2-naphthalen-2-yl-9-(3-naphthalen-1-ylphenyl)-10-phenylphenanthrene

C46H30 — CID 59638681

IUPAC2-naphthalen-2-yl-9-(3-naphthalen-1-ylphenyl)-10-phenylphenanthrene
SMILESc1ccc(-c2c(-c3cccc(-c4cccc5ccccc45)c3)c3ccccc3c3ccc(-c4ccc5ccccc5c4)cc23)cc1
InChIInChI=1S/C46H30/c1-2-14-33(15-3-1)45-44-30-36(35-25-24-31-12-4-5-16-34(31)28-35)26-27-42(44)41-21-8-9-22-43(41)46(45)38-19-10-18-37(29-38)40-23-11-17-32-13-6-7-20-39(32)40/h1-30H
InChIKeyJKKQNLXFTPSOJB-UHFFFAOYSA-N
MW582.75 g/mol
LogP12.97
Rot. Bonds4

About 2-naphthalen-2-yl-9-(3-naphthalen-1-ylphenyl)-10-phenylphenanthrene

2-naphthalen-2-yl-9-(3-naphthalen-1-ylphenyl)-10-phenylphenanthrene (PubChem CID 59638681) has the molecular formula C46H30 and a molecular weight of 582.75 g/mol. Its IUPAC name is 2-naphthalen-2-yl-9-(3-naphthalen-1-ylphenyl)-10-phenylphenanthrene.

Molecular Properties

Compound Name2-naphthalen-2-yl-9-(3-naphthalen-1-ylphenyl)-10-phenylphenanthrene
PubChem CID59638681
Molecular FormulaC46H30
Molecular Weight582.75 g/mol
Exact Mass582.23
IUPAC Name2-naphthalen-2-yl-9-(3-naphthalen-1-ylphenyl)-10-phenylphenanthrene
SMILESc1ccc(-c2c(-c3cccc(-c4cccc5ccccc45)c3)c3ccccc3c3ccc(-c4ccc5ccccc5c4)cc23)cc1
InChIInChI=1S/C46H30/c1-2-14-33(15-3-1)45-44-30-36(35-25-24-31-12-4-5-16-34(31)28-35)26-27-42(44)41-21-8-9-22-43(41)46(45)38-19-10-18-37(29-38)40-23-11-17-32-13-6-7-20-39(32)40/h1-30H
InChIKeyJKKQNLXFTPSOJB-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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Related Compounds

2,6-dinaphthalen-1-yl-9-naphthalen-2-yl-10-(3-phenylphenyl)anthracene
CID 159640682
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
10-(3-naphthalen-2-ylphenyl)-9-(4-naphthalen-1-ylphenyl)-2-phenylanthracene
CID 58323266
2-naphthalen-1-yl-10-(4-naphthalen-1-ylphenyl)-9-phenylanthracene;2-naphthalen-1-yl-10-(4-naphthalen-2-ylphenyl)-9-phenylanthracene;2-naphthalen-2-yl-10-(4-naphthalen-2-ylphenyl)-9-phenylanthracene;9-phenyl-10-[4-(3-phenylphenyl)phenyl]anthracene;9-phenyl-10-[4-[3-(3-phenylphenyl)phenyl]phenyl]anthracene
CID 158805732
2-naphthalen-1-yl-7-(3-naphthalen-1-ylphenyl)-9,10-diphenylphenanthrene
CID 59638737
5-naphthalen-2-yl-8,13-bis(4-naphthalen-1-ylphenyl)-6,11-diphenylbenzo[a]tetracene;5-naphthalen-2-yl-6,8,11,13-tetraphenylbenzo[a]tetracene;5,8,13-trinaphthalen-2-yl-6,11-diphenylbenzo[a]tetracene
CID 158939837
9,10-bis(3,5-diphenylphenyl)-2-(2-phenylphenyl)anthracene;9,10-bis(3-naphthalen-1-ylphenyl)-2-(2-phenylphenyl)anthracene;9,10-bis(3-naphthalen-2-ylphenyl)-2-(2-phenylphenyl)anthracene;9,10-bis(4-naphthalen-1-ylphenyl)-2-(2-phenylphenyl)anthracene;9,10-diphenyl-2-(2-phenylphenyl)anthracene;2-(2-phenylphenyl)-9,10-bis(3-phenylphenyl)anthracene;2-(2-phenylphenyl)-9,10-bis(4-phenylphenyl)anthracene;2-(2-phenylphenyl)-9,10-bis[3-(4-phenylphenyl)phenyl]anthracene
CID 158006720
2-naphthalen-2-yl-9-(3-naphthalen-1-ylphenyl)-10-(3-phenanthren-9-ylphenyl)anthracene
CID 58322858
2,9-dinaphthalen-1-yl-10-(3-naphthalen-2-ylphenyl)anthracene
CID 58323142
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

Frequently Asked Questions

What is the IUPAC name of 2-naphthalen-2-yl-9-(3-naphthalen-1-ylphenyl)-10-phenylphenanthrene?
The IUPAC name of 2-naphthalen-2-yl-9-(3-naphthalen-1-ylphenyl)-10-phenylphenanthrene (CID 59638681) is 2-naphthalen-2-yl-9-(3-naphthalen-1-ylphenyl)-10-phenylphenanthrene.
What is the SMILES notation for 2-naphthalen-2-yl-9-(3-naphthalen-1-ylphenyl)-10-phenylphenanthrene?
The canonical SMILES for 2-naphthalen-2-yl-9-(3-naphthalen-1-ylphenyl)-10-phenylphenanthrene is c1ccc(-c2c(-c3cccc(-c4cccc5ccccc45)c3)c3ccccc3c3ccc(-c4ccc5ccccc5c4)cc23)cc1.
What is the InChIKey of 2-naphthalen-2-yl-9-(3-naphthalen-1-ylphenyl)-10-phenylphenanthrene?
The InChIKey is JKKQNLXFTPSOJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H30/c1-2-14-33(15-3-1)45-44-30-36(35-25-24-31-12-4-5-16-34(31)28-35)26-27-42(44)41-21-8-9-22-43(41)46(45)38-19-10-18-37(29-38)40-23-11-17-32-13-6-7-20-39(32)40/h1-30H.
What are the key properties of 2-naphthalen-2-yl-9-(3-naphthalen-1-ylphenyl)-10-phenylphenanthrene?
2-naphthalen-2-yl-9-(3-naphthalen-1-ylphenyl)-10-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-9-(3-naphthalen-1-ylphenyl)-10-phenylphenanthrene is sourced from PubChem (CID 59638681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).