2,10-dinaphthalen-1-yl-9-(3-phenylphenyl)anthracene

C46H30 — CID 58323483

IUPAC2,10-dinaphthalen-1-yl-9-(3-phenylphenyl)anthracene
SMILESc1ccc(-c2cccc(-c3c4ccccc4c(-c4cccc5ccccc45)c4ccc(-c5cccc6ccccc56)cc34)c2)cc1
InChIInChI=1S/C46H30/c1-2-13-31(14-3-1)34-19-10-20-36(29-34)45-41-23-8-9-24-42(41)46(40-26-12-18-33-16-5-7-22-38(33)40)43-28-27-35(30-44(43)45)39-25-11-17-32-15-4-6-21-37(32)39/h1-30H
InChIKeyWJMHJSLOCVUDFK-UHFFFAOYSA-N
MW582.75 g/mol
LogP12.97
Rot. Bonds4

About 2,10-dinaphthalen-1-yl-9-(3-phenylphenyl)anthracene

2,10-dinaphthalen-1-yl-9-(3-phenylphenyl)anthracene (PubChem CID 58323483) has the molecular formula C46H30 and a molecular weight of 582.75 g/mol. Its IUPAC name is 2,10-dinaphthalen-1-yl-9-(3-phenylphenyl)anthracene.

Molecular Properties

Compound Name2,10-dinaphthalen-1-yl-9-(3-phenylphenyl)anthracene
PubChem CID58323483
Molecular FormulaC46H30
Molecular Weight582.75 g/mol
Exact Mass582.23
IUPAC Name2,10-dinaphthalen-1-yl-9-(3-phenylphenyl)anthracene
SMILESc1ccc(-c2cccc(-c3c4ccccc4c(-c4cccc5ccccc45)c4ccc(-c5cccc6ccccc56)cc34)c2)cc1
InChIInChI=1S/C46H30/c1-2-13-31(14-3-1)34-19-10-20-36(29-34)45-41-23-8-9-24-42(41)46(40-26-12-18-33-16-5-7-22-38(33)40)43-28-27-35(30-44(43)45)39-25-11-17-32-15-4-6-21-37(32)39/h1-30H
InChIKeyWJMHJSLOCVUDFK-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_2', 'substructure': 'N/A'}

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Related Compounds

9-naphthalen-1-yl-2-phenyl-10-(3-phenylphenyl)anthracene
CID 58323615
10-naphthalen-1-yl-2-phenyl-9-(3-phenylphenyl)anthracene
CID 58323039
9-(3,5-dinaphthalen-1-ylphenyl)-10-naphthalen-1-yl-2-phenylanthracene
CID 58323308
2,9-dinaphthalen-1-yl-10-(3-naphthalen-1-ylphenyl)anthracene
CID 58322939
10-naphthalen-1-yl-9-(3-naphthalen-1-ylphenyl)-2-(2-phenylphenyl)anthracene
CID 58323579
2-naphthalen-1-yl-9,10-bis(3-phenylphenyl)anthracene;2-naphthalen-1-yl-10-(2-phenylphenyl)-9-(4-phenylphenyl)anthracene;2-naphthalen-1-yl-10-(3-phenylphenyl)-9-(4-phenylphenyl)anthracene;2-phenyl-10-(2-phenylphenyl)-9-(4-phenylphenyl)anthracene;2-phenyl-10-(3-phenylphenyl)-9-(4-phenylphenyl)anthracene
CID 157235562
10-naphthalen-1-yl-2-(4-naphthalen-1-ylphenyl)-9-(4-phenylphenyl)anthracene
CID 58323245
9-naphthalen-1-yl-2,6-diphenyl-10-(5-phenylnaphthalen-1-yl)anthracene;10-naphthalen-1-yl-2-phenyl-9-(5-phenylnaphthalen-1-yl)anthracene;2,7,10-triphenyl-9-(5-phenylnaphthalen-1-yl)anthracene
CID 163914119
2-naphthalen-1-yl-9,10-bis(3-naphthalen-1-ylphenyl)anthracene
CID 58323021
9-naphthalen-1-yl-2,6-diphenyl-10-(4-phenylphenyl)anthracene;9-naphthalen-1-yl-10-(3-naphthalen-1-ylphenyl)-2,6-diphenylanthracene;1,5,9-trinaphthalen-1-yl-10-(3-phenylphenyl)anthracene
CID 159156782
2,6-dinaphthalen-1-yl-9-naphthalen-2-yl-10-(3-phenylphenyl)anthracene
CID 159640682
2,9-dinaphthalen-1-yl-10-(3-naphthalen-2-ylphenyl)anthracene
CID 58323142

Frequently Asked Questions

What is the IUPAC name of 2,10-dinaphthalen-1-yl-9-(3-phenylphenyl)anthracene?
The IUPAC name of 2,10-dinaphthalen-1-yl-9-(3-phenylphenyl)anthracene (CID 58323483) is 2,10-dinaphthalen-1-yl-9-(3-phenylphenyl)anthracene.
What is the SMILES notation for 2,10-dinaphthalen-1-yl-9-(3-phenylphenyl)anthracene?
The canonical SMILES for 2,10-dinaphthalen-1-yl-9-(3-phenylphenyl)anthracene is c1ccc(-c2cccc(-c3c4ccccc4c(-c4cccc5ccccc45)c4ccc(-c5cccc6ccccc56)cc34)c2)cc1.
What is the InChIKey of 2,10-dinaphthalen-1-yl-9-(3-phenylphenyl)anthracene?
The InChIKey is WJMHJSLOCVUDFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H30/c1-2-13-31(14-3-1)34-19-10-20-36(29-34)45-41-23-8-9-24-42(41)46(40-26-12-18-33-16-5-7-22-38(33)40)43-28-27-35(30-44(43)45)39-25-11-17-32-15-4-6-21-37(32)39/h1-30H.
What are the key properties of 2,10-dinaphthalen-1-yl-9-(3-phenylphenyl)anthracene?
2,10-dinaphthalen-1-yl-9-(3-phenylphenyl)anthracene 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 2,10-dinaphthalen-1-yl-9-(3-phenylphenyl)anthracene is sourced from PubChem (CID 58323483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).