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

C62H40 — CID 59413105

IUPAC9-[3-(1-naphthalen-2-ylnaphthalen-2-yl)phenyl]-10-[4-(2-phenylnaphthalen-1-yl)phenyl]anthracene
SMILESc1ccc(-c2ccc3ccccc3c2-c2ccc(-c3c4ccccc4c(-c4cccc(-c5ccc6ccccc6c5-c5ccc6ccccc6c5)c4)c4ccccc34)cc2)cc1
InChIInChI=1S/C62H40/c1-2-16-42(17-3-1)53-37-35-43-18-6-8-23-51(43)59(53)45-30-32-46(33-31-45)60-55-25-10-12-27-57(55)62(58-28-13-11-26-56(58)60)49-22-14-21-48(40-49)54-38-36-44-19-7-9-24-52(44)61(54)50-34-29-41-15-4-5-20-47(41)39-50/h1-40H
InChIKeyNDGQXLQDNMIXFO-UHFFFAOYSA-N
MW785.00 g/mol
LogP17.45
Rot. Bonds6

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

9-[3-(1-naphthalen-2-ylnaphthalen-2-yl)phenyl]-10-[4-(2-phenylnaphthalen-1-yl)phenyl]anthracene (PubChem CID 59413105) has the molecular formula C62H40 and a molecular weight of 785.00 g/mol. Its IUPAC name is 9-[3-(1-naphthalen-2-ylnaphthalen-2-yl)phenyl]-10-[4-(2-phenylnaphthalen-1-yl)phenyl]anthracene.

Molecular Properties

Compound Name9-[3-(1-naphthalen-2-ylnaphthalen-2-yl)phenyl]-10-[4-(2-phenylnaphthalen-1-yl)phenyl]anthracene
PubChem CID59413105
Molecular FormulaC62H40
Molecular Weight785.00 g/mol
Exact Mass784.31
IUPAC Name9-[3-(1-naphthalen-2-ylnaphthalen-2-yl)phenyl]-10-[4-(2-phenylnaphthalen-1-yl)phenyl]anthracene
SMILESc1ccc(-c2ccc3ccccc3c2-c2ccc(-c3c4ccccc4c(-c4cccc(-c5ccc6ccccc6c5-c5ccc6ccccc6c5)c4)c4ccccc34)cc2)cc1
InChIInChI=1S/C62H40/c1-2-16-42(17-3-1)53-37-35-43-18-6-8-23-51(43)59(53)45-30-32-46(33-31-45)60-55-25-10-12-27-57(55)62(58-28-13-11-26-56(58)60)49-22-14-21-48(40-49)54-38-36-44-19-7-9-24-52(44)61(54)50-34-29-41-15-4-5-20-47(41)39-50/h1-40H
InChIKeyNDGQXLQDNMIXFO-UHFFFAOYSA-N
XLogP17.45
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500785.00
LogP ≤ 517.45
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-naphthalen-2-ylnaphthalen-1-yl)phenyl]anthracene
CID 59413057
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-(3-naphthalen-1-ylphenyl)-10-[4-(1-phenylnaphthalen-2-yl)phenyl]anthracene
CID 59413134
9-[4-(2,6-diphenylphenyl)phenyl]-10-naphthalen-2-ylanthracene
CID 58965768
9,10-bis(3-naphthalen-1-ylphenyl)anthracene;9,10-bis(3-naphthalen-2-ylphenyl)anthracene;9,10-bis(4-naphthalen-1-ylphenyl)anthracene;9,10-bis(4-naphthalen-2-ylphenyl)anthracene;9-(3-naphthalen-1-ylphenyl)-10-(4-phenylphenyl)anthracene;9-(3-naphthalen-2-ylphenyl)-10-(4-phenylphenyl)anthracene;9-(4-naphthalen-1-ylphenyl)-10-(3-phenylphenyl)anthracene
CID 161131758
9-[8-(3-naphthalen-1-ylphenyl)-7-phenylnaphthalen-2-yl]-10-phenylanthracene
CID 144837284
9-(3-phenanthren-9-ylphenyl)-10-[3-(1-phenylnaphthalen-2-yl)phenyl]anthracene
CID 59413034
9-naphthalen-2-yl-10-(2-naphthalen-2-yl-6-phenylphenyl)anthracene
CID 171447256
9-naphthalen-1-yl-10-[3-[1-(10-naphthalen-2-ylanthracen-9-yl)naphthalen-2-yl]phenyl]anthracene
CID 168786920
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
9-naphthalen-2-yl-10-phenyl-2-(4-phenylnaphthalen-1-yl)anthracene
CID 162702349

Frequently Asked Questions

What is the IUPAC name of 9-[3-(1-naphthalen-2-ylnaphthalen-2-yl)phenyl]-10-[4-(2-phenylnaphthalen-1-yl)phenyl]anthracene?
The IUPAC name of 9-[3-(1-naphthalen-2-ylnaphthalen-2-yl)phenyl]-10-[4-(2-phenylnaphthalen-1-yl)phenyl]anthracene (CID 59413105) is 9-[3-(1-naphthalen-2-ylnaphthalen-2-yl)phenyl]-10-[4-(2-phenylnaphthalen-1-yl)phenyl]anthracene.
What is the SMILES notation for 9-[3-(1-naphthalen-2-ylnaphthalen-2-yl)phenyl]-10-[4-(2-phenylnaphthalen-1-yl)phenyl]anthracene?
The canonical SMILES for 9-[3-(1-naphthalen-2-ylnaphthalen-2-yl)phenyl]-10-[4-(2-phenylnaphthalen-1-yl)phenyl]anthracene is c1ccc(-c2ccc3ccccc3c2-c2ccc(-c3c4ccccc4c(-c4cccc(-c5ccc6ccccc6c5-c5ccc6ccccc6c5)c4)c4ccccc34)cc2)cc1.
What is the InChIKey of 9-[3-(1-naphthalen-2-ylnaphthalen-2-yl)phenyl]-10-[4-(2-phenylnaphthalen-1-yl)phenyl]anthracene?
The InChIKey is NDGQXLQDNMIXFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C62H40/c1-2-16-42(17-3-1)53-37-35-43-18-6-8-23-51(43)59(53)45-30-32-46(33-31-45)60-55-25-10-12-27-57(55)62(58-28-13-11-26-56(58)60)49-22-14-21-48(40-49)54-38-36-44-19-7-9-24-52(44)61(54)50-34-29-41-15-4-5-20-47(41)39-50/h1-40H.
What are the key properties of 9-[3-(1-naphthalen-2-ylnaphthalen-2-yl)phenyl]-10-[4-(2-phenylnaphthalen-1-yl)phenyl]anthracene?
9-[3-(1-naphthalen-2-ylnaphthalen-2-yl)phenyl]-10-[4-(2-phenylnaphthalen-1-yl)phenyl]anthracene has a molecular weight of 785.00 g/mol, XLogP of 17.45, 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-phenylnaphthalen-1-yl)phenyl]anthracene is sourced from PubChem (CID 59413105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).