2-[(1E,3Z,5Z)-1-[(6E)-6-[1-[3-(2-ethenylphenyl)-4-methylphenyl]prop-2-enylidene]cyclohexa-2,4-dien-1-ylidene]hepta-3,5-dienyl]naphthalene

C41H36 — CID 144809864

IUPAC2-[(1E,3Z,5Z)-1-[(6E)-6-[1-[3-(2-ethenylphenyl)-4-methylphenyl]prop-2-enylidene]cyclohexa-2,4-dien-1-ylidene]hepta-3,5-dienyl]naphthalene
SMILESC=C/C(c1ccc(C)c(-c2ccccc2C=C)c1)=c1/cccc/c1=C(/C/C=C\C=C/C)c1ccc2ccccc2c1
InChIInChI=1S/C41H36/c1-5-8-9-10-20-38(34-27-26-32-18-11-12-19-33(32)28-34)40-23-16-15-22-39(40)36(7-3)35-25-24-30(4)41(29-35)37-21-14-13-17-31(37)6-2/h5-19,21-29H,2-3,20H2,1,4H3/b8-5-,10-9-,39-36+,40-38+
InChIKeyZWNISVDABAPSSC-YMKWJKFPSA-N
MW528.74 g/mol
LogP9.56
Rot. Bonds8

About 2-[(1E,3Z,5Z)-1-[(6E)-6-[1-[3-(2-ethenylphenyl)-4-methylphenyl]prop-2-enylidene]cyclohexa-2,4-dien-1-ylidene]hepta-3,5-dienyl]naphthalene

2-[(1E,3Z,5Z)-1-[(6E)-6-[1-[3-(2-ethenylphenyl)-4-methylphenyl]prop-2-enylidene]cyclohexa-2,4-dien-1-ylidene]hepta-3,5-dienyl]naphthalene (PubChem CID 144809864) has the molecular formula C41H36 and a molecular weight of 528.74 g/mol. Its IUPAC name is 2-[(1E,3Z,5Z)-1-[(6E)-6-[1-[3-(2-ethenylphenyl)-4-methylphenyl]prop-2-enylidene]cyclohexa-2,4-dien-1-ylidene]hepta-3,5-dienyl]naphthalene.

Molecular Properties

Compound Name2-[(1E,3Z,5Z)-1-[(6E)-6-[1-[3-(2-ethenylphenyl)-4-methylphenyl]prop-2-enylidene]cyclohexa-2,4-dien-1-ylidene]hepta-3,5-dienyl]naphthalene
PubChem CID144809864
Molecular FormulaC41H36
Molecular Weight528.74 g/mol
Exact Mass528.28
IUPAC Name2-[(1E,3Z,5Z)-1-[(6E)-6-[1-[3-(2-ethenylphenyl)-4-methylphenyl]prop-2-enylidene]cyclohexa-2,4-dien-1-ylidene]hepta-3,5-dienyl]naphthalene
SMILESC=C/C(c1ccc(C)c(-c2ccccc2C=C)c1)=c1/cccc/c1=C(/C/C=C\C=C/C)c1ccc2ccccc2c1
InChIInChI=1S/C41H36/c1-5-8-9-10-20-38(34-27-26-32-18-11-12-19-33(32)28-34)40-23-16-15-22-39(40)36(7-3)35-25-24-30(4)41(29-35)37-21-14-13-17-31(37)6-2/h5-19,21-29H,2-3,20H2,1,4H3/b8-5-,10-9-,39-36+,40-38+
InChIKeyZWNISVDABAPSSC-YMKWJKFPSA-N
XLogP9.56
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500528.74
LogP ≤ 59.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

