9-(3-phenylphenyl)-10-[6-[10-(3-phenylphenyl)anthracen-9-yl]naphthalen-2-yl]anthracene

C62H40 — CID 153438367

IUPAC9-(3-phenylphenyl)-10-[6-[10-(3-phenylphenyl)anthracen-9-yl]naphthalen-2-yl]anthracene
SMILESc1ccc(-c2cccc(-c3c4ccccc4c(-c4ccc5cc(-c6c7ccccc7c(-c7cccc(-c8ccccc8)c7)c7ccccc67)ccc5c4)c4ccccc34)c2)cc1
InChIInChI=1S/C62H40/c1-3-17-41(18-4-1)43-21-15-23-47(37-43)59-51-25-7-11-29-55(51)61(56-30-12-8-26-52(56)59)49-35-33-46-40-50(36-34-45(46)39-49)62-57-31-13-9-27-53(57)60(54-28-10-14-32-58(54)62)48-24-16-22-44(38-48)42-19-5-2-6-20-42/h1-40H
InChIKeyYBEDXBAKNJWAEI-UHFFFAOYSA-N
MW785.00 g/mol
LogP17.45
Rot. Bonds6

About 9-(3-phenylphenyl)-10-[6-[10-(3-phenylphenyl)anthracen-9-yl]naphthalen-2-yl]anthracene

9-(3-phenylphenyl)-10-[6-[10-(3-phenylphenyl)anthracen-9-yl]naphthalen-2-yl]anthracene (PubChem CID 153438367) has the molecular formula C62H40 and a molecular weight of 785.00 g/mol. Its IUPAC name is 9-(3-phenylphenyl)-10-[6-[10-(3-phenylphenyl)anthracen-9-yl]naphthalen-2-yl]anthracene.

Molecular Properties

Compound Name9-(3-phenylphenyl)-10-[6-[10-(3-phenylphenyl)anthracen-9-yl]naphthalen-2-yl]anthracene
PubChem CID153438367
Molecular FormulaC62H40
Molecular Weight785.00 g/mol
Exact Mass784.31
IUPAC Name9-(3-phenylphenyl)-10-[6-[10-(3-phenylphenyl)anthracen-9-yl]naphthalen-2-yl]anthracene
SMILESc1ccc(-c2cccc(-c3c4ccccc4c(-c4ccc5cc(-c6c7ccccc7c(-c7cccc(-c8ccccc8)c7)c7ccccc67)ccc5c4)c4ccccc34)c2)cc1
InChIInChI=1S/C62H40/c1-3-17-41(18-4-1)43-21-15-23-47(37-43)59-51-25-7-11-29-55(51)61(56-30-12-8-26-52(56)59)49-35-33-46-40-50(36-34-45(46)39-49)62-57-31-13-9-27-53(57)60(54-28-10-14-32-58(54)62)48-24-16-22-44(38-48)42-19-5-2-6-20-42/h1-40H
InChIKeyYBEDXBAKNJWAEI-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-(4-naphthalen-2-ylphenyl)-10-(3-phenylphenyl)anthracene
CID 58151267
9-(3-naphthalen-2-ylphenyl)-10-[4-(4-phenylphenyl)phenyl]anthracene
CID 144568868
9-[3,5-bis[4-(3-phenylphenyl)phenyl]phenyl]-10-naphthalen-2-ylanthracene
CID 58965758
9-(4-naphthalen-2-ylphenyl)-10-[3-(3-phenylphenyl)phenyl]anthracene
CID 144568832
9-(3-anthracen-2-ylphenyl)-10-(4-phenylphenyl)anthracene
CID 164706350
9-[3-(3,5-diphenylphenyl)phenyl]-10-[4-(3-naphthalen-2-ylphenyl)phenyl]anthracene
CID 59798540
9-(3,5-diphenylphenyl)-10-phenylanthracene;9-[3-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]-10-phenylanthracene;9-phenyl-10-[4-(4-phenylphenyl)phenyl]anthracene
CID 161401825
9,10-dinaphthalen-2-ylanthracene;9-naphthalen-2-yl-10-(6-phenylnaphthalen-2-yl)anthracene
CID 143848431
9-phenyl-10-[4-[6-[4-(10-phenylanthracen-9-yl)phenyl]naphthalen-2-yl]phenyl]anthracene
CID 59024577
9-phenyl-10-[4-[4-[6-[4-(10-phenylanthracen-9-yl)phenyl]naphthalen-2-yl]phenyl]phenyl]anthracene
CID 59024571
9-(3-phenylphenyl)-10-[3-(4-phenylphenyl)phenyl]anthracene
CID 23579750
9-[6-(3-naphthalen-2-yl-5-phenylphenyl)naphthalen-2-yl]-10-phenylanthracene
CID 58590127

Frequently Asked Questions

What is the IUPAC name of 9-(3-phenylphenyl)-10-[6-[10-(3-phenylphenyl)anthracen-9-yl]naphthalen-2-yl]anthracene?
The IUPAC name of 9-(3-phenylphenyl)-10-[6-[10-(3-phenylphenyl)anthracen-9-yl]naphthalen-2-yl]anthracene (CID 153438367) is 9-(3-phenylphenyl)-10-[6-[10-(3-phenylphenyl)anthracen-9-yl]naphthalen-2-yl]anthracene.
What is the SMILES notation for 9-(3-phenylphenyl)-10-[6-[10-(3-phenylphenyl)anthracen-9-yl]naphthalen-2-yl]anthracene?
The canonical SMILES for 9-(3-phenylphenyl)-10-[6-[10-(3-phenylphenyl)anthracen-9-yl]naphthalen-2-yl]anthracene is c1ccc(-c2cccc(-c3c4ccccc4c(-c4ccc5cc(-c6c7ccccc7c(-c7cccc(-c8ccccc8)c7)c7ccccc67)ccc5c4)c4ccccc34)c2)cc1.
What is the InChIKey of 9-(3-phenylphenyl)-10-[6-[10-(3-phenylphenyl)anthracen-9-yl]naphthalen-2-yl]anthracene?
The InChIKey is YBEDXBAKNJWAEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C62H40/c1-3-17-41(18-4-1)43-21-15-23-47(37-43)59-51-25-7-11-29-55(51)61(56-30-12-8-26-52(56)59)49-35-33-46-40-50(36-34-45(46)39-49)62-57-31-13-9-27-53(57)60(54-28-10-14-32-58(54)62)48-24-16-22-44(38-48)42-19-5-2-6-20-42/h1-40H.
What are the key properties of 9-(3-phenylphenyl)-10-[6-[10-(3-phenylphenyl)anthracen-9-yl]naphthalen-2-yl]anthracene?
9-(3-phenylphenyl)-10-[6-[10-(3-phenylphenyl)anthracen-9-yl]naphthalen-2-yl]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-phenylphenyl)-10-[6-[10-(3-phenylphenyl)anthracen-9-yl]naphthalen-2-yl]anthracene is sourced from PubChem (CID 153438367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).