1,2-bis[(Z)-2-[4-(2,2-diphenylethenyl)phenyl]ethenyl]-4-(2-methylphenyl)naphthalene

C61H46 — CID 163509385

IUPAC1,2-bis[(Z)-2-[4-(2,2-diphenylethenyl)phenyl]ethenyl]-4-(2-methylphenyl)naphthalene
SMILESCc1ccccc1-c1cc(/C=C\c2ccc(C=C(c3ccccc3)c3ccccc3)cc2)c(/C=C\c2ccc(C=C(c3ccccc3)c3ccccc3)cc2)c2ccccc12
InChIInChI=1S/C61H46/c1-45-18-14-15-27-55(45)61-44-54(40-38-46-30-34-48(35-31-46)42-59(50-19-6-2-7-20-50)51-21-8-3-9-22-51)56(57-28-16-17-29-58(57)61)41-39-47-32-36-49(37-33-47)43-60(52-23-10-4-11-24-52)53-25-12-5-13-26-53/h2-44H,1H3/b40-38-,41-39-
InChIKeyDBJMUBVJNCIYKL-IRGIMFCPSA-N
MW779.04 g/mol
LogP16.33
Rot. Bonds11

About 1,2-bis[(Z)-2-[4-(2,2-diphenylethenyl)phenyl]ethenyl]-4-(2-methylphenyl)naphthalene

1,2-bis[(Z)-2-[4-(2,2-diphenylethenyl)phenyl]ethenyl]-4-(2-methylphenyl)naphthalene (PubChem CID 163509385) has the molecular formula C61H46 and a molecular weight of 779.04 g/mol. Its IUPAC name is 1,2-bis[(Z)-2-[4-(2,2-diphenylethenyl)phenyl]ethenyl]-4-(2-methylphenyl)naphthalene.

Molecular Properties

Compound Name1,2-bis[(Z)-2-[4-(2,2-diphenylethenyl)phenyl]ethenyl]-4-(2-methylphenyl)naphthalene
PubChem CID163509385
Molecular FormulaC61H46
Molecular Weight779.04 g/mol
Exact Mass778.36
IUPAC Name1,2-bis[(Z)-2-[4-(2,2-diphenylethenyl)phenyl]ethenyl]-4-(2-methylphenyl)naphthalene
SMILESCc1ccccc1-c1cc(/C=C\c2ccc(C=C(c3ccccc3)c3ccccc3)cc2)c(/C=C\c2ccc(C=C(c3ccccc3)c3ccccc3)cc2)c2ccccc12
InChIInChI=1S/C61H46/c1-45-18-14-15-27-55(45)61-44-54(40-38-46-30-34-48(35-31-46)42-59(50-19-6-2-7-20-50)51-21-8-3-9-22-51)56(57-28-16-17-29-58(57)61)41-39-47-32-36-49(37-33-47)43-60(52-23-10-4-11-24-52)53-25-12-5-13-26-53/h2-44H,1H3/b40-38-,41-39-
InChIKeyDBJMUBVJNCIYKL-IRGIMFCPSA-N
XLogP16.33
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds11
Heavy Atoms61
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500779.04
LogP ≤ 516.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

