9-[4-[6-[(E)-2-[6-(4-anthracen-9-ylphenyl)naphthalen-2-yl]ethenyl]naphthalen-2-yl]phenyl]anthracene

C62H40 — CID 59801167

IUPAC9-[4-[6-[(E)-2-[6-(4-anthracen-9-ylphenyl)naphthalen-2-yl]ethenyl]naphthalen-2-yl]phenyl]anthracene
SMILESC(=C/c1ccc2cc(-c3ccc(-c4c5ccccc5cc5ccccc45)cc3)ccc2c1)\c1ccc2cc(-c3ccc(-c4c5ccccc5cc5ccccc45)cc3)ccc2c1
InChIInChI=1S/C62H40/c1-5-13-57-53(9-1)39-54-10-2-6-14-58(54)61(57)45-27-23-43(24-28-45)49-33-31-47-35-41(19-21-51(47)37-49)17-18-42-20-22-52-38-50(34-32-48(52)36-42)44-25-29-46(30-26-44)62-59-15-7-3-11-55(59)40-56-12-4-8-16-60(56)62/h1-40H/b18-17+
InChIKeyWVZGPUNVCMGRET-ISLYRVAYSA-N
MW785.00 g/mol
LogP17.44
Rot. Bonds6

About 9-[4-[6-[(E)-2-[6-(4-anthracen-9-ylphenyl)naphthalen-2-yl]ethenyl]naphthalen-2-yl]phenyl]anthracene

9-[4-[6-[(E)-2-[6-(4-anthracen-9-ylphenyl)naphthalen-2-yl]ethenyl]naphthalen-2-yl]phenyl]anthracene (PubChem CID 59801167) has the molecular formula C62H40 and a molecular weight of 785.00 g/mol. Its IUPAC name is 9-[4-[6-[(E)-2-[6-(4-anthracen-9-ylphenyl)naphthalen-2-yl]ethenyl]naphthalen-2-yl]phenyl]anthracene.

Molecular Properties

Compound Name9-[4-[6-[(E)-2-[6-(4-anthracen-9-ylphenyl)naphthalen-2-yl]ethenyl]naphthalen-2-yl]phenyl]anthracene
PubChem CID59801167
Molecular FormulaC62H40
Molecular Weight785.00 g/mol
Exact Mass784.31
IUPAC Name9-[4-[6-[(E)-2-[6-(4-anthracen-9-ylphenyl)naphthalen-2-yl]ethenyl]naphthalen-2-yl]phenyl]anthracene
SMILESC(=C/c1ccc2cc(-c3ccc(-c4c5ccccc5cc5ccccc45)cc3)ccc2c1)\c1ccc2cc(-c3ccc(-c4c5ccccc5cc5ccccc45)cc3)ccc2c1
InChIInChI=1S/C62H40/c1-5-13-57-53(9-1)39-54-10-2-6-14-58(54)61(57)45-27-23-43(24-28-45)49-33-31-47-35-41(19-21-51(47)37-49)17-18-42-20-22-52-38-50(34-32-48(52)36-42)44-25-29-46(30-26-44)62-59-15-7-3-11-55(59)40-56-12-4-8-16-60(56)62/h1-40H/b18-17+
InChIKeyWVZGPUNVCMGRET-ISLYRVAYSA-N
XLogP17.44
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 ≤ 517.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

