benzhydryl-[[6-[(E)-2-[6-[(E)-3-cyclohexa-2,4-dien-1-ylidene-3-phenylprop-1-enyl]naphthalen-2-yl]ethenyl]naphthalen-2-yl]methyl]diazene

C51H40N2 — CID 91278691

IUPACbenzhydryl-[[6-[(E)-2-[6-[(E)-3-cyclohexa-2,4-dien-1-ylidene-3-phenylprop-1-enyl]naphthalen-2-yl]ethenyl]naphthalen-2-yl]methyl]diazene
SMILESC1=CCC(=C(/C=C/c2ccc3cc(/C=C/c4ccc5cc(C/N=N/C(c6ccccc6)c6ccccc6)ccc5c4)ccc3c2)c2ccccc2)C=C1
InChIInChI=1S/C51H40N2/c1-5-13-42(14-6-1)50(43-15-7-2-8-16-43)32-27-40-25-29-46-33-38(23-28-47(46)35-40)21-22-39-24-30-49-36-41(26-31-48(49)34-39)37-52-53-51(44-17-9-3-10-18-44)45-19-11-4-12-20-45/h1-15,17-36,51H,16,37H2/b22-21+,32-27+,50-43?,53-52+
InChIKeyYZTLUPOTAMFTKA-KVHAMKEVSA-N
MW680.90 g/mol
LogP13.89
Rot. Bonds10

About benzhydryl-[[6-[(E)-2-[6-[(E)-3-cyclohexa-2,4-dien-1-ylidene-3-phenylprop-1-enyl]naphthalen-2-yl]ethenyl]naphthalen-2-yl]methyl]diazene

benzhydryl-[[6-[(E)-2-[6-[(E)-3-cyclohexa-2,4-dien-1-ylidene-3-phenylprop-1-enyl]naphthalen-2-yl]ethenyl]naphthalen-2-yl]methyl]diazene (PubChem CID 91278691) has the molecular formula C51H40N2 and a molecular weight of 680.90 g/mol. Its IUPAC name is benzhydryl-[[6-[(E)-2-[6-[(E)-3-cyclohexa-2,4-dien-1-ylidene-3-phenylprop-1-enyl]naphthalen-2-yl]ethenyl]naphthalen-2-yl]methyl]diazene.

Molecular Properties

Compound Namebenzhydryl-[[6-[(E)-2-[6-[(E)-3-cyclohexa-2,4-dien-1-ylidene-3-phenylprop-1-enyl]naphthalen-2-yl]ethenyl]naphthalen-2-yl]methyl]diazene
PubChem CID91278691
Molecular FormulaC51H40N2
Molecular Weight680.90 g/mol
Exact Mass680.32
IUPAC Namebenzhydryl-[[6-[(E)-2-[6-[(E)-3-cyclohexa-2,4-dien-1-ylidene-3-phenylprop-1-enyl]naphthalen-2-yl]ethenyl]naphthalen-2-yl]methyl]diazene
SMILESC1=CCC(=C(/C=C/c2ccc3cc(/C=C/c4ccc5cc(C/N=N/C(c6ccccc6)c6ccccc6)ccc5c4)ccc3c2)c2ccccc2)C=C1
InChIInChI=1S/C51H40N2/c1-5-13-42(14-6-1)50(43-15-7-2-8-16-43)32-27-40-25-29-46-33-38(23-28-47(46)35-40)21-22-39-24-30-49-36-41(26-31-48(49)34-39)37-52-53-51(44-17-9-3-10-18-44)45-19-11-4-12-20-45/h1-15,17-36,51H,16,37H2/b22-21+,32-27+,50-43?,53-52+
InChIKeyYZTLUPOTAMFTKA-KVHAMKEVSA-N
XLogP13.89
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500680.90
LogP ≤ 513.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'stilbene', 'substructure': 'N/A'}

