2-naphthalen-2-yl-10-phenanthren-9-yl-9-(2-phenylphenyl)anthracene

C50H32 — CID 58323367

IUPAC2-naphthalen-2-yl-10-phenanthren-9-yl-9-(2-phenylphenyl)anthracene
SMILESc1ccc(-c2ccccc2-c2c3ccccc3c(-c3cc4ccccc4c4ccccc34)c3ccc(-c4ccc5ccccc5c4)cc23)cc1
InChIInChI=1S/C50H32/c1-2-15-34(16-3-1)39-19-8-11-23-43(39)49-44-24-12-13-25-45(44)50(47-32-38-18-6-7-20-40(38)41-21-9-10-22-42(41)47)46-29-28-37(31-48(46)49)36-27-26-33-14-4-5-17-35(33)30-36/h1-32H
InChIKeyBYZWUVCCDWRKOI-UHFFFAOYSA-N
MW632.81 g/mol
LogP14.12
Rot. Bonds4

About 2-naphthalen-2-yl-10-phenanthren-9-yl-9-(2-phenylphenyl)anthracene

2-naphthalen-2-yl-10-phenanthren-9-yl-9-(2-phenylphenyl)anthracene (PubChem CID 58323367) has the molecular formula C50H32 and a molecular weight of 632.81 g/mol. Its IUPAC name is 2-naphthalen-2-yl-10-phenanthren-9-yl-9-(2-phenylphenyl)anthracene.

Molecular Properties

Compound Name2-naphthalen-2-yl-10-phenanthren-9-yl-9-(2-phenylphenyl)anthracene
PubChem CID58323367
Molecular FormulaC50H32
Molecular Weight632.81 g/mol
Exact Mass632.25
IUPAC Name2-naphthalen-2-yl-10-phenanthren-9-yl-9-(2-phenylphenyl)anthracene
SMILESc1ccc(-c2ccccc2-c2c3ccccc3c(-c3cc4ccccc4c4ccccc34)c3ccc(-c4ccc5ccccc5c4)cc23)cc1
InChIInChI=1S/C50H32/c1-2-15-34(16-3-1)39-19-8-11-23-43(39)49-44-24-12-13-25-45(44)50(47-32-38-18-6-7-20-40(38)41-21-9-10-22-42(41)47)46-29-28-37(31-48(46)49)36-27-26-33-14-4-5-17-35(33)30-36/h1-32H
InChIKeyBYZWUVCCDWRKOI-UHFFFAOYSA-N
XLogP14.12
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500632.81
LogP ≤ 514.12
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'}

Analyze 2-naphthalen-2-yl-10-phenanthren-9-yl-9-(2-phenylphenyl)anthracene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

9-(2-naphthalen-2-ylphenyl)-10-phenanthren-9-yl-2-phenylanthracene
CID 58323397
9-phenanthren-9-yl-2-phenyl-10-[2-(4-phenylphenyl)phenyl]anthracene
CID 59793185
10-naphthalen-2-yl-9-(2-phenanthren-9-ylphenyl)-2-phenylanthracene
CID 58322690
2-naphthalen-1-yl-10-(2-naphthalen-2-ylphenyl)-9-phenanthren-9-ylanthracene;2-naphthalen-1-yl-10-(3-naphthalen-2-ylphenyl)-9-phenanthren-9-ylanthracene;2-naphthalen-1-yl-10-(4-naphthalen-1-ylphenyl)-9-phenanthren-9-ylanthracene;2-naphthalen-1-yl-10-(4-naphthalen-2-ylphenyl)-9-phenanthren-9-ylanthracene
CID 158312736
10-naphthalen-1-yl-2-naphthalen-2-yl-9-(2-phenylphenyl)anthracene
CID 58323519
9-phenanthren-9-yl-10-[7-(2-phenylphenyl)naphthalen-2-yl]anthracene
CID 123698670
10-phenanthren-9-yl-9-(2-phenanthren-9-ylphenyl)-2-phenylanthracene
CID 58322811
9-phenanthren-9-yl-10-(2-phenylphenyl)anthracene
CID 58050569
2-naphthalen-2-yl-9-(4-naphthalen-1-ylphenyl)-10-phenanthren-9-ylanthracene
CID 58323468
2-naphthalen-1-yl-9-phenanthren-9-yl-10-(2-phenylphenyl)anthracene
CID 58322909
2-naphthalen-2-yl-9-phenanthren-9-yl-10-(3-phenanthren-9-ylphenyl)anthracene
CID 58322853
9-naphthalen-1-yl-10-(10-phenanthren-9-ylanthracen-9-yl)anthracene;9-naphthalen-2-yl-10-(10-phenanthren-9-ylanthracen-9-yl)anthracene;2-[4-(10-phenylanthracen-9-yl)phenyl]triphenylene;2-[10-(4-phenylnaphthalen-1-yl)anthracen-9-yl]triphenylene;9-(4-phenylnaphthalen-1-yl)-10-(4-phenylphenyl)anthracene;9-(2-phenylphenyl)-10-[10-[4-(2-phenylphenyl)phenyl]anthracen-9-yl]anthracene
CID 165097337

Frequently Asked Questions

What is the IUPAC name of 2-naphthalen-2-yl-10-phenanthren-9-yl-9-(2-phenylphenyl)anthracene?
The IUPAC name of 2-naphthalen-2-yl-10-phenanthren-9-yl-9-(2-phenylphenyl)anthracene (CID 58323367) is 2-naphthalen-2-yl-10-phenanthren-9-yl-9-(2-phenylphenyl)anthracene.
What is the SMILES notation for 2-naphthalen-2-yl-10-phenanthren-9-yl-9-(2-phenylphenyl)anthracene?
The canonical SMILES for 2-naphthalen-2-yl-10-phenanthren-9-yl-9-(2-phenylphenyl)anthracene is c1ccc(-c2ccccc2-c2c3ccccc3c(-c3cc4ccccc4c4ccccc34)c3ccc(-c4ccc5ccccc5c4)cc23)cc1.
What is the InChIKey of 2-naphthalen-2-yl-10-phenanthren-9-yl-9-(2-phenylphenyl)anthracene?
The InChIKey is BYZWUVCCDWRKOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H32/c1-2-15-34(16-3-1)39-19-8-11-23-43(39)49-44-24-12-13-25-45(44)50(47-32-38-18-6-7-20-40(38)41-21-9-10-22-42(41)47)46-29-28-37(31-48(46)49)36-27-26-33-14-4-5-17-35(33)30-36/h1-32H.
What are the key properties of 2-naphthalen-2-yl-10-phenanthren-9-yl-9-(2-phenylphenyl)anthracene?
2-naphthalen-2-yl-10-phenanthren-9-yl-9-(2-phenylphenyl)anthracene has a molecular weight of 632.81 g/mol, XLogP of 14.12, 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-10-phenanthren-9-yl-9-(2-phenylphenyl)anthracene is sourced from PubChem (CID 58323367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).