9-[3-(1-naphthalen-2-ylnaphthalen-2-yl)phenyl]-10-[4-(2-naphthalen-2-ylnaphthalen-1-yl)phenyl]anthracene

C66H42 — CID 59413057

IUPAC9-[3-(1-naphthalen-2-ylnaphthalen-2-yl)phenyl]-10-[4-(2-naphthalen-2-ylnaphthalen-1-yl)phenyl]anthracene
SMILESc1cc(-c2ccc3ccccc3c2-c2ccc3ccccc3c2)cc(-c2c3ccccc3c(-c3ccc(-c4c(-c5ccc6ccccc6c5)ccc5ccccc45)cc3)c3ccccc23)c1
InChIInChI=1S/C66H42/c1-3-18-49-40-52(34-28-43(49)14-1)58-39-37-45-16-5-7-22-55(45)63(58)47-30-32-48(33-31-47)64-59-24-9-11-26-61(59)66(62-27-12-10-25-60(62)64)53-21-13-20-51(42-53)57-38-36-46-17-6-8-23-56(46)65(57)54-35-29-44-15-2-4-19-50(44)41-54/h1-42H
InChIKeyIPQMOXPVMHPICR-UHFFFAOYSA-N
MW835.06 g/mol
LogP18.61
Rot. Bonds6

About 9-[3-(1-naphthalen-2-ylnaphthalen-2-yl)phenyl]-10-[4-(2-naphthalen-2-ylnaphthalen-1-yl)phenyl]anthracene

9-[3-(1-naphthalen-2-ylnaphthalen-2-yl)phenyl]-10-[4-(2-naphthalen-2-ylnaphthalen-1-yl)phenyl]anthracene (PubChem CID 59413057) has the molecular formula C66H42 and a molecular weight of 835.06 g/mol. Its IUPAC name is 9-[3-(1-naphthalen-2-ylnaphthalen-2-yl)phenyl]-10-[4-(2-naphthalen-2-ylnaphthalen-1-yl)phenyl]anthracene.

Molecular Properties

Compound Name9-[3-(1-naphthalen-2-ylnaphthalen-2-yl)phenyl]-10-[4-(2-naphthalen-2-ylnaphthalen-1-yl)phenyl]anthracene
PubChem CID59413057
Molecular FormulaC66H42
Molecular Weight835.06 g/mol
Exact Mass834.33
IUPAC Name9-[3-(1-naphthalen-2-ylnaphthalen-2-yl)phenyl]-10-[4-(2-naphthalen-2-ylnaphthalen-1-yl)phenyl]anthracene
SMILESc1cc(-c2ccc3ccccc3c2-c2ccc3ccccc3c2)cc(-c2c3ccccc3c(-c3ccc(-c4c(-c5ccc6ccccc6c5)ccc5ccccc45)cc3)c3ccccc23)c1
InChIInChI=1S/C66H42/c1-3-18-49-40-52(34-28-43(49)14-1)58-39-37-45-16-5-7-22-55(45)63(58)47-30-32-48(33-31-47)64-59-24-9-11-26-61(59)66(62-27-12-10-25-60(62)64)53-21-13-20-51(42-53)57-38-36-46-17-6-8-23-56(46)65(57)54-35-29-44-15-2-4-19-50(44)41-54/h1-42H
InChIKeyIPQMOXPVMHPICR-UHFFFAOYSA-N
XLogP18.61
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms66
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500835.06
LogP ≤ 518.61
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-[3-(1-naphthalen-2-ylnaphthalen-2-yl)phenyl]-10-[4-(2-phenylnaphthalen-1-yl)phenyl]anthracene
CID 59413105
9,10-bis[3-(1-phenylnaphthalen-2-yl)phenyl]anthracene
CID 59413167
9-[7-naphthalen-2-yl-8-[3-(4-phenylphenyl)phenyl]naphthalen-2-yl]-10-phenylanthracene
CID 144837172
9-naphthalen-1-yl-10-[3-[1-(10-naphthalen-2-ylanthracen-9-yl)naphthalen-2-yl]phenyl]anthracene
CID 168786920
9-(3-naphthalen-1-ylphenyl)-10-[4-(1-phenylnaphthalen-2-yl)phenyl]anthracene
CID 59413134
9-(3-phenanthren-9-ylphenyl)-10-[3-(1-phenylnaphthalen-2-yl)phenyl]anthracene
CID 59413034
9-naphthalen-2-yl-10-[3-(4-naphthalen-2-ylnaphthalen-1-yl)phenyl]anthracene;thiohydroxylamine
CID 143300939
9,10-bis(3-naphthalen-1-ylphenyl)anthracene;9,10-bis(3-naphthalen-2-ylphenyl)anthracene;9-(3-naphthalen-1-ylphenyl)-10-(4-phenylphenyl)anthracene;9-(3-naphthalen-2-ylphenyl)-10-(4-phenylphenyl)anthracene
CID 159387221
2-naphthalen-2-yl-1-(2-naphthalen-2-ylnaphthalen-1-yl)naphthalene
CID 10744186
9-naphthalen-2-yl-10-[3-(8-naphthalen-2-ylnaphthalen-2-yl)phenyl]anthracene
CID 123993822
9-[3-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]-10-(4-naphthalen-1-ylphenyl)anthracene
CID 58856463
9-[4-(2,6-diphenylphenyl)phenyl]-10-naphthalen-2-ylanthracene
CID 58965768

