2-naphthalen-2-yl-7-(4-naphthalen-2-ylphenyl)-9-phenylphenanthrene

C46H30 — CID 59638827

IUPAC2-naphthalen-2-yl-7-(4-naphthalen-2-ylphenyl)-9-phenylphenanthrene
SMILESc1ccc(-c2cc3cc(-c4ccc5ccccc5c4)ccc3c3ccc(-c4ccc(-c5ccc6ccccc6c5)cc4)cc23)cc1
InChIInChI=1S/C46H30/c1-2-10-35(11-3-1)45-30-42-28-40(39-21-19-32-9-5-7-13-37(32)27-39)22-24-43(42)44-25-23-41(29-46(44)45)34-16-14-33(15-17-34)38-20-18-31-8-4-6-12-36(31)26-38/h1-30H
InChIKeyBGCPLJAPGKFMTL-UHFFFAOYSA-N
MW582.75 g/mol
LogP12.97
Rot. Bonds4

About 2-naphthalen-2-yl-7-(4-naphthalen-2-ylphenyl)-9-phenylphenanthrene

2-naphthalen-2-yl-7-(4-naphthalen-2-ylphenyl)-9-phenylphenanthrene (PubChem CID 59638827) has the molecular formula C46H30 and a molecular weight of 582.75 g/mol. Its IUPAC name is 2-naphthalen-2-yl-7-(4-naphthalen-2-ylphenyl)-9-phenylphenanthrene.

Molecular Properties

Compound Name2-naphthalen-2-yl-7-(4-naphthalen-2-ylphenyl)-9-phenylphenanthrene
PubChem CID59638827
Molecular FormulaC46H30
Molecular Weight582.75 g/mol
Exact Mass582.23
IUPAC Name2-naphthalen-2-yl-7-(4-naphthalen-2-ylphenyl)-9-phenylphenanthrene
SMILESc1ccc(-c2cc3cc(-c4ccc5ccccc5c4)ccc3c3ccc(-c4ccc(-c5ccc6ccccc6c5)cc4)cc23)cc1
InChIInChI=1S/C46H30/c1-2-10-35(11-3-1)45-30-42-28-40(39-21-19-32-9-5-7-13-37(32)27-39)22-24-43(42)44-25-23-41(29-46(44)45)34-16-14-33(15-17-34)38-20-18-31-8-4-6-12-36(31)26-38/h1-30H
InChIKeyBGCPLJAPGKFMTL-UHFFFAOYSA-N
XLogP12.97
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500582.75
LogP ≤ 512.97
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-naphthalen-2-yl-7-(4-naphthalen-2-ylphenyl)-9-phenylphenanthrene?
The IUPAC name of 2-naphthalen-2-yl-7-(4-naphthalen-2-ylphenyl)-9-phenylphenanthrene (CID 59638827) is 2-naphthalen-2-yl-7-(4-naphthalen-2-ylphenyl)-9-phenylphenanthrene.
What is the SMILES notation for 2-naphthalen-2-yl-7-(4-naphthalen-2-ylphenyl)-9-phenylphenanthrene?
The canonical SMILES for 2-naphthalen-2-yl-7-(4-naphthalen-2-ylphenyl)-9-phenylphenanthrene is c1ccc(-c2cc3cc(-c4ccc5ccccc5c4)ccc3c3ccc(-c4ccc(-c5ccc6ccccc6c5)cc4)cc23)cc1.
What is the InChIKey of 2-naphthalen-2-yl-7-(4-naphthalen-2-ylphenyl)-9-phenylphenanthrene?
The InChIKey is BGCPLJAPGKFMTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H30/c1-2-10-35(11-3-1)45-30-42-28-40(39-21-19-32-9-5-7-13-37(32)27-39)22-24-43(42)44-25-23-41(29-46(44)45)34-16-14-33(15-17-34)38-20-18-31-8-4-6-12-36(31)26-38/h1-30H.
What are the key properties of 2-naphthalen-2-yl-7-(4-naphthalen-2-ylphenyl)-9-phenylphenanthrene?
2-naphthalen-2-yl-7-(4-naphthalen-2-ylphenyl)-9-phenylphenanthrene has a molecular weight of 582.75 g/mol, XLogP of 12.97, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-naphthalen-2-yl-7-(4-naphthalen-2-ylphenyl)-9-phenylphenanthrene is sourced from PubChem (CID 59638827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).