1-[(3E,7Z)-5,6-dimethylidene-3-phenyldeca-1,3,7,9-tetraen-4-yl]-3-methyl-5-phenylbenzene

C31H28 — CID 145272446

IUPAC1-[(3E,7Z)-5,6-dimethylidene-3-phenyldeca-1,3,7,9-tetraen-4-yl]-3-methyl-5-phenylbenzene
SMILESC=C/C=C\C(=C)C(=C)/C(=C(\C=C)c1ccccc1)c1cc(C)cc(-c2ccccc2)c1
InChIInChI=1S/C31H28/c1-6-8-15-24(4)25(5)31(30(7-2)27-18-13-10-14-19-27)29-21-23(3)20-28(22-29)26-16-11-9-12-17-26/h6-22H,1-2,4-5H2,3H3/b15-8-,31-30-
InChIKeySXQIPHBEXSOBKH-IKOPCPLNSA-N
MW400.57 g/mol
LogP8.61
Rot. Bonds8

About 1-[(3E,7Z)-5,6-dimethylidene-3-phenyldeca-1,3,7,9-tetraen-4-yl]-3-methyl-5-phenylbenzene

1-[(3E,7Z)-5,6-dimethylidene-3-phenyldeca-1,3,7,9-tetraen-4-yl]-3-methyl-5-phenylbenzene (PubChem CID 145272446) has the molecular formula C31H28 and a molecular weight of 400.57 g/mol. Its IUPAC name is 1-[(3E,7Z)-5,6-dimethylidene-3-phenyldeca-1,3,7,9-tetraen-4-yl]-3-methyl-5-phenylbenzene.

Molecular Properties

Compound Name1-[(3E,7Z)-5,6-dimethylidene-3-phenyldeca-1,3,7,9-tetraen-4-yl]-3-methyl-5-phenylbenzene
PubChem CID145272446
Molecular FormulaC31H28
Molecular Weight400.57 g/mol
Exact Mass400.22
IUPAC Name1-[(3E,7Z)-5,6-dimethylidene-3-phenyldeca-1,3,7,9-tetraen-4-yl]-3-methyl-5-phenylbenzene
SMILESC=C/C=C\C(=C)C(=C)/C(=C(\C=C)c1ccccc1)c1cc(C)cc(-c2ccccc2)c1
InChIInChI=1S/C31H28/c1-6-8-15-24(4)25(5)31(30(7-2)27-18-13-10-14-19-27)29-21-23(3)20-28(22-29)26-16-11-9-12-17-26/h6-22H,1-2,4-5H2,3H3/b15-8-,31-30-
InChIKeySXQIPHBEXSOBKH-IKOPCPLNSA-N
XLogP8.61
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500400.57
LogP ≤ 58.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 1-[(3E,7Z)-5,6-dimethylidene-3-phenyldeca-1,3,7,9-tetraen-4-yl]-3-methyl-5-phenylbenzene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2Z)-1-(3-methyl-5-phenylphenyl)penta-2,4-dien-1-imine
CID 144968069
[(2Z,6Z)-4,5-dimethylidenenona-2,6,8-trien-3-yl]benzene
CID 142604894
1-[(2E,4Z)-hepta-2,4,6-trien-3-yl]-3-[3-[(2E,4Z)-hexa-2,4-dien-3-yl]-5-phenylphenyl]-5-phenylbenzene
CID 143388590
1-(3,5-diphenylphenyl)-3-methyl-5-phenylbenzene
CID 123422549
(2E,3Z)-1-(3-benzoyl-5-methylphenyl)-2-ethylidenehexa-3,5-dien-1-one;ethane
CID 144619668
9-[4-[3-(5,6-dimethylidenedeca-3,7,9-trien-3-yl)phenyl]phenyl]-10-phenylanthracene
CID 123877672
S-[2-[(3Z,7Z)-5,6-dimethylidene-3-phenyldeca-1,3,7,9-tetraen-4-yl]oxyethyl] 2,2-dimethylbutanethioate
CID 122415338
2-methylidene-1-(3-methylphenyl)but-3-en-1-one
CID 123630656
1,3-dimethyl-5-phenylbenzene;methane
CID 143325792
[(2Z,4Z)-2-methoxyhepta-2,4,6-trien-3-yl]benzene
CID 89247777
(3Z)-5,6-dimethylhepta-1,3,5-triene;ethane;prop-1-en-2-ylbenzene
CID 143844790
4-[(3E,7Z)-5,6-dimethylidenedeca-1,3,7,9-tetraen-4-yl]-N,3-diphenyl-N-(4-phenylphenyl)aniline
CID 145117444

Frequently Asked Questions

What is the IUPAC name of 1-[(3E,7Z)-5,6-dimethylidene-3-phenyldeca-1,3,7,9-tetraen-4-yl]-3-methyl-5-phenylbenzene?
The IUPAC name of 1-[(3E,7Z)-5,6-dimethylidene-3-phenyldeca-1,3,7,9-tetraen-4-yl]-3-methyl-5-phenylbenzene (CID 145272446) is 1-[(3E,7Z)-5,6-dimethylidene-3-phenyldeca-1,3,7,9-tetraen-4-yl]-3-methyl-5-phenylbenzene.
What is the SMILES notation for 1-[(3E,7Z)-5,6-dimethylidene-3-phenyldeca-1,3,7,9-tetraen-4-yl]-3-methyl-5-phenylbenzene?
The canonical SMILES for 1-[(3E,7Z)-5,6-dimethylidene-3-phenyldeca-1,3,7,9-tetraen-4-yl]-3-methyl-5-phenylbenzene is C=C/C=C\C(=C)C(=C)/C(=C(\C=C)c1ccccc1)c1cc(C)cc(-c2ccccc2)c1.
What is the InChIKey of 1-[(3E,7Z)-5,6-dimethylidene-3-phenyldeca-1,3,7,9-tetraen-4-yl]-3-methyl-5-phenylbenzene?
The InChIKey is SXQIPHBEXSOBKH-IKOPCPLNSA-N. The full InChI is InChI=1S/C31H28/c1-6-8-15-24(4)25(5)31(30(7-2)27-18-13-10-14-19-27)29-21-23(3)20-28(22-29)26-16-11-9-12-17-26/h6-22H,1-2,4-5H2,3H3/b15-8-,31-30-.
What are the key properties of 1-[(3E,7Z)-5,6-dimethylidene-3-phenyldeca-1,3,7,9-tetraen-4-yl]-3-methyl-5-phenylbenzene?
1-[(3E,7Z)-5,6-dimethylidene-3-phenyldeca-1,3,7,9-tetraen-4-yl]-3-methyl-5-phenylbenzene has a molecular weight of 400.57 g/mol, XLogP of 8.61, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3E,7Z)-5,6-dimethylidene-3-phenyldeca-1,3,7,9-tetraen-4-yl]-3-methyl-5-phenylbenzene is sourced from PubChem (CID 145272446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).