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

C46H30 — CID 58875728

IUPAC9,10-dinaphthalen-1-yl-2-(2-phenylphenyl)anthracene
SMILESc1ccc(-c2ccccc2-c2ccc3c(-c4cccc5ccccc45)c4ccccc4c(-c4cccc5ccccc45)c3c2)cc1
InChIInChI=1S/C46H30/c1-2-14-31(15-3-1)35-20-8-9-23-38(35)34-28-29-43-44(30-34)46(40-27-13-19-33-17-5-7-22-37(33)40)42-25-11-10-24-41(42)45(43)39-26-12-18-32-16-4-6-21-36(32)39/h1-30H
InChIKeyUXLJDZMPMMWYQQ-UHFFFAOYSA-N
MW582.75 g/mol
LogP12.97
Rot. Bonds4

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

9,10-dinaphthalen-1-yl-2-(2-phenylphenyl)anthracene (PubChem CID 58875728) has the molecular formula C46H30 and a molecular weight of 582.75 g/mol. Its IUPAC name is 9,10-dinaphthalen-1-yl-2-(2-phenylphenyl)anthracene.

Molecular Properties

Compound Name9,10-dinaphthalen-1-yl-2-(2-phenylphenyl)anthracene
PubChem CID58875728
Molecular FormulaC46H30
Molecular Weight582.75 g/mol
Exact Mass582.23
IUPAC Name9,10-dinaphthalen-1-yl-2-(2-phenylphenyl)anthracene
SMILESc1ccc(-c2ccccc2-c2ccc3c(-c4cccc5ccccc45)c4ccccc4c(-c4cccc5ccccc45)c3c2)cc1
InChIInChI=1S/C46H30/c1-2-14-31(15-3-1)35-20-8-9-23-38(35)34-28-29-43-44(30-34)46(40-27-13-19-33-17-5-7-22-37(33)40)42-25-11-10-24-41(42)45(43)39-26-12-18-32-16-4-6-21-36(32)39/h1-30H
InChIKeyUXLJDZMPMMWYQQ-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

2-naphthalen-1-yl-9,10-bis(2-phenylphenyl)anthracene
CID 157347994
10-naphthalen-1-yl-9-(3-naphthalen-1-ylphenyl)-2-(2-phenylphenyl)anthracene
CID 58323579
9-naphthalen-1-yl-2-phenyl-10-(2-phenylphenyl)anthracene
CID 58323636
2,9-dinaphthalen-1-yl-10-phenylanthracene;9-naphthalen-1-yl-10-phenyl-2-(5-phenylnaphthalen-1-yl)anthracene
CID 162243145
9-naphthalen-1-yl-2-(9-naphthalen-1-yl-10-phenylanthracen-2-yl)-10-phenylanthracene
CID 59557553
10-naphthalen-1-yl-2-naphthalen-2-yl-9-(2-phenylphenyl)anthracene
CID 58323519
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
10-naphthalen-1-yl-2-(4-naphthalen-1-ylphenyl)-9-(4-phenylphenyl)anthracene
CID 58323245
9-naphthalen-1-yl-10-(4-naphthalen-2-ylphenyl)-2-(2-phenylphenyl)anthracene
CID 140856123
9,10-dinaphthalen-1-yl-2-phenylanthracene;ethane
CID 160747045
2,9-dinaphthalen-1-yl-10-(3-naphthalen-1-ylphenyl)anthracene
CID 58322939
2-naphthalen-1-yl-9-phenanthren-9-yl-10-(2-phenylphenyl)anthracene
CID 58322909

Frequently Asked Questions

What is the IUPAC name of 9,10-dinaphthalen-1-yl-2-(2-phenylphenyl)anthracene?
The IUPAC name of 9,10-dinaphthalen-1-yl-2-(2-phenylphenyl)anthracene (CID 58875728) is 9,10-dinaphthalen-1-yl-2-(2-phenylphenyl)anthracene.
What is the SMILES notation for 9,10-dinaphthalen-1-yl-2-(2-phenylphenyl)anthracene?
The canonical SMILES for 9,10-dinaphthalen-1-yl-2-(2-phenylphenyl)anthracene is c1ccc(-c2ccccc2-c2ccc3c(-c4cccc5ccccc45)c4ccccc4c(-c4cccc5ccccc45)c3c2)cc1.
What is the InChIKey of 9,10-dinaphthalen-1-yl-2-(2-phenylphenyl)anthracene?
The InChIKey is UXLJDZMPMMWYQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H30/c1-2-14-31(15-3-1)35-20-8-9-23-38(35)34-28-29-43-44(30-34)46(40-27-13-19-33-17-5-7-22-37(33)40)42-25-11-10-24-41(42)45(43)39-26-12-18-32-16-4-6-21-36(32)39/h1-30H.
What are the key properties of 9,10-dinaphthalen-1-yl-2-(2-phenylphenyl)anthracene?
9,10-dinaphthalen-1-yl-2-(2-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 9,10-dinaphthalen-1-yl-2-(2-phenylphenyl)anthracene is sourced from PubChem (CID 58875728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).