9-naphthalen-2-yl-10-[4-[2-(4-naphthalen-2-ylphenyl)ethenyl]phenyl]anthracene
CID 123412667
9-(3,5-diphenylphenyl)-10-[4-[2-(4-naphthalen-2-ylphenyl)ethenyl]phenyl]anthracene
CID 123864327
9-(3,5-diphenylphenyl)-10-[4-[(E)-2-(4-naphthalen-2-ylphenyl)ethenyl]phenyl]anthracene
CID 140834635
2-(4-phenylphenyl)-6-[2-[6-(4-phenylphenyl)naphthalen-2-yl]ethenyl]naphthalene
CID 72565666
9-naphthalen-2-yl-10-[3-[(E)-2-naphthalen-2-ylethenyl]phenyl]anthracene
CID 58954157
9-(7-naphthalen-2-ylnaphthalen-2-yl)anthracene
CID 86701353
9-naphthalen-2-yl-10-(4-naphthalen-2-ylphenyl)anthracene
CID 21022512
2-[(Z)-2-anthracen-2-ylethenyl]anthracene
CID 101144533
9-(4-naphthalen-2-ylphenyl)-10-[7-(4-naphthalen-2-ylphenyl)naphthalen-2-yl]anthracene
CID 123965396
2-(4-anthracen-9-ylphenyl)triphenylene
CID 165006597
2-(2,3,4,5-tetraphenylphenyl)-6-[(E)-2-[6-[4-(2,3,4,5-tetraphenylphenyl)phenyl]naphthalen-2-yl]ethenyl]naphthalene
CID 59801158
9,10-dinaphthalen-2-yl-2-[4-[(E)-2-(10-phenylanthracen-9-yl)ethenyl]phenyl]anthracene
CID 58963379

Frequently Asked Questions

What is the IUPAC name of 9-[4-[6-[(E)-2-[6-(4-anthracen-9-ylphenyl)naphthalen-2-yl]ethenyl]naphthalen-2-yl]phenyl]anthracene?
The IUPAC name of 9-[4-[6-[(E)-2-[6-(4-anthracen-9-ylphenyl)naphthalen-2-yl]ethenyl]naphthalen-2-yl]phenyl]anthracene (CID 59801167) is 9-[4-[6-[(E)-2-[6-(4-anthracen-9-ylphenyl)naphthalen-2-yl]ethenyl]naphthalen-2-yl]phenyl]anthracene.
What is the SMILES notation for 9-[4-[6-[(E)-2-[6-(4-anthracen-9-ylphenyl)naphthalen-2-yl]ethenyl]naphthalen-2-yl]phenyl]anthracene?
The canonical SMILES for 9-[4-[6-[(E)-2-[6-(4-anthracen-9-ylphenyl)naphthalen-2-yl]ethenyl]naphthalen-2-yl]phenyl]anthracene is C(=C/c1ccc2cc(-c3ccc(-c4c5ccccc5cc5ccccc45)cc3)ccc2c1)\c1ccc2cc(-c3ccc(-c4c5ccccc5cc5ccccc45)cc3)ccc2c1.
What is the InChIKey of 9-[4-[6-[(E)-2-[6-(4-anthracen-9-ylphenyl)naphthalen-2-yl]ethenyl]naphthalen-2-yl]phenyl]anthracene?
The InChIKey is WVZGPUNVCMGRET-ISLYRVAYSA-N. The full InChI is InChI=1S/C62H40/c1-5-13-57-53(9-1)39-54-10-2-6-14-58(54)61(57)45-27-23-43(24-28-45)49-33-31-47-35-41(19-21-51(47)37-49)17-18-42-20-22-52-38-50(34-32-48(52)36-42)44-25-29-46(30-26-44)62-59-15-7-3-11-55(59)40-56-12-4-8-16-60(56)62/h1-40H/b18-17+.
What are the key properties of 9-[4-[6-[(E)-2-[6-(4-anthracen-9-ylphenyl)naphthalen-2-yl]ethenyl]naphthalen-2-yl]phenyl]anthracene?
9-[4-[6-[(E)-2-[6-(4-anthracen-9-ylphenyl)naphthalen-2-yl]ethenyl]naphthalen-2-yl]phenyl]anthracene has a molecular weight of 785.00 g/mol, XLogP of 17.44, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[4-[6-[(E)-2-[6-(4-anthracen-9-ylphenyl)naphthalen-2-yl]ethenyl]naphthalen-2-yl]phenyl]anthracene is sourced from PubChem (CID 59801167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).