9-(3-naphthalen-2-ylphenyl)-10-(6-phenanthren-4-ylnaphthalen-2-yl)anthracene

C54H34 — CID 58194478

IUPAC9-(3-naphthalen-2-ylphenyl)-10-(6-phenanthren-4-ylnaphthalen-2-yl)anthracene
SMILESc1cc(-c2ccc3ccccc3c2)cc(-c2c3ccccc3c(-c3ccc4cc(-c5cccc6ccc7ccccc7c56)ccc4c3)c3ccccc23)c1
InChIInChI=1S/C54H34/c1-2-13-38-31-40(26-23-35(38)11-1)39-15-9-16-44(33-39)53-48-18-5-7-20-50(48)54(51-21-8-6-19-49(51)53)45-30-28-41-32-43(29-27-42(41)34-45)47-22-10-14-37-25-24-36-12-3-4-17-46(36)52(37)47/h1-34H
InChIKeyDFUNPRAUGYFCQC-UHFFFAOYSA-N
MW682.87 g/mol
LogP15.27
Rot. Bonds4

About 9-(3-naphthalen-2-ylphenyl)-10-(6-phenanthren-4-ylnaphthalen-2-yl)anthracene

9-(3-naphthalen-2-ylphenyl)-10-(6-phenanthren-4-ylnaphthalen-2-yl)anthracene (PubChem CID 58194478) has the molecular formula C54H34 and a molecular weight of 682.87 g/mol. Its IUPAC name is 9-(3-naphthalen-2-ylphenyl)-10-(6-phenanthren-4-ylnaphthalen-2-yl)anthracene.

Molecular Properties

Compound Name9-(3-naphthalen-2-ylphenyl)-10-(6-phenanthren-4-ylnaphthalen-2-yl)anthracene
PubChem CID58194478
Molecular FormulaC54H34
Molecular Weight682.87 g/mol
Exact Mass682.27
IUPAC Name9-(3-naphthalen-2-ylphenyl)-10-(6-phenanthren-4-ylnaphthalen-2-yl)anthracene
SMILESc1cc(-c2ccc3ccccc3c2)cc(-c2c3ccccc3c(-c3ccc4cc(-c5cccc6ccc7ccccc7c56)ccc4c3)c3ccccc23)c1
InChIInChI=1S/C54H34/c1-2-13-38-31-40(26-23-35(38)11-1)39-15-9-16-44(33-39)53-48-18-5-7-20-50(48)54(51-21-8-6-19-49(51)53)45-30-28-41-32-43(29-27-42(41)34-45)47-22-10-14-37-25-24-36-12-3-4-17-46(36)52(37)47/h1-34H
InChIKeyDFUNPRAUGYFCQC-UHFFFAOYSA-N
XLogP15.27
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500682.87
LogP ≤ 515.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

9-phenanthren-4-yl-10-[6-(4-phenylphenyl)naphthalen-2-yl]anthracene
CID 58194550
9-naphthalen-2-yl-10-[3-(8-naphthalen-2-ylnaphthalen-2-yl)phenyl]anthracene
CID 123993822
9-(4-naphthalen-2-ylphenyl)-10-phenanthren-4-ylanthracene
CID 58194402
1,4,9-trinaphthalen-2-yl-10-(3-naphthalen-2-ylphenyl)anthracene
CID 143913993
9-(2-naphthalen-2-ylphenyl)-10-(3-naphthalen-2-ylphenyl)anthracene
CID 144568902
4-naphthalen-2-yl-9-(3-naphthalen-2-ylphenyl)phenanthrene
CID 59638749
2-naphthalen-1-yl-9,10-bis(3-naphthalen-2-ylphenyl)anthracene
CID 58322960
2-naphthalen-2-yl-10-(3-naphthalen-1-ylphenyl)-9-(3-naphthalen-2-ylphenyl)anthracene
CID 58323030
2-naphthalen-1-yl-10-naphthalen-2-yl-9-(3-naphthalen-2-ylphenyl)anthracene
CID 58322767
9,10-bis(3-naphthalen-1-ylphenyl)anthracene;9,10-bis(3-naphthalen-2-ylphenyl)anthracene;9-(3-naphthalen-1-ylphenyl)-10-(4-phenylphenyl)anthracene;9-(3-naphthalen-2-ylphenyl)-10-(4-phenylphenyl)anthracene
CID 159387221
7-(3-naphthalen-1-ylphenyl)-12-(4-naphthalen-2-ylphenyl)benzo[a]anthracene
CID 58535955
9-(3-naphthalen-2-ylphenyl)-10-[6-(4-naphthalen-1-ylphenyl)naphthalen-2-yl]anthracene
CID 123921245

Frequently Asked Questions

What is the IUPAC name of 9-(3-naphthalen-2-ylphenyl)-10-(6-phenanthren-4-ylnaphthalen-2-yl)anthracene?
The IUPAC name of 9-(3-naphthalen-2-ylphenyl)-10-(6-phenanthren-4-ylnaphthalen-2-yl)anthracene (CID 58194478) is 9-(3-naphthalen-2-ylphenyl)-10-(6-phenanthren-4-ylnaphthalen-2-yl)anthracene.
What is the SMILES notation for 9-(3-naphthalen-2-ylphenyl)-10-(6-phenanthren-4-ylnaphthalen-2-yl)anthracene?
The canonical SMILES for 9-(3-naphthalen-2-ylphenyl)-10-(6-phenanthren-4-ylnaphthalen-2-yl)anthracene is c1cc(-c2ccc3ccccc3c2)cc(-c2c3ccccc3c(-c3ccc4cc(-c5cccc6ccc7ccccc7c56)ccc4c3)c3ccccc23)c1.
What is the InChIKey of 9-(3-naphthalen-2-ylphenyl)-10-(6-phenanthren-4-ylnaphthalen-2-yl)anthracene?
The InChIKey is DFUNPRAUGYFCQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H34/c1-2-13-38-31-40(26-23-35(38)11-1)39-15-9-16-44(33-39)53-48-18-5-7-20-50(48)54(51-21-8-6-19-49(51)53)45-30-28-41-32-43(29-27-42(41)34-45)47-22-10-14-37-25-24-36-12-3-4-17-46(36)52(37)47/h1-34H.
What are the key properties of 9-(3-naphthalen-2-ylphenyl)-10-(6-phenanthren-4-ylnaphthalen-2-yl)anthracene?
9-(3-naphthalen-2-ylphenyl)-10-(6-phenanthren-4-ylnaphthalen-2-yl)anthracene has a molecular weight of 682.87 g/mol, XLogP of 15.27, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(3-naphthalen-2-ylphenyl)-10-(6-phenanthren-4-ylnaphthalen-2-yl)anthracene is sourced from PubChem (CID 58194478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).