Frequently Asked Questions

What is the IUPAC name of 9-[3-(1-naphthalen-2-ylnaphthalen-2-yl)phenyl]-10-[4-(2-naphthalen-2-ylnaphthalen-1-yl)phenyl]anthracene?
The IUPAC name of 9-[3-(1-naphthalen-2-ylnaphthalen-2-yl)phenyl]-10-[4-(2-naphthalen-2-ylnaphthalen-1-yl)phenyl]anthracene (CID 59413057) is 9-[3-(1-naphthalen-2-ylnaphthalen-2-yl)phenyl]-10-[4-(2-naphthalen-2-ylnaphthalen-1-yl)phenyl]anthracene.
What is the SMILES notation for 9-[3-(1-naphthalen-2-ylnaphthalen-2-yl)phenyl]-10-[4-(2-naphthalen-2-ylnaphthalen-1-yl)phenyl]anthracene?
The canonical SMILES for 9-[3-(1-naphthalen-2-ylnaphthalen-2-yl)phenyl]-10-[4-(2-naphthalen-2-ylnaphthalen-1-yl)phenyl]anthracene is c1cc(-c2ccc3ccccc3c2-c2ccc3ccccc3c2)cc(-c2c3ccccc3c(-c3ccc(-c4c(-c5ccc6ccccc6c5)ccc5ccccc45)cc3)c3ccccc23)c1.
What is the InChIKey of 9-[3-(1-naphthalen-2-ylnaphthalen-2-yl)phenyl]-10-[4-(2-naphthalen-2-ylnaphthalen-1-yl)phenyl]anthracene?
The InChIKey is IPQMOXPVMHPICR-UHFFFAOYSA-N. The full InChI is InChI=1S/C66H42/c1-3-18-49-40-52(34-28-43(49)14-1)58-39-37-45-16-5-7-22-55(45)63(58)47-30-32-48(33-31-47)64-59-24-9-11-26-61(59)66(62-27-12-10-25-60(62)64)53-21-13-20-51(42-53)57-38-36-46-17-6-8-23-56(46)65(57)54-35-29-44-15-2-4-19-50(44)41-54/h1-42H.
What are the key properties of 9-[3-(1-naphthalen-2-ylnaphthalen-2-yl)phenyl]-10-[4-(2-naphthalen-2-ylnaphthalen-1-yl)phenyl]anthracene?
9-[3-(1-naphthalen-2-ylnaphthalen-2-yl)phenyl]-10-[4-(2-naphthalen-2-ylnaphthalen-1-yl)phenyl]anthracene has a molecular weight of 835.06 g/mol, XLogP of 18.61, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[3-(1-naphthalen-2-ylnaphthalen-2-yl)phenyl]-10-[4-(2-naphthalen-2-ylnaphthalen-1-yl)phenyl]anthracene is sourced from PubChem (CID 59413057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).