9-naphthalen-1-yl-2,6-dinaphthalen-2-yl-10-(4-naphthalen-2-ylphenyl)anthracene

C60H38 — CID 159201170

IUPAC9-naphthalen-1-yl-2,6-dinaphthalen-2-yl-10-(4-naphthalen-2-ylphenyl)anthracene
SMILESc1ccc2cc(-c3ccc(-c4c5cc(-c6ccc7ccccc7c6)ccc5c(-c5cccc6ccccc56)c5cc(-c6ccc7ccccc7c6)ccc45)cc3)ccc2c1
InChIInChI=1S/C60H38/c1-4-14-45-34-48(27-22-39(45)10-1)42-20-25-44(26-21-42)59-55-32-30-52(50-29-24-41-12-3-6-16-47(41)36-50)38-58(55)60(54-19-9-17-43-13-7-8-18-53(43)54)56-33-31-51(37-57(56)59)49-28-23-40-11-2-5-15-46(40)35-49/h1-38H
InChIKeyGYELUTQGYWFWBE-UHFFFAOYSA-N
MW758.96 g/mol
LogP16.94
Rot. Bonds5

About 9-naphthalen-1-yl-2,6-dinaphthalen-2-yl-10-(4-naphthalen-2-ylphenyl)anthracene

9-naphthalen-1-yl-2,6-dinaphthalen-2-yl-10-(4-naphthalen-2-ylphenyl)anthracene (PubChem CID 159201170) has the molecular formula C60H38 and a molecular weight of 758.96 g/mol. Its IUPAC name is 9-naphthalen-1-yl-2,6-dinaphthalen-2-yl-10-(4-naphthalen-2-ylphenyl)anthracene.

Molecular Properties

Compound Name9-naphthalen-1-yl-2,6-dinaphthalen-2-yl-10-(4-naphthalen-2-ylphenyl)anthracene
PubChem CID159201170
Molecular FormulaC60H38
Molecular Weight758.96 g/mol
Exact Mass758.30
IUPAC Name9-naphthalen-1-yl-2,6-dinaphthalen-2-yl-10-(4-naphthalen-2-ylphenyl)anthracene
SMILESc1ccc2cc(-c3ccc(-c4c5cc(-c6ccc7ccccc7c6)ccc5c(-c5cccc6ccccc56)c5cc(-c6ccc7ccccc7c6)ccc45)cc3)ccc2c1
InChIInChI=1S/C60H38/c1-4-14-45-34-48(27-22-39(45)10-1)42-20-25-44(26-21-42)59-55-32-30-52(50-29-24-41-12-3-6-16-47(41)36-50)38-58(55)60(54-19-9-17-43-13-7-8-18-53(43)54)56-33-31-51(37-57(56)59)49-28-23-40-11-2-5-15-46(40)35-49/h1-38H
InChIKeyGYELUTQGYWFWBE-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

10-naphthalen-1-yl-2-naphthalen-2-yl-9-(4-naphthalen-2-ylphenyl)anthracene
CID 58193908
10-naphthalen-1-yl-9-(4-naphthalen-2-ylphenyl)-2-phenylanthracene
CID 58322799
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-naphthalen-2-yl-2-(4-phenylphenyl)anthracene
CID 59766348
9-naphthalen-1-yl-10-naphthalen-2-yl-2,6-diphenylanthracene
CID 123330330
methane;9-naphthalen-1-yl-10-(4-naphthalen-2-ylphenyl)anthracene
CID 142384743
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
9-naphthalen-1-yl-10-(4-naphthalen-2-ylphenyl)-2-(2-phenylphenyl)anthracene
CID 140856123
9-(3,5-dinaphthalen-1-ylphenyl)-10-naphthalen-1-yl-2-naphthalen-2-ylanthracene
CID 58323614
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
2,9-dinaphthalen-2-yl-10-phenanthren-9-ylanthracene;9-naphthalen-1-yl-2,10-dinaphthalen-2-ylanthracene;10-naphthalen-1-yl-2,9-dinaphthalen-2-ylanthracene;10-naphthalen-1-yl-2-naphthalen-2-yl-9-(4-naphthalen-1-ylphenyl)anthracene;10-naphthalen-1-yl-2-naphthalen-2-yl-9-(4-naphthalen-2-ylphenyl)anthracene;2,9,10-trinaphthalen-2-ylanthracene
CID 158406092

Frequently Asked Questions

What is the IUPAC name of 9-naphthalen-1-yl-2,6-dinaphthalen-2-yl-10-(4-naphthalen-2-ylphenyl)anthracene?
The IUPAC name of 9-naphthalen-1-yl-2,6-dinaphthalen-2-yl-10-(4-naphthalen-2-ylphenyl)anthracene (CID 159201170) is 9-naphthalen-1-yl-2,6-dinaphthalen-2-yl-10-(4-naphthalen-2-ylphenyl)anthracene.
What is the SMILES notation for 9-naphthalen-1-yl-2,6-dinaphthalen-2-yl-10-(4-naphthalen-2-ylphenyl)anthracene?
The canonical SMILES for 9-naphthalen-1-yl-2,6-dinaphthalen-2-yl-10-(4-naphthalen-2-ylphenyl)anthracene is c1ccc2cc(-c3ccc(-c4c5cc(-c6ccc7ccccc7c6)ccc5c(-c5cccc6ccccc56)c5cc(-c6ccc7ccccc7c6)ccc45)cc3)ccc2c1.
What is the InChIKey of 9-naphthalen-1-yl-2,6-dinaphthalen-2-yl-10-(4-naphthalen-2-ylphenyl)anthracene?
The InChIKey is GYELUTQGYWFWBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H38/c1-4-14-45-34-48(27-22-39(45)10-1)42-20-25-44(26-21-42)59-55-32-30-52(50-29-24-41-12-3-6-16-47(41)36-50)38-58(55)60(54-19-9-17-43-13-7-8-18-53(43)54)56-33-31-51(37-57(56)59)49-28-23-40-11-2-5-15-46(40)35-49/h1-38H.
What are the key properties of 9-naphthalen-1-yl-2,6-dinaphthalen-2-yl-10-(4-naphthalen-2-ylphenyl)anthracene?
9-naphthalen-1-yl-2,6-dinaphthalen-2-yl-10-(4-naphthalen-2-ylphenyl)anthracene 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-naphthalen-1-yl-2,6-dinaphthalen-2-yl-10-(4-naphthalen-2-ylphenyl)anthracene is sourced from PubChem (CID 159201170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).