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Related Compounds

N-[(E)-cyclohexa-2,4-dien-1-ylidene(phenyl)methyl]ethanimine
CID 145442127
2-ethyl-6-[(1E)-3-methylbuta-1,3-dienyl]naphthalene
CID 145390100
N'-[(E)-cyclohexa-2,4-dien-1-ylidene(phenyl)methyl]-4-methylbenzenecarboximidamide
CID 142293657
2-(2,2-diphenylethenyl)-6-[2-[6-(2-naphthalen-2-ylethenyl)naphthalen-2-yl]ethenyl]naphthalene
CID 72565680
2-(4-phenylphenyl)-6-[2-[6-(4-phenylphenyl)naphthalen-2-yl]ethenyl]naphthalene
CID 72565666
2-[(Z)-2-anthracen-2-ylethenyl]anthracene
CID 101144533
2-[(E)-2-[4-[(E)-2-naphthalen-2-ylethenyl]phenyl]ethenyl]naphthalene
CID 20801533
(E)-3-(4-ethylphenyl)-1-naphthalen-2-ylprop-2-en-1-one
CID 19561296
benzene;2-benzyl-7-[4-[(2E,4E)-3,5-diphenylpenta-2,4-dienyl]phenyl]naphthalene
CID 142424995
1,7-dinaphthalen-2-ylhepta-1,6-diene-3,5-dione
CID 86098447
2-phenylethyl (E)-3-naphthalen-2-ylprop-2-enoate
CID 138558211
2-(2-phenylheptyl)naphthalene
CID 174423017

Frequently Asked Questions

What is the IUPAC name of benzhydryl-[[6-[(E)-2-[6-[(E)-3-cyclohexa-2,4-dien-1-ylidene-3-phenylprop-1-enyl]naphthalen-2-yl]ethenyl]naphthalen-2-yl]methyl]diazene?
The IUPAC name of benzhydryl-[[6-[(E)-2-[6-[(E)-3-cyclohexa-2,4-dien-1-ylidene-3-phenylprop-1-enyl]naphthalen-2-yl]ethenyl]naphthalen-2-yl]methyl]diazene (CID 91278691) is benzhydryl-[[6-[(E)-2-[6-[(E)-3-cyclohexa-2,4-dien-1-ylidene-3-phenylprop-1-enyl]naphthalen-2-yl]ethenyl]naphthalen-2-yl]methyl]diazene.
What is the SMILES notation for benzhydryl-[[6-[(E)-2-[6-[(E)-3-cyclohexa-2,4-dien-1-ylidene-3-phenylprop-1-enyl]naphthalen-2-yl]ethenyl]naphthalen-2-yl]methyl]diazene?
The canonical SMILES for benzhydryl-[[6-[(E)-2-[6-[(E)-3-cyclohexa-2,4-dien-1-ylidene-3-phenylprop-1-enyl]naphthalen-2-yl]ethenyl]naphthalen-2-yl]methyl]diazene is C1=CCC(=C(/C=C/c2ccc3cc(/C=C/c4ccc5cc(C/N=N/C(c6ccccc6)c6ccccc6)ccc5c4)ccc3c2)c2ccccc2)C=C1.
What is the InChIKey of benzhydryl-[[6-[(E)-2-[6-[(E)-3-cyclohexa-2,4-dien-1-ylidene-3-phenylprop-1-enyl]naphthalen-2-yl]ethenyl]naphthalen-2-yl]methyl]diazene?
The InChIKey is YZTLUPOTAMFTKA-KVHAMKEVSA-N. The full InChI is InChI=1S/C51H40N2/c1-5-13-42(14-6-1)50(43-15-7-2-8-16-43)32-27-40-25-29-46-33-38(23-28-47(46)35-40)21-22-39-24-30-49-36-41(26-31-48(49)34-39)37-52-53-51(44-17-9-3-10-18-44)45-19-11-4-12-20-45/h1-15,17-36,51H,16,37H2/b22-21+,32-27+,50-43?,53-52+.
What are the key properties of benzhydryl-[[6-[(E)-2-[6-[(E)-3-cyclohexa-2,4-dien-1-ylidene-3-phenylprop-1-enyl]naphthalen-2-yl]ethenyl]naphthalen-2-yl]methyl]diazene?
benzhydryl-[[6-[(E)-2-[6-[(E)-3-cyclohexa-2,4-dien-1-ylidene-3-phenylprop-1-enyl]naphthalen-2-yl]ethenyl]naphthalen-2-yl]methyl]diazene has a molecular weight of 680.90 g/mol, XLogP of 13.89, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for benzhydryl-[[6-[(E)-2-[6-[(E)-3-cyclohexa-2,4-dien-1-ylidene-3-phenylprop-1-enyl]naphthalen-2-yl]ethenyl]naphthalen-2-yl]methyl]diazene is sourced from PubChem (CID 91278691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).