1,4-bis[(E)-2-[4-(2,2-diphenylethenyl)phenyl]ethenyl]-2,5-dimethylbenzene
CID 20678111
1,4-bis[(E)-2-[4-(2,2-diphenylethenyl)phenyl]ethenyl]-2,3,5,6-tetramethylbenzene
CID 20678110
1,2-bis[2-[4-[2-(2-methylphenyl)-2-phenylethenyl]phenyl]ethenyl]naphthalene
CID 59100433
1,4-bis[(E)-2-[4-(2,2-diphenylethenyl)phenyl]ethenyl]benzene
CID 20678091
4-(2,2-diphenylethenyl)-1-[4-(2,2-diphenylethenyl)-2-methylphenyl]-2-methylbenzene
CID 20758340
1-(2,2-diphenylethenyl)-4-[2-[4-[4-[2-[4-(2,2-diphenylethenyl)phenyl]ethenyl]phenyl]phenyl]ethenyl]benzene
CID 59965271
N-[4-[(E)-2-[4-[(E)-2-[4-[N-(2,6-dimethylphenyl)-4-(2,2-diphenylethenyl)anilino]phenyl]ethenyl]phenyl]ethenyl]phenyl]-N-[4-(2,2-diphenylethenyl)phenyl]-2,6-dimethylaniline
CID 131974098
1,3-bis[(Z)-2-[4-[2,2-bis(4-methylphenyl)ethenyl]phenyl]ethenyl]naphthalene
CID 147683852
N-[4-[2-[4-[2-[4-[N-(3,4-dimethylphenyl)-4-(2,2-diphenylethenyl)anilino]phenyl]ethenyl]phenyl]ethenyl]phenyl]-N-[4-(2,2-diphenylethenyl)phenyl]-3,4-dimethylaniline
CID 72573967
1,2-diphenylethenylbenzene;2-methylphenol
CID 159908422
N-[4-(2,2-diphenylethenyl)phenyl]-4-methyl-N-(4-methylphenyl)aniline;4-methyl-N-[4-[(E)-2-[2-[(E)-2-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]ethenyl]phenyl]ethenyl]phenyl]-N-(4-methylphenyl)aniline;4-methyl-N-[4-[(E)-2-[4-[(E)-2-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]ethenyl]phenyl]ethenyl]phenyl]-N-(4-methylphenyl)aniline
CID 159829697
1-(2,2-diphenylethenyl)-4-[4-(2,2-diphenylethenyl)phenyl]benzene;9-ethyl-3-[2-[4-[4-[2-(9-ethylcarbazol-3-yl)ethenyl]phenyl]phenyl]ethenyl]carbazole
CID 161385391

Frequently Asked Questions

What is the IUPAC name of 1,2-bis[(Z)-2-[4-(2,2-diphenylethenyl)phenyl]ethenyl]-4-(2-methylphenyl)naphthalene?
The IUPAC name of 1,2-bis[(Z)-2-[4-(2,2-diphenylethenyl)phenyl]ethenyl]-4-(2-methylphenyl)naphthalene (CID 163509385) is 1,2-bis[(Z)-2-[4-(2,2-diphenylethenyl)phenyl]ethenyl]-4-(2-methylphenyl)naphthalene.
What is the SMILES notation for 1,2-bis[(Z)-2-[4-(2,2-diphenylethenyl)phenyl]ethenyl]-4-(2-methylphenyl)naphthalene?
The canonical SMILES for 1,2-bis[(Z)-2-[4-(2,2-diphenylethenyl)phenyl]ethenyl]-4-(2-methylphenyl)naphthalene is Cc1ccccc1-c1cc(/C=C\c2ccc(C=C(c3ccccc3)c3ccccc3)cc2)c(/C=C\c2ccc(C=C(c3ccccc3)c3ccccc3)cc2)c2ccccc12.
What is the InChIKey of 1,2-bis[(Z)-2-[4-(2,2-diphenylethenyl)phenyl]ethenyl]-4-(2-methylphenyl)naphthalene?
The InChIKey is DBJMUBVJNCIYKL-IRGIMFCPSA-N. The full InChI is InChI=1S/C61H46/c1-45-18-14-15-27-55(45)61-44-54(40-38-46-30-34-48(35-31-46)42-59(50-19-6-2-7-20-50)51-21-8-3-9-22-51)56(57-28-16-17-29-58(57)61)41-39-47-32-36-49(37-33-47)43-60(52-23-10-4-11-24-52)53-25-12-5-13-26-53/h2-44H,1H3/b40-38-,41-39-.
What are the key properties of 1,2-bis[(Z)-2-[4-(2,2-diphenylethenyl)phenyl]ethenyl]-4-(2-methylphenyl)naphthalene?
1,2-bis[(Z)-2-[4-(2,2-diphenylethenyl)phenyl]ethenyl]-4-(2-methylphenyl)naphthalene has a molecular weight of 779.04 g/mol, XLogP of 16.33, 11 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-bis[(Z)-2-[4-(2,2-diphenylethenyl)phenyl]ethenyl]-4-(2-methylphenyl)naphthalene is sourced from PubChem (CID 163509385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).