10-naphthalen-1-yl-1-(3-naphthalen-1-ylphenyl)-9-(2-phenylphenyl)anthracene

C52H34 — CID 58323303

IUPAC10-naphthalen-1-yl-1-(3-naphthalen-1-ylphenyl)-9-(2-phenylphenyl)anthracene
SMILESc1ccc(-c2ccccc2-c2c3ccccc3c(-c3cccc4ccccc34)c3cccc(-c4cccc(-c5cccc6ccccc56)c4)c23)cc1
InChIInChI=1S/C52H34/c1-2-16-35(17-3-1)42-26-8-9-27-46(42)52-48-29-11-10-28-47(48)50(45-32-14-21-37-19-5-7-25-41(37)45)49-33-15-31-44(51(49)52)39-23-12-22-38(34-39)43-30-13-20-36-18-4-6-24-40(36)43/h1-34H
InChIKeySMVRQERTHKUHCS-UHFFFAOYSA-N
MW658.84 g/mol
LogP14.63
Rot. Bonds5

About 10-naphthalen-1-yl-1-(3-naphthalen-1-ylphenyl)-9-(2-phenylphenyl)anthracene

10-naphthalen-1-yl-1-(3-naphthalen-1-ylphenyl)-9-(2-phenylphenyl)anthracene (PubChem CID 58323303) has the molecular formula C52H34 and a molecular weight of 658.84 g/mol. Its IUPAC name is 10-naphthalen-1-yl-1-(3-naphthalen-1-ylphenyl)-9-(2-phenylphenyl)anthracene.

Molecular Properties

Compound Name10-naphthalen-1-yl-1-(3-naphthalen-1-ylphenyl)-9-(2-phenylphenyl)anthracene
PubChem CID58323303
Molecular FormulaC52H34
Molecular Weight658.84 g/mol
Exact Mass658.27
IUPAC Name10-naphthalen-1-yl-1-(3-naphthalen-1-ylphenyl)-9-(2-phenylphenyl)anthracene
SMILESc1ccc(-c2ccccc2-c2c3ccccc3c(-c3cccc4ccccc34)c3cccc(-c4cccc(-c5cccc6ccccc56)c4)c23)cc1
InChIInChI=1S/C52H34/c1-2-16-35(17-3-1)42-26-8-9-27-46(42)52-48-29-11-10-28-47(48)50(45-32-14-21-37-19-5-7-25-41(37)45)49-33-15-31-44(51(49)52)39-23-12-22-38(34-39)43-30-13-20-36-18-4-6-24-40(36)43/h1-34H
InChIKeySMVRQERTHKUHCS-UHFFFAOYSA-N
XLogP14.63
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500658.84
LogP ≤ 514.63
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-1,9-bis(4-naphthalen-1-ylphenyl)anthracene;10-naphthalen-1-yl-9-(3-naphthalen-1-ylphenyl)-1-(4-naphthalen-1-ylphenyl)anthracene;10-naphthalen-1-yl-1-(4-naphthalen-1-ylphenyl)-9-(2-phenylphenyl)anthracene
CID 159756226
9-naphthalen-1-yl-10-[4-(3-naphthalen-1-ylphenyl)naphthalen-1-yl]anthracene
CID 153466528
2-naphthalen-1-yl-9,10-bis(2-phenylphenyl)anthracene
CID 157347994
1,10-dinaphthalen-1-yl-9-(3-naphthalen-1-ylphenyl)anthracene
CID 58322712
10-naphthalen-1-yl-9-(3-naphthalen-1-ylphenyl)-2-(2-phenylphenyl)anthracene
CID 58323579
10-naphthalen-1-yl-1,9-bis(4-phenylphenyl)anthracene
CID 58322889
9,10-dinaphthalen-1-yl-2-(2-phenylphenyl)anthracene
CID 58875728
9-(2-naphthalen-1-ylphenyl)-10-[2-(4-phenylphenyl)phenyl]anthracene;9-(3-naphthalen-1-ylphenyl)-10-[2-(4-phenylphenyl)phenyl]anthracene;9-(4-naphthalen-1-ylphenyl)-10-[2-(4-phenylphenyl)phenyl]anthracene;9-(4-phenylphenyl)-10-[2-(4-phenylphenyl)phenyl]anthracene
CID 158722566
10-naphthalen-1-yl-9-(2-naphthalen-1-ylphenyl)-1-(4-phenylphenyl)anthracene;10-naphthalen-1-yl-9-(3-naphthalen-1-ylphenyl)-1-(4-phenylphenyl)anthracene;10-naphthalen-1-yl-9-(3-naphthalen-2-ylphenyl)-1-(4-phenylphenyl)anthracene;10-naphthalen-1-yl-9-(4-naphthalen-2-ylphenyl)-1-(4-phenylphenyl)anthracene
CID 161483242
7-naphthalen-1-yl-12-(4-phenylnaphthalen-1-yl)benzo[a]anthracene
CID 154011898
10-naphthalen-1-yl-1-naphthalen-2-yl-9-(4-naphthalen-1-ylphenyl)anthracene
CID 58323203
10-naphthalen-1-yl-9-(3-naphthalen-2-ylphenyl)-1-(4-phenylphenyl)anthracene
CID 58323114

Frequently Asked Questions

What is the IUPAC name of 10-naphthalen-1-yl-1-(3-naphthalen-1-ylphenyl)-9-(2-phenylphenyl)anthracene?
The IUPAC name of 10-naphthalen-1-yl-1-(3-naphthalen-1-ylphenyl)-9-(2-phenylphenyl)anthracene (CID 58323303) is 10-naphthalen-1-yl-1-(3-naphthalen-1-ylphenyl)-9-(2-phenylphenyl)anthracene.
What is the SMILES notation for 10-naphthalen-1-yl-1-(3-naphthalen-1-ylphenyl)-9-(2-phenylphenyl)anthracene?
The canonical SMILES for 10-naphthalen-1-yl-1-(3-naphthalen-1-ylphenyl)-9-(2-phenylphenyl)anthracene is c1ccc(-c2ccccc2-c2c3ccccc3c(-c3cccc4ccccc34)c3cccc(-c4cccc(-c5cccc6ccccc56)c4)c23)cc1.
What is the InChIKey of 10-naphthalen-1-yl-1-(3-naphthalen-1-ylphenyl)-9-(2-phenylphenyl)anthracene?
The InChIKey is SMVRQERTHKUHCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H34/c1-2-16-35(17-3-1)42-26-8-9-27-46(42)52-48-29-11-10-28-47(48)50(45-32-14-21-37-19-5-7-25-41(37)45)49-33-15-31-44(51(49)52)39-23-12-22-38(34-39)43-30-13-20-36-18-4-6-24-40(36)43/h1-34H.
What are the key properties of 10-naphthalen-1-yl-1-(3-naphthalen-1-ylphenyl)-9-(2-phenylphenyl)anthracene?
10-naphthalen-1-yl-1-(3-naphthalen-1-ylphenyl)-9-(2-phenylphenyl)anthracene has a molecular weight of 658.84 g/mol, XLogP of 14.63, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 10-naphthalen-1-yl-1-(3-naphthalen-1-ylphenyl)-9-(2-phenylphenyl)anthracene is sourced from PubChem (CID 58323303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).