen-1-ylphenyl)-10-[2-(4-phenylphenyl)phenyl]anthracene;9-(4-naphthalen-1-ylphenyl)-10-[2-(4-phenylphenyl)phenyl]anthracene;9-(4-phenylphenyl)-10-[2-(4-phenylphenyl)phenyl]anthracene
CID 158722566
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
9-(6-naphthalen-1-ylnaphthalen-1-yl)-10-phenylanthracene
CID 123682471
2-naphthalen-1-yl-9,10-bis(2-phenylphenyl)anthracene
CID 157347994
9-(4-naphthalen-1-ylphenyl)-10-[4-(3-phenylphenyl)phenyl]anthracene
CID 59398966
10-naphthalen-1-yl-9-(3-naphthalen-1-ylphenyl)-2-(2-phenylphenyl)anthracene
CID 58323579
9-(3-naphthalen-1-ylphenyl)-10-[4-(1-phenylnaphthalen-2-yl)phenyl]anthracene
CID 59413134
9-(4-naphthalen-1-ylphenyl)-10-[4-[10-(4-naphthalen-1-ylphenyl)anthracen-9-yl]phenyl]anthracene
CID 59557524
9-naphthalen-1-yl-10-[3-[3-[4-[10-(4-naphthalen-1-ylphenyl)anthracen-9-yl]phenyl]naphthalen-2-yl]phenyl]anthracene
CID 168786911
2-naphthalen-1-yl-9,10-bis(3-phenylphenyl)anthracene;2-naphthalen-1-yl-10-(2-phenylphenyl)-9-(4-phenylphenyl)anthracene;2-naphthalen-1-yl-10-(3-phenylphenyl)-9-(4-phenylphenyl)anthracene;2-phenyl-10-(2-phenylphenyl)-9-(4-phenylphenyl)anthracene;2-phenyl-10-(3-phenylphenyl)-9-(4-phenylphenyl)anthracene
CID 157235562
9-[8-(4-naphthalen-1-ylphenyl)naphthalen-2-yl]-10-phenylanthracene
CID 144837308

Frequently Asked Questions

What is the IUPAC name of 9-(5-naphthalen-1-yl-2-phenylphenyl)-10-phenylanthracene?
The IUPAC name of 9-(5-naphthalen-1-yl-2-phenylphenyl)-10-phenylanthracene (CID 141366540) is 9-(5-naphthalen-1-yl-2-phenylphenyl)-10-phenylanthracene.
What is the SMILES notation for 9-(5-naphthalen-1-yl-2-phenylphenyl)-10-phenylanthracene?
The canonical SMILES for 9-(5-naphthalen-1-yl-2-phenylphenyl)-10-phenylanthracene is c1ccc(-c2ccc(-c3cccc4ccccc34)cc2-c2c3ccccc3c(-c3ccccc3)c3ccccc23)cc1.
What is the InChIKey of 9-(5-naphthalen-1-yl-2-phenylphenyl)-10-phenylanthracene?
The InChIKey is LRBAWZMJABYXCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H28/c1-3-14-29(15-4-1)35-27-26-32(34-25-13-19-30-16-7-8-20-33(30)34)28-40(35)42-38-23-11-9-21-36(38)41(31-17-5-2-6-18-31)37-22-10-12-24-39(37)42/h1-28H.
What are the key properties of 9-(5-naphthalen-1-yl-2-phenylphenyl)-10-phenylanthracene?
9-(5-naphthalen-1-yl-2-phenylphenyl)-10-phenylanthracene has a molecular weight of 532.69 g/mol, XLogP of 11.81, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(5-naphthalen-1-yl-2-phenylphenyl)-10-phenylanthracene is sourced from PubChem (CID 141366540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).