9-naphthalen-1-yl-2-(9-naphthalen-1-yl-10-phenylanthracen-2-yl)-10-phenylanthracene

C60H38 — CID 59557553

IUPAC9-naphthalen-1-yl-2-(9-naphthalen-1-yl-10-phenylanthracen-2-yl)-10-phenylanthracene
SMILESc1ccc(-c2c3ccccc3c(-c3cccc4ccccc34)c3cc(-c4ccc5c(-c6ccccc6)c6ccccc6c(-c6cccc7ccccc67)c5c4)ccc23)cc1
InChIInChI=1S/C60H38/c1-3-19-41(20-4-1)57-49-27-11-13-29-51(49)59(47-31-15-23-39-17-7-9-25-45(39)47)55-37-43(33-35-53(55)57)44-34-36-54-56(38-44)60(48-32-16-24-40-18-8-10-26-46(40)48)52-30-14-12-28-50(52)58(54)42-21-5-2-6-22-42/h1-38H
InChIKeyIFDGNFAFMGBDOR-UHFFFAOYSA-N
MW758.96 g/mol
LogP16.94
Rot. Bonds5

About 9-naphthalen-1-yl-2-(9-naphthalen-1-yl-10-phenylanthracen-2-yl)-10-phenylanthracene

9-naphthalen-1-yl-2-(9-naphthalen-1-yl-10-phenylanthracen-2-yl)-10-phenylanthracene (PubChem CID 59557553) has the molecular formula C60H38 and a molecular weight of 758.96 g/mol. Its IUPAC name is 9-naphthalen-1-yl-2-(9-naphthalen-1-yl-10-phenylanthracen-2-yl)-10-phenylanthracene.

Molecular Properties

Compound Name9-naphthalen-1-yl-2-(9-naphthalen-1-yl-10-phenylanthracen-2-yl)-10-phenylanthracene
PubChem CID59557553
Molecular FormulaC60H38
Molecular Weight758.96 g/mol
Exact Mass758.30
IUPAC Name9-naphthalen-1-yl-2-(9-naphthalen-1-yl-10-phenylanthracen-2-yl)-10-phenylanthracene
SMILESc1ccc(-c2c3ccccc3c(-c3cccc4ccccc34)c3cc(-c4ccc5c(-c6ccccc6)c6ccccc6c(-c6cccc7ccccc67)c5c4)ccc23)cc1
InChIInChI=1S/C60H38/c1-3-19-41(20-4-1)57-49-27-11-13-29-51(49)59(47-31-15-23-39-17-7-9-25-45(39)47)55-37-43(33-35-53(55)57)44-34-36-54-56(38-44)60(48-32-16-24-40-18-8-10-26-46(40)48)52-30-14-12-28-50(52)58(54)42-21-5-2-6-22-42/h1-38H
InChIKeyIFDGNFAFMGBDOR-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

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
2-(4-methylphenyl)-10-naphthalen-1-yl-9-phenylanthracene
CID 59766405
9-naphthalen-1-yl-2-phenyl-10-(3-phenylphenyl)anthracene
CID 58323615
2,9-dinaphthalen-1-yl-10-phenylanthracene;9-naphthalen-1-yl-10-phenyl-2-(5-phenylnaphthalen-1-yl)anthracene
CID 162243145
10-naphthalen-1-yl-2-phenyl-9-(3-phenylphenyl)anthracene
CID 58323039
10-naphthalen-1-yl-9-(4-naphthalen-2-ylphenyl)-2-phenylanthracene
CID 58322799
10-[4-[10-(2-naphthalen-1-ylphenyl)anthracen-9-yl]phenyl]-2,9-diphenylanthracene
CID 91534318
9-(3,5-dinaphthalen-1-ylphenyl)-10-naphthalen-1-yl-2-phenylanthracene
CID 58323308
9,10-dinaphthalen-1-yl-2-phenylanthracene;ethane
CID 160747045
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
2,10-dinaphthalen-1-yl-9-(3-phenylphenyl)anthracene
CID 58323483

Frequently Asked Questions

What is the IUPAC name of 9-naphthalen-1-yl-2-(9-naphthalen-1-yl-10-phenylanthracen-2-yl)-10-phenylanthracene?
The IUPAC name of 9-naphthalen-1-yl-2-(9-naphthalen-1-yl-10-phenylanthracen-2-yl)-10-phenylanthracene (CID 59557553) is 9-naphthalen-1-yl-2-(9-naphthalen-1-yl-10-phenylanthracen-2-yl)-10-phenylanthracene.
What is the SMILES notation for 9-naphthalen-1-yl-2-(9-naphthalen-1-yl-10-phenylanthracen-2-yl)-10-phenylanthracene?
The canonical SMILES for 9-naphthalen-1-yl-2-(9-naphthalen-1-yl-10-phenylanthracen-2-yl)-10-phenylanthracene is c1ccc(-c2c3ccccc3c(-c3cccc4ccccc34)c3cc(-c4ccc5c(-c6ccccc6)c6ccccc6c(-c6cccc7ccccc67)c5c4)ccc23)cc1.
What is the InChIKey of 9-naphthalen-1-yl-2-(9-naphthalen-1-yl-10-phenylanthracen-2-yl)-10-phenylanthracene?
The InChIKey is IFDGNFAFMGBDOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H38/c1-3-19-41(20-4-1)57-49-27-11-13-29-51(49)59(47-31-15-23-39-17-7-9-25-45(39)47)55-37-43(33-35-53(55)57)44-34-36-54-56(38-44)60(48-32-16-24-40-18-8-10-26-46(40)48)52-30-14-12-28-50(52)58(54)42-21-5-2-6-22-42/h1-38H.
What are the key properties of 9-naphthalen-1-yl-2-(9-naphthalen-1-yl-10-phenylanthracen-2-yl)-10-phenylanthracene?
9-naphthalen-1-yl-2-(9-naphthalen-1-yl-10-phenylanthracen-2-yl)-10-phenylanthracene 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-(9-naphthalen-1-yl-10-phenylanthracen-2-yl)-10-phenylanthracene is sourced from PubChem (CID 59557553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).