2-(4-naphthalen-2-ylphenyl)-7-[7-(4-phenylphenyl)phenanthren-2-yl]phenanthrene

C56H36 — CID 59629194

IUPAC2-(4-naphthalen-2-ylphenyl)-7-[7-(4-phenylphenyl)phenanthren-2-yl]phenanthrene
SMILESc1ccc(-c2ccc(-c3ccc4c(ccc5cc(-c6ccc7c(ccc8cc(-c9ccc(-c%10ccc%11ccccc%11c%10)cc9)ccc87)c6)ccc54)c3)cc2)cc1
InChIInChI=1S/C56H36/c1-2-6-37(7-3-1)39-10-12-41(13-11-39)45-24-28-53-49(33-45)20-22-51-35-47(26-30-55(51)53)48-27-31-56-52(36-48)23-21-50-34-46(25-29-54(50)56)42-16-14-40(15-17-42)44-19-18-38-8-4-5-9-43(38)32-44/h1-36H
InChIKeyFDECKXYLKCPEFK-UHFFFAOYSA-N
MW708.90 g/mol
LogP15.79
Rot. Bonds5

About 2-(4-naphthalen-2-ylphenyl)-7-[7-(4-phenylphenyl)phenanthren-2-yl]phenanthrene

2-(4-naphthalen-2-ylphenyl)-7-[7-(4-phenylphenyl)phenanthren-2-yl]phenanthrene (PubChem CID 59629194) has the molecular formula C56H36 and a molecular weight of 708.90 g/mol. Its IUPAC name is 2-(4-naphthalen-2-ylphenyl)-7-[7-(4-phenylphenyl)phenanthren-2-yl]phenanthrene.

Molecular Properties

Compound Name2-(4-naphthalen-2-ylphenyl)-7-[7-(4-phenylphenyl)phenanthren-2-yl]phenanthrene
PubChem CID59629194
Molecular FormulaC56H36
Molecular Weight708.90 g/mol
Exact Mass708.28
IUPAC Name2-(4-naphthalen-2-ylphenyl)-7-[7-(4-phenylphenyl)phenanthren-2-yl]phenanthrene
SMILESc1ccc(-c2ccc(-c3ccc4c(ccc5cc(-c6ccc7c(ccc8cc(-c9ccc(-c%10ccc%11ccccc%11c%10)cc9)ccc87)c6)ccc54)c3)cc2)cc1
InChIInChI=1S/C56H36/c1-2-6-37(7-3-1)39-10-12-41(13-11-39)45-24-28-53-49(33-45)20-22-51-35-47(26-30-55(51)53)48-27-31-56-52(36-48)23-21-50-34-46(25-29-54(50)56)42-16-14-40(15-17-42)44-19-18-38-8-4-5-9-43(38)32-44/h1-36H
InChIKeyFDECKXYLKCPEFK-UHFFFAOYSA-N
XLogP15.79
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500708.90
LogP ≤ 515.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(4-naphthalen-2-ylphenyl)-7-[7-(4-phenylphenyl)phenanthren-2-yl]phenanthrene?
The IUPAC name of 2-(4-naphthalen-2-ylphenyl)-7-[7-(4-phenylphenyl)phenanthren-2-yl]phenanthrene (CID 59629194) is 2-(4-naphthalen-2-ylphenyl)-7-[7-(4-phenylphenyl)phenanthren-2-yl]phenanthrene.
What is the SMILES notation for 2-(4-naphthalen-2-ylphenyl)-7-[7-(4-phenylphenyl)phenanthren-2-yl]phenanthrene?
The canonical SMILES for 2-(4-naphthalen-2-ylphenyl)-7-[7-(4-phenylphenyl)phenanthren-2-yl]phenanthrene is c1ccc(-c2ccc(-c3ccc4c(ccc5cc(-c6ccc7c(ccc8cc(-c9ccc(-c%10ccc%11ccccc%11c%10)cc9)ccc87)c6)ccc54)c3)cc2)cc1.
What is the InChIKey of 2-(4-naphthalen-2-ylphenyl)-7-[7-(4-phenylphenyl)phenanthren-2-yl]phenanthrene?
The InChIKey is FDECKXYLKCPEFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H36/c1-2-6-37(7-3-1)39-10-12-41(13-11-39)45-24-28-53-49(33-45)20-22-51-35-47(26-30-55(51)53)48-27-31-56-52(36-48)23-21-50-34-46(25-29-54(50)56)42-16-14-40(15-17-42)44-19-18-38-8-4-5-9-43(38)32-44/h1-36H.
What are the key properties of 2-(4-naphthalen-2-ylphenyl)-7-[7-(4-phenylphenyl)phenanthren-2-yl]phenanthrene?
2-(4-naphthalen-2-ylphenyl)-7-[7-(4-phenylphenyl)phenanthren-2-yl]phenanthrene has a molecular weight of 708.90 g/mol, XLogP of 15.79, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-naphthalen-2-ylphenyl)-7-[7-(4-phenylphenyl)phenanthren-2-yl]phenanthrene is sourced from PubChem (CID 59629194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).