9-[4-[2-(4-naphthalen-1-ylnaphthalen-1-yl)ethenyl]naphthalen-1-yl]-10-phenanthren-9-ylanthracene

C60H38 — CID 123404005

IUPAC9-[4-[2-(4-naphthalen-1-ylnaphthalen-1-yl)ethenyl]naphthalen-1-yl]-10-phenanthren-9-ylanthracene
SMILESC(=Cc1ccc(-c2c3ccccc3c(-c3cc4ccccc4c4ccccc34)c3ccccc23)c2ccccc12)c1ccc(-c2cccc3ccccc23)c2ccccc12
InChIInChI=1S/C60H38/c1-3-19-43-39(16-1)18-15-31-49(43)52-36-34-40(44-20-5-7-23-47(44)52)32-33-41-35-37-57(50-25-8-6-21-45(41)50)59-53-27-11-13-29-55(53)60(56-30-14-12-28-54(56)59)58-38-42-17-2-4-22-46(42)48-24-9-10-26-51(48)58/h1-38H
InChIKeyCCZCADKULYFVHQ-UHFFFAOYSA-N
MW758.96 g/mol
LogP16.93
Rot. Bonds5

About 9-[4-[2-(4-naphthalen-1-ylnaphthalen-1-yl)ethenyl]naphthalen-1-yl]-10-phenanthren-9-ylanthracene

9-[4-[2-(4-naphthalen-1-ylnaphthalen-1-yl)ethenyl]naphthalen-1-yl]-10-phenanthren-9-ylanthracene (PubChem CID 123404005) has the molecular formula C60H38 and a molecular weight of 758.96 g/mol. Its IUPAC name is 9-[4-[2-(4-naphthalen-1-ylnaphthalen-1-yl)ethenyl]naphthalen-1-yl]-10-phenanthren-9-ylanthracene.

Molecular Properties

Compound Name9-[4-[2-(4-naphthalen-1-ylnaphthalen-1-yl)ethenyl]naphthalen-1-yl]-10-phenanthren-9-ylanthracene
PubChem CID123404005
Molecular FormulaC60H38
Molecular Weight758.96 g/mol
Exact Mass758.30
IUPAC Name9-[4-[2-(4-naphthalen-1-ylnaphthalen-1-yl)ethenyl]naphthalen-1-yl]-10-phenanthren-9-ylanthracene
SMILESC(=Cc1ccc(-c2c3ccccc3c(-c3cc4ccccc4c4ccccc34)c3ccccc23)c2ccccc12)c1ccc(-c2cccc3ccccc23)c2ccccc12
InChIInChI=1S/C60H38/c1-3-19-43-39(16-1)18-15-31-49(43)52-36-34-40(44-20-5-7-23-47(44)52)32-33-41-35-37-57(50-25-8-6-21-45(41)50)59-53-27-11-13-29-55(53)60(56-30-14-12-28-54(56)59)58-38-42-17-2-4-22-46(42)48-24-9-10-26-51(48)58/h1-38H
InChIKeyCCZCADKULYFVHQ-UHFFFAOYSA-N
XLogP16.93
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 ≤ 516.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}, {'alert_name': 'stilbene', 'substructure': 'N/A'}

