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

C54H34 — CID 58194491

IUPAC9-(3-naphthalen-2-ylphenyl)-10-(6-phenanthren-3-ylnaphthalen-2-yl)anthracene
SMILESc1cc(-c2ccc3ccccc3c2)cc(-c2c3ccccc3c(-c3ccc4cc(-c5ccc6ccc7ccccc7c6c5)ccc4c3)c3ccccc23)c1
InChIInChI=1S/C54H34/c1-2-12-38-30-40(24-20-35(38)10-1)39-13-9-14-45(32-39)53-48-16-5-7-18-50(48)54(51-19-8-6-17-49(51)53)46-29-28-41-31-42(26-27-43(41)33-46)44-25-23-37-22-21-36-11-3-4-15-47(36)52(37)34-44/h1-34H
InChIKeyFQPOEWMKNLWUEB-UHFFFAOYSA-N
MW682.87 g/mol
LogP15.27
Rot. Bonds4

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

9-(3-naphthalen-2-ylphenyl)-10-(6-phenanthren-3-ylnaphthalen-2-yl)anthracene (PubChem CID 58194491) 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-3-ylnaphthalen-2-yl)anthracene.

Molecular Properties

Compound Name9-(3-naphthalen-2-ylphenyl)-10-(6-phenanthren-3-ylnaphthalen-2-yl)anthracene
PubChem CID58194491
Molecular FormulaC54H34
Molecular Weight682.87 g/mol
Exact Mass682.27
IUPAC Name9-(3-naphthalen-2-ylphenyl)-10-(6-phenanthren-3-ylnaphthalen-2-yl)anthracene
SMILESc1cc(-c2ccc3ccccc3c2)cc(-c2c3ccccc3c(-c3ccc4cc(-c5ccc6ccc7ccccc7c6c5)ccc4c3)c3ccccc23)c1
InChIInChI=1S/C54H34/c1-2-12-38-30-40(24-20-35(38)10-1)39-13-9-14-45(32-39)53-48-16-5-7-18-50(48)54(51-19-8-6-17-49(51)53)46-29-28-41-31-42(26-27-43(41)33-46)44-25-23-37-22-21-36-11-3-4-15-47(36)52(37)34-44/h1-34H
InChIKeyFQPOEWMKNLWUEB-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-(6-naphthalen-2-ylnaphthalen-2-yl)-10-phenanthren-3-ylanthracene
CID 58194365
9-(7-naphthalen-2-ylnaphthalen-2-yl)-10-(3-naphthalen-2-ylphenyl)anthracene
CID 140927427
2-[3-[10-(3-naphthalen-2-ylphenyl)anthracen-9-yl]phenyl]triphenylene
CID 59583027
5,12-bis(3-naphthalen-2-ylphenyl)tetracene
CID 58434984
9-naphthalen-2-yl-10-[3-(8-naphthalen-2-ylnaphthalen-2-yl)phenyl]anthracene
CID 123993822
9-naphthalen-2-yl-2-(3-naphthalen-2-ylphenyl)-10-(4-naphthalen-2-ylphenyl)anthracene
CID 162700922
9-(4-naphthalen-2-ylphenyl)-10-(3-phenylphenyl)anthracene
CID 58151267
9-naphthalen-2-yl-10-[7-[7-[3-(10-phenylanthracen-9-yl)phenyl]naphthalen-2-yl]naphthalen-2-yl]anthracene
CID 172546693
9-(3-naphthalen-2-ylphenyl)-10-[4-(4-phenylphenyl)phenyl]anthracene
CID 144568868
9-[3,5-bis[4-(3-phenylphenyl)phenyl]phenyl]-10-naphthalen-2-ylanthracene
CID 58965758
9-(4-naphthalen-2-ylphenyl)-10-[3-(3-phenylphenyl)phenyl]anthracene
CID 144568832
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 9-(3-naphthalen-2-ylphenyl)-10-(6-phenanthren-3-ylnaphthalen-2-yl)anthracene?
The IUPAC name of 9-(3-naphthalen-2-ylphenyl)-10-(6-phenanthren-3-ylnaphthalen-2-yl)anthracene (CID 58194491) is 9-(3-naphthalen-2-ylphenyl)-10-(6-phenanthren-3-ylnaphthalen-2-yl)anthracene.
What is the SMILES notation for 9-(3-naphthalen-2-ylphenyl)-10-(6-phenanthren-3-ylnaphthalen-2-yl)anthracene?
The canonical SMILES for 9-(3-naphthalen-2-ylphenyl)-10-(6-phenanthren-3-ylnaphthalen-2-yl)anthracene is c1cc(-c2ccc3ccccc3c2)cc(-c2c3ccccc3c(-c3ccc4cc(-c5ccc6ccc7ccccc7c6c5)ccc4c3)c3ccccc23)c1.
What is the InChIKey of 9-(3-naphthalen-2-ylphenyl)-10-(6-phenanthren-3-ylnaphthalen-2-yl)anthracene?
The InChIKey is FQPOEWMKNLWUEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H34/c1-2-12-38-30-40(24-20-35(38)10-1)39-13-9-14-45(32-39)53-48-16-5-7-18-50(48)54(51-19-8-6-17-49(51)53)46-29-28-41-31-42(26-27-43(41)33-46)44-25-23-37-22-21-36-11-3-4-15-47(36)52(37)34-44/h1-34H.
What are the key properties of 9-(3-naphthalen-2-ylphenyl)-10-(6-phenanthren-3-ylnaphthalen-2-yl)anthracene?
9-(3-naphthalen-2-ylphenyl)-10-(6-phenanthren-3-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-3-ylnaphthalen-2-yl)anthracene is sourced from PubChem (CID 58194491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).