9-(3,5-dinaphthalen-1-ylphenyl)-10-naphthalen-1-yl-2-naphthalen-2-ylanthracene

C60H38 — CID 58323614

IUPAC9-(3,5-dinaphthalen-1-ylphenyl)-10-naphthalen-1-yl-2-naphthalen-2-ylanthracene
SMILESc1ccc2cc(-c3ccc4c(-c5cccc6ccccc56)c5ccccc5c(-c5cc(-c6cccc7ccccc67)cc(-c6cccc7ccccc67)c5)c4c3)ccc2c1
InChIInChI=1S/C60H38/c1-2-18-43-34-44(31-30-39(43)14-1)45-32-33-57-58(38-45)59(55-25-9-10-26-56(55)60(57)54-29-13-21-42-17-5-8-24-51(42)54)48-36-46(52-27-11-19-40-15-3-6-22-49(40)52)35-47(37-48)53-28-12-20-41-16-4-7-23-50(41)53/h1-38H
InChIKeyNLOKMTIYGAAQJW-UHFFFAOYSA-N
MW758.96 g/mol
LogP16.94
Rot. Bonds5

About 9-(3,5-dinaphthalen-1-ylphenyl)-10-naphthalen-1-yl-2-naphthalen-2-ylanthracene

9-(3,5-dinaphthalen-1-ylphenyl)-10-naphthalen-1-yl-2-naphthalen-2-ylanthracene (PubChem CID 58323614) has the molecular formula C60H38 and a molecular weight of 758.96 g/mol. Its IUPAC name is 9-(3,5-dinaphthalen-1-ylphenyl)-10-naphthalen-1-yl-2-naphthalen-2-ylanthracene.

Molecular Properties

Compound Name9-(3,5-dinaphthalen-1-ylphenyl)-10-naphthalen-1-yl-2-naphthalen-2-ylanthracene
PubChem CID58323614
Molecular FormulaC60H38
Molecular Weight758.96 g/mol
Exact Mass758.30
IUPAC Name9-(3,5-dinaphthalen-1-ylphenyl)-10-naphthalen-1-yl-2-naphthalen-2-ylanthracene
SMILESc1ccc2cc(-c3ccc4c(-c5cccc6ccccc56)c5ccccc5c(-c5cc(-c6cccc7ccccc67)cc(-c6cccc7ccccc67)c5)c4c3)ccc2c1
InChIInChI=1S/C60H38/c1-2-18-43-34-44(31-30-39(43)14-1)45-32-33-57-58(38-45)59(55-25-9-10-26-56(55)60(57)54-29-13-21-42-17-5-8-24-51(42)54)48-36-46(52-27-11-19-40-15-3-6-22-49(40)52)35-47(37-48)53-28-12-20-41-16-4-7-23-50(41)53/h1-38H
InChIKeyNLOKMTIYGAAQJW-UHFFFAOYSA-N
XLogP16.94
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500758.96
LogP ≤ 516.94
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

2,9-dinaphthalen-1-yl-10-(3-naphthalen-2-ylphenyl)anthracene
CID 58323142
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-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
9-naphthalen-1-yl-10-naphthalen-2-yl-2,6-diphenylanthracene
CID 123330330
10-naphthalen-1-yl-9-(4-naphthalen-2-ylphenyl)-2-phenylanthracene
CID 58322799
10-naphthalen-1-yl-9-naphthalen-2-yl-2-(4-phenylphenyl)anthracene
CID 59766348
9,10-dinaphthalen-2-yl-2-(4-naphthalen-1-ylphenyl)anthracene
CID 25112576
9-naphthalen-1-yl-2-naphthalen-2-yl-10-(2-naphthalen-2-ylphenyl)anthracene
CID 58323226
9-(3,5-dinaphthalen-1-ylphenyl)-10-naphthalen-1-yl-2-phenylanthracene
CID 58323308

Frequently Asked Questions

What is the IUPAC name of 9-(3,5-dinaphthalen-1-ylphenyl)-10-naphthalen-1-yl-2-naphthalen-2-ylanthracene?
The IUPAC name of 9-(3,5-dinaphthalen-1-ylphenyl)-10-naphthalen-1-yl-2-naphthalen-2-ylanthracene (CID 58323614) is 9-(3,5-dinaphthalen-1-ylphenyl)-10-naphthalen-1-yl-2-naphthalen-2-ylanthracene.
What is the SMILES notation for 9-(3,5-dinaphthalen-1-ylphenyl)-10-naphthalen-1-yl-2-naphthalen-2-ylanthracene?
The canonical SMILES for 9-(3,5-dinaphthalen-1-ylphenyl)-10-naphthalen-1-yl-2-naphthalen-2-ylanthracene is c1ccc2cc(-c3ccc4c(-c5cccc6ccccc56)c5ccccc5c(-c5cc(-c6cccc7ccccc67)cc(-c6cccc7ccccc67)c5)c4c3)ccc2c1.
What is the InChIKey of 9-(3,5-dinaphthalen-1-ylphenyl)-10-naphthalen-1-yl-2-naphthalen-2-ylanthracene?
The InChIKey is NLOKMTIYGAAQJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H38/c1-2-18-43-34-44(31-30-39(43)14-1)45-32-33-57-58(38-45)59(55-25-9-10-26-56(55)60(57)54-29-13-21-42-17-5-8-24-51(42)54)48-36-46(52-27-11-19-40-15-3-6-22-49(40)52)35-47(37-48)53-28-12-20-41-16-4-7-23-50(41)53/h1-38H.
What are the key properties of 9-(3,5-dinaphthalen-1-ylphenyl)-10-naphthalen-1-yl-2-naphthalen-2-ylanthracene?
9-(3,5-dinaphthalen-1-ylphenyl)-10-naphthalen-1-yl-2-naphthalen-2-ylanthracene has a molecular weight of 758.96 g/mol, XLogP of 16.94, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(3,5-dinaphthalen-1-ylphenyl)-10-naphthalen-1-yl-2-naphthalen-2-ylanthracene is sourced from PubChem (CID 58323614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).