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but-2-enoic acid;copper;naphthalene-2-carboxylic acid
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CID 144893157
2-(2-ethenylphenyl)anthracene
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N-[(E)-2-(2-methylphenyl)ethenyl]naphthalene-2-carboxamide
CID 71501497
N-[(E)-but-2-enyl]naphthalene-2-carboxamide
CID 59644417
4-[4-[(E)-cyclohexa-2,4-dien-1-ylidene-(2-ethenylphenyl)methyl]phenyl]-1-methyl-2-(2-methylphenyl)benzene
CID 143283019
3-naphthalen-2-yl-3-phenylprop-2-enoic acid
CID 54114059
1-(2-ethenylphenyl)-2-methyl-4-propan-2-ylbenzene
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N-hexa-2,4-dienylnaphthalen-2-amine
CID 123968148
4-ethenyl-3-naphthalen-2-ylphenol
CID 18949651

Frequently Asked Questions

What is the IUPAC name of 2-[(1E,3Z,5Z)-1-[(6E)-6-[1-[3-(2-ethenylphenyl)-4-methylphenyl]prop-2-enylidene]cyclohexa-2,4-dien-1-ylidene]hepta-3,5-dienyl]naphthalene?
The IUPAC name of 2-[(1E,3Z,5Z)-1-[(6E)-6-[1-[3-(2-ethenylphenyl)-4-methylphenyl]prop-2-enylidene]cyclohexa-2,4-dien-1-ylidene]hepta-3,5-dienyl]naphthalene (CID 144809864) is 2-[(1E,3Z,5Z)-1-[(6E)-6-[1-[3-(2-ethenylphenyl)-4-methylphenyl]prop-2-enylidene]cyclohexa-2,4-dien-1-ylidene]hepta-3,5-dienyl]naphthalene.
What is the SMILES notation for 2-[(1E,3Z,5Z)-1-[(6E)-6-[1-[3-(2-ethenylphenyl)-4-methylphenyl]prop-2-enylidene]cyclohexa-2,4-dien-1-ylidene]hepta-3,5-dienyl]naphthalene?
The canonical SMILES for 2-[(1E,3Z,5Z)-1-[(6E)-6-[1-[3-(2-ethenylphenyl)-4-methylphenyl]prop-2-enylidene]cyclohexa-2,4-dien-1-ylidene]hepta-3,5-dienyl]naphthalene is C=C/C(c1ccc(C)c(-c2ccccc2C=C)c1)=c1/cccc/c1=C(/C/C=C\C=C/C)c1ccc2ccccc2c1.
What is the InChIKey of 2-[(1E,3Z,5Z)-1-[(6E)-6-[1-[3-(2-ethenylphenyl)-4-methylphenyl]prop-2-enylidene]cyclohexa-2,4-dien-1-ylidene]hepta-3,5-dienyl]naphthalene?
The InChIKey is ZWNISVDABAPSSC-YMKWJKFPSA-N. The full InChI is InChI=1S/C41H36/c1-5-8-9-10-20-38(34-27-26-32-18-11-12-19-33(32)28-34)40-23-16-15-22-39(40)36(7-3)35-25-24-30(4)41(29-35)37-21-14-13-17-31(37)6-2/h5-19,21-29H,2-3,20H2,1,4H3/b8-5-,10-9-,39-36+,40-38+.
What are the key properties of 2-[(1E,3Z,5Z)-1-[(6E)-6-[1-[3-(2-ethenylphenyl)-4-methylphenyl]prop-2-enylidene]cyclohexa-2,4-dien-1-ylidene]hepta-3,5-dienyl]naphthalene?
2-[(1E,3Z,5Z)-1-[(6E)-6-[1-[3-(2-ethenylphenyl)-4-methylphenyl]prop-2-enylidene]cyclohexa-2,4-dien-1-ylidene]hepta-3,5-dienyl]naphthalene has a molecular weight of 528.74 g/mol, XLogP of 9.56, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1E,3Z,5Z)-1-[(6E)-6-[1-[3-(2-ethenylphenyl)-4-methylphenyl]prop-2-enylidene]cyclohexa-2,4-dien-1-ylidene]hepta-3,5-dienyl]naphthalene is sourced from PubChem (CID 144809864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).