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Related Compounds

9-anthracen-9-yl-10-[4-[(E)-2-(4-naphthalen-1-ylnaphthalen-1-yl)ethenyl]naphthalen-1-yl]anthracene
CID 140834610
9-naphthalen-1-yl-10-(10-phenanthren-9-ylanthracen-9-yl)anthracene
CID 140825341
9-phenanthren-9-yl-10-[4-(10-phenanthren-9-ylanthracen-9-yl)naphthalen-1-yl]anthracene
CID 59858844
9-(3,5-diphenylphenyl)-10-[4-[(E)-2-(4-naphthalen-1-ylnaphthalen-1-yl)ethenyl]naphthalen-1-yl]anthracene;9-[4-(3,5-diphenylphenyl)phenyl]-10-[4-[(E)-2-(4-naphthalen-1-ylnaphthalen-1-yl)ethenyl]naphthalen-1-yl]anthracene;9-[4-[(E)-2-(4-naphthalen-1-ylnaphthalen-1-yl)ethenyl]naphthalen-1-yl]-10-phenylanthracene;9-[4-[(E)-2-(4-naphthalen-1-ylnaphthalen-1-yl)ethenyl]naphthalen-1-yl]-10-(4-phenylphenyl)anthracene;9-naphthalen-1-yl-10-[4-[(E)-2-(4-naphthalen-1-ylnaphthalen-1-yl)ethenyl]naphthalen-1-yl]anthracene;9-naphthalen-2-yl-10-[4-[(E)-2-(4-naphthalen-1-ylnaphthalen-1-yl)ethenyl]naphthalen-1-yl]anthracene
CID 159660154
9-naphthalen-1-yl-10-[4-[4-(10-naphthalen-1-ylanthracen-9-yl)naphthalen-1-yl]naphthalen-1-yl]anthracene
CID 59861499
9-(9,9-dimethylfluoren-2-yl)-10-[4-[(E)-2-(4-naphthalen-1-ylnaphthalen-1-yl)ethenyl]naphthalen-1-yl]anthracene
CID 140834630
4-[10-[4-[(E)-2-(4-naphthalen-1-ylnaphthalen-1-yl)ethenyl]naphthalen-1-yl]anthracen-9-yl]-N,N-diphenylaniline
CID 118027309
9-naphthalen-1-ylphenanthrene
CID 20606742
9-naphthalen-2-yl-10-[4-[2-(4-naphthalen-1-ylnaphthalen-1-yl)ethenyl]phenyl]anthracene
CID 123964617
9-naphthalen-1-yl-10-[4-[2-(4-naphthalen-2-ylphenyl)ethenyl]naphthalen-1-yl]anthracene
CID 123434532
1,10-dinaphthalen-1-ylanthracene
CID 58645117
3-methyl-N-(3-methylphenyl)-N-[4-[10-[4-[2-(4-naphthalen-1-ylnaphthalen-1-yl)ethenyl]naphthalen-1-yl]anthracen-9-yl]phenyl]aniline
CID 123173987

Frequently Asked Questions

What is the IUPAC name of 9-[4-[2-(4-naphthalen-1-ylnaphthalen-1-yl)ethenyl]naphthalen-1-yl]-10-phenanthren-9-ylanthracene?
The IUPAC name of 9-[4-[2-(4-naphthalen-1-ylnaphthalen-1-yl)ethenyl]naphthalen-1-yl]-10-phenanthren-9-ylanthracene (CID 123404005) is 9-[4-[2-(4-naphthalen-1-ylnaphthalen-1-yl)ethenyl]naphthalen-1-yl]-10-phenanthren-9-ylanthracene.
What is the SMILES notation for 9-[4-[2-(4-naphthalen-1-ylnaphthalen-1-yl)ethenyl]naphthalen-1-yl]-10-phenanthren-9-ylanthracene?
The canonical SMILES for 9-[4-[2-(4-naphthalen-1-ylnaphthalen-1-yl)ethenyl]naphthalen-1-yl]-10-phenanthren-9-ylanthracene is C(=Cc1ccc(-c2c3ccccc3c(-c3cc4ccccc4c4ccccc34)c3ccccc23)c2ccccc12)c1ccc(-c2cccc3ccccc23)c2ccccc12.
What is the InChIKey of 9-[4-[2-(4-naphthalen-1-ylnaphthalen-1-yl)ethenyl]naphthalen-1-yl]-10-phenanthren-9-ylanthracene?
The InChIKey is CCZCADKULYFVHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H38/c1-3-19-43-39(16-1)18-15-31-49(43)52-36-34-40(44-20-5-7-23-47(44)52)32-33-41-35-37-57(50-25-8-6-21-45(41)50)59-53-27-11-13-29-55(53)60(56-30-14-12-28-54(56)59)58-38-42-17-2-4-22-46(42)48-24-9-10-26-51(48)58/h1-38H.
What are the key properties of 9-[4-[2-(4-naphthalen-1-ylnaphthalen-1-yl)ethenyl]naphthalen-1-yl]-10-phenanthren-9-ylanthracene?
9-[4-[2-(4-naphthalen-1-ylnaphthalen-1-yl)ethenyl]naphthalen-1-yl]-10-phenanthren-9-ylanthracene has a molecular weight of 758.96 g/mol, XLogP of 16.93, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[4-[2-(4-naphthalen-1-ylnaphthalen-1-yl)ethenyl]naphthalen-1-yl]-10-phenanthren-9-ylanthracene is sourced from PubChem (CID 123404005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).