9-naphthalen-1-yl-10-naphthalen-2-yl-2,6-diphenylanthracene

C46H30 — CID 123330330

IUPAC9-naphthalen-1-yl-10-naphthalen-2-yl-2,6-diphenylanthracene
SMILESc1ccc(-c2ccc3c(-c4cccc5ccccc45)c4cc(-c5ccccc5)ccc4c(-c4ccc5ccccc5c4)c3c2)cc1
InChIInChI=1S/C46H30/c1-3-12-31(13-4-1)36-25-27-42-43(29-36)45(38-23-22-33-16-7-8-18-35(33)28-38)41-26-24-37(32-14-5-2-6-15-32)30-44(41)46(42)40-21-11-19-34-17-9-10-20-39(34)40/h1-30H
InChIKeyFTKOENDUNBNGNJ-UHFFFAOYSA-N
MW582.75 g/mol
LogP12.97
Rot. Bonds4

About 9-naphthalen-1-yl-10-naphthalen-2-yl-2,6-diphenylanthracene

9-naphthalen-1-yl-10-naphthalen-2-yl-2,6-diphenylanthracene (PubChem CID 123330330) has the molecular formula C46H30 and a molecular weight of 582.75 g/mol. Its IUPAC name is 9-naphthalen-1-yl-10-naphthalen-2-yl-2,6-diphenylanthracene.

Molecular Properties

Compound Name9-naphthalen-1-yl-10-naphthalen-2-yl-2,6-diphenylanthracene
PubChem CID123330330
Molecular FormulaC46H30
Molecular Weight582.75 g/mol
Exact Mass582.23
IUPAC Name9-naphthalen-1-yl-10-naphthalen-2-yl-2,6-diphenylanthracene
SMILESc1ccc(-c2ccc3c(-c4cccc5ccccc45)c4cc(-c5ccccc5)ccc4c(-c4ccc5ccccc5c4)c3c2)cc1
InChIInChI=1S/C46H30/c1-3-12-31(13-4-1)36-25-27-42-43(29-36)45(38-23-22-33-16-7-8-18-35(33)28-38)41-26-24-37(32-14-5-2-6-15-32)30-44(41)46(42)40-21-11-19-34-17-9-10-20-39(34)40/h1-30H
InChIKeyFTKOENDUNBNGNJ-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

10-naphthalen-1-yl-9-naphthalen-2-yl-2-(4-phenylphenyl)anthracene
CID 59766348
9,10-dinaphthalen-1-yl-2-phenylanthracene;2-naphthalen-2-yl-9,10-diphenylanthracene;10-naphthalen-1-yl-2-naphthalen-2-yl-9-phenylanthracene;9-naphthalen-1-yl-2-phenyl-10-(4-phenylphenyl)anthracene;9-naphthalen-2-yl-2-phenyl-10-(4-phenylphenyl)anthracene;2-phenyl-9,10-bis(4-phenylphenyl)anthracene
CID 161337169
10-naphthalen-1-yl-9-(4-naphthalen-2-ylphenyl)-2-phenylanthracene
CID 58322799
9-naphthalen-2-yl-10-phenanthren-2-yl-2,6-diphenylanthracene;9-naphthalen-1-yl-10-phenanthren-3-yl-2-phenylanthracene;10-naphthalen-1-yl-9-phenanthren-3-yl-2-phenylanthracene;10-naphthalen-2-yl-9-phenanthren-2-yl-2-phenylanthracene
CID 161355195
9,10-bis(4-phenylphenyl)-2-[10-(4-phenylphenyl)anthracen-9-yl]anthracene;10-naphthalen-1-yl-2-(4-naphthalen-1-ylphenyl)-9-phenylanthracene;10-naphthalen-2-yl-2-(4-naphthalen-1-ylphenyl)-9-phenylanthracene
CID 157246826
10-naphthalen-1-yl-2-naphthalen-2-yl-9-(4-naphthalen-2-ylphenyl)anthracene
CID 58193908
9-naphthalen-1-yl-2,6-dinaphthalen-2-yl-10-(4-naphthalen-2-ylphenyl)anthracene
CID 159201170
2-[4-(9-naphthalen-1-yl-10-naphthalen-2-ylanthracen-2-yl)phenyl]-4,6-diphenyl-1,3,5-triazine
CID 58233412
9-naphthalen-1-yl-10-(4-naphthalen-2-ylphenyl)-2-(2-phenylphenyl)anthracene
CID 140856123
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
9,10-dinaphthalen-1-ylanthracene;9,10-dinaphthalen-2-ylanthracene;9,10-diphenylanthracene;9-naphthalen-1-yl-10-naphthalen-2-ylanthracene;9-naphthalen-1-yl-10-(3-naphthalen-2-ylphenyl)anthracene;9-naphthalen-1-yl-10-(3-phenylphenyl)anthracene
CID 159190052

Frequently Asked Questions

What is the IUPAC name of 9-naphthalen-1-yl-10-naphthalen-2-yl-2,6-diphenylanthracene?
The IUPAC name of 9-naphthalen-1-yl-10-naphthalen-2-yl-2,6-diphenylanthracene (CID 123330330) is 9-naphthalen-1-yl-10-naphthalen-2-yl-2,6-diphenylanthracene.
What is the SMILES notation for 9-naphthalen-1-yl-10-naphthalen-2-yl-2,6-diphenylanthracene?
The canonical SMILES for 9-naphthalen-1-yl-10-naphthalen-2-yl-2,6-diphenylanthracene is c1ccc(-c2ccc3c(-c4cccc5ccccc45)c4cc(-c5ccccc5)ccc4c(-c4ccc5ccccc5c4)c3c2)cc1.
What is the InChIKey of 9-naphthalen-1-yl-10-naphthalen-2-yl-2,6-diphenylanthracene?
The InChIKey is FTKOENDUNBNGNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H30/c1-3-12-31(13-4-1)36-25-27-42-43(29-36)45(38-23-22-33-16-7-8-18-35(33)28-38)41-26-24-37(32-14-5-2-6-15-32)30-44(41)46(42)40-21-11-19-34-17-9-10-20-39(34)40/h1-30H.
What are the key properties of 9-naphthalen-1-yl-10-naphthalen-2-yl-2,6-diphenylanthracene?
9-naphthalen-1-yl-10-naphthalen-2-yl-2,6-diphenylanthracene 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-naphthalen-1-yl-10-naphthalen-2-yl-2,6-diphenylanthracene is sourced from PubChem (CID 123330330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).