1-methyl-5-[(2E,4Z,6Z)-4-(2-phenylprop-2-enylidene)nona-2,6,8-trien-2-yl]naphthalene

C29H28 — CID 144969308

IUPAC1-methyl-5-[(2E,4Z,6Z)-4-(2-phenylprop-2-enylidene)nona-2,6,8-trien-2-yl]naphthalene
SMILESC=C/C=C\CC(=C/C(=C)c1ccccc1)/C=C(\C)c1cccc2c(C)cccc12
InChIInChI=1S/C29H28/c1-5-6-8-14-25(20-23(3)26-15-9-7-10-16-26)21-24(4)28-18-12-17-27-22(2)13-11-19-29(27)28/h5-13,15-21H,1,3,14H2,2,4H3/b8-6-,24-21+,25-20-
InChIKeyDEVQFHXGPWFAIJ-JHTOZXPNSA-N
MW376.54 g/mol
LogP8.32
Rot. Bonds7

About 1-methyl-5-[(2E,4Z,6Z)-4-(2-phenylprop-2-enylidene)nona-2,6,8-trien-2-yl]naphthalene

1-methyl-5-[(2E,4Z,6Z)-4-(2-phenylprop-2-enylidene)nona-2,6,8-trien-2-yl]naphthalene (PubChem CID 144969308) has the molecular formula C29H28 and a molecular weight of 376.54 g/mol. Its IUPAC name is 1-methyl-5-[(2E,4Z,6Z)-4-(2-phenylprop-2-enylidene)nona-2,6,8-trien-2-yl]naphthalene.

Molecular Properties

Compound Name1-methyl-5-[(2E,4Z,6Z)-4-(2-phenylprop-2-enylidene)nona-2,6,8-trien-2-yl]naphthalene
PubChem CID144969308
Molecular FormulaC29H28
Molecular Weight376.54 g/mol
Exact Mass376.22
IUPAC Name1-methyl-5-[(2E,4Z,6Z)-4-(2-phenylprop-2-enylidene)nona-2,6,8-trien-2-yl]naphthalene
SMILESC=C/C=C\CC(=C/C(=C)c1ccccc1)/C=C(\C)c1cccc2c(C)cccc12
InChIInChI=1S/C29H28/c1-5-6-8-14-25(20-23(3)26-15-9-7-10-16-26)21-24(4)28-18-12-17-27-22(2)13-11-19-29(27)28/h5-13,15-21H,1,3,14H2,2,4H3/b8-6-,24-21+,25-20-
InChIKeyDEVQFHXGPWFAIJ-JHTOZXPNSA-N
XLogP8.32
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.54
LogP ≤ 58.32
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

5-[(3Z)-4-(2-methylphenyl)penta-1,3-dien-2-yl]-7,12-diphenylbenzo[k]fluoranthene
CID 143708183
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CID 91317530
5-ethenyl-1-methylphenanthrene
CID 156783838
1-[(E)-but-2-en-2-yl]-4-methylnaphthalene
CID 144623185
1-methyl-2-[(3Z)-4-methylhexa-1,3,5-trien-2-yl]benzene
CID 142567671
1-(5-methylnaphthalen-1-yl)prop-2-en-1-one
CID 89106757
8,9-bis(ethenyl)-12-hexa-2,4-dien-2-yl-5-hexa-1,3,5-trien-2-ylbenzo[10]annulene
CID 123191110
carbonic acid;1-methylnaphthalene
CID 66808059
1-methyl-2-[(2E)-octa-2,4,7-trien-2-yl]benzene
CID 142986791
acetaldehyde;ethane;1-methyl-2-[(2Z)-4-[4-(3-methylphenyl)phenyl]penta-2,4-dien-2-yl]benzene
CID 145465538
CID 172736940
CID 172736940
1-(1-bromoprop-1-en-2-yl)naphthalene
CID 158497087

Frequently Asked Questions

What is the IUPAC name of 1-methyl-5-[(2E,4Z,6Z)-4-(2-phenylprop-2-enylidene)nona-2,6,8-trien-2-yl]naphthalene?
The IUPAC name of 1-methyl-5-[(2E,4Z,6Z)-4-(2-phenylprop-2-enylidene)nona-2,6,8-trien-2-yl]naphthalene (CID 144969308) is 1-methyl-5-[(2E,4Z,6Z)-4-(2-phenylprop-2-enylidene)nona-2,6,8-trien-2-yl]naphthalene.
What is the SMILES notation for 1-methyl-5-[(2E,4Z,6Z)-4-(2-phenylprop-2-enylidene)nona-2,6,8-trien-2-yl]naphthalene?
The canonical SMILES for 1-methyl-5-[(2E,4Z,6Z)-4-(2-phenylprop-2-enylidene)nona-2,6,8-trien-2-yl]naphthalene is C=C/C=C\CC(=C/C(=C)c1ccccc1)/C=C(\C)c1cccc2c(C)cccc12.
What is the InChIKey of 1-methyl-5-[(2E,4Z,6Z)-4-(2-phenylprop-2-enylidene)nona-2,6,8-trien-2-yl]naphthalene?
The InChIKey is DEVQFHXGPWFAIJ-JHTOZXPNSA-N. The full InChI is InChI=1S/C29H28/c1-5-6-8-14-25(20-23(3)26-15-9-7-10-16-26)21-24(4)28-18-12-17-27-22(2)13-11-19-29(27)28/h5-13,15-21H,1,3,14H2,2,4H3/b8-6-,24-21+,25-20-.
What are the key properties of 1-methyl-5-[(2E,4Z,6Z)-4-(2-phenylprop-2-enylidene)nona-2,6,8-trien-2-yl]naphthalene?
1-methyl-5-[(2E,4Z,6Z)-4-(2-phenylprop-2-enylidene)nona-2,6,8-trien-2-yl]naphthalene has a molecular weight of 376.54 g/mol, XLogP of 8.32, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-5-[(2E,4Z,6Z)-4-(2-phenylprop-2-enylidene)nona-2,6,8-trien-2-yl]naphthalene is sourced from PubChem (CID 144969308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).