1,3-bis[(2E,4Z)-hexa-2,4-dien-3-yl]-4-methyl-5-[(2E)-penta-2,4-dien-2-yl]-2-phenylbenzene

C30H34 — CID 174013774

IUPAC1,3-bis[(2E,4Z)-hexa-2,4-dien-3-yl]-4-methyl-5-[(2E)-penta-2,4-dien-2-yl]-2-phenylbenzene
SMILESC=C/C=C(\C)c1cc(C(/C=C\C)=C/C)c(-c2ccccc2)c(C(/C=C\C)=C/C)c1C
InChIInChI=1S/C30H34/c1-8-16-22(6)27-21-28(24(11-4)17-9-2)30(26-19-14-13-15-20-26)29(23(27)7)25(12-5)18-10-3/h8-21H,1H2,2-7H3/b17-9-,18-10-,22-16+,24-11+,25-12+
InChIKeyRFEVWHNAVYDIFY-ZWBOEGKBSA-N
MW394.60 g/mol
LogP9.21
Rot. Bonds7

About 1,3-bis[(2E,4Z)-hexa-2,4-dien-3-yl]-4-methyl-5-[(2E)-penta-2,4-dien-2-yl]-2-phenylbenzene

1,3-bis[(2E,4Z)-hexa-2,4-dien-3-yl]-4-methyl-5-[(2E)-penta-2,4-dien-2-yl]-2-phenylbenzene (PubChem CID 174013774) has the molecular formula C30H34 and a molecular weight of 394.60 g/mol. Its IUPAC name is 1,3-bis[(2E,4Z)-hexa-2,4-dien-3-yl]-4-methyl-5-[(2E)-penta-2,4-dien-2-yl]-2-phenylbenzene.

Molecular Properties

Compound Name1,3-bis[(2E,4Z)-hexa-2,4-dien-3-yl]-4-methyl-5-[(2E)-penta-2,4-dien-2-yl]-2-phenylbenzene
PubChem CID174013774
Molecular FormulaC30H34
Molecular Weight394.60 g/mol
Exact Mass394.27
IUPAC Name1,3-bis[(2E,4Z)-hexa-2,4-dien-3-yl]-4-methyl-5-[(2E)-penta-2,4-dien-2-yl]-2-phenylbenzene
SMILESC=C/C=C(\C)c1cc(C(/C=C\C)=C/C)c(-c2ccccc2)c(C(/C=C\C)=C/C)c1C
InChIInChI=1S/C30H34/c1-8-16-22(6)27-21-28(24(11-4)17-9-2)30(26-19-14-13-15-20-26)29(23(27)7)25(12-5)18-10-3/h8-21H,1H2,2-7H3/b17-9-,18-10-,22-16+,24-11+,25-12+
InChIKeyRFEVWHNAVYDIFY-ZWBOEGKBSA-N
XLogP9.21
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.60
LogP ≤ 59.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,3-bis[(2E,4Z)-hexa-2,4-dien-3-yl]-4-methyl-5-[(2E)-penta-2,4-dien-2-yl]-2-phenylbenzene?
The IUPAC name of 1,3-bis[(2E,4Z)-hexa-2,4-dien-3-yl]-4-methyl-5-[(2E)-penta-2,4-dien-2-yl]-2-phenylbenzene (CID 174013774) is 1,3-bis[(2E,4Z)-hexa-2,4-dien-3-yl]-4-methyl-5-[(2E)-penta-2,4-dien-2-yl]-2-phenylbenzene.
What is the SMILES notation for 1,3-bis[(2E,4Z)-hexa-2,4-dien-3-yl]-4-methyl-5-[(2E)-penta-2,4-dien-2-yl]-2-phenylbenzene?
The canonical SMILES for 1,3-bis[(2E,4Z)-hexa-2,4-dien-3-yl]-4-methyl-5-[(2E)-penta-2,4-dien-2-yl]-2-phenylbenzene is C=C/C=C(\C)c1cc(C(/C=C\C)=C/C)c(-c2ccccc2)c(C(/C=C\C)=C/C)c1C.
What is the InChIKey of 1,3-bis[(2E,4Z)-hexa-2,4-dien-3-yl]-4-methyl-5-[(2E)-penta-2,4-dien-2-yl]-2-phenylbenzene?
The InChIKey is RFEVWHNAVYDIFY-ZWBOEGKBSA-N. The full InChI is InChI=1S/C30H34/c1-8-16-22(6)27-21-28(24(11-4)17-9-2)30(26-19-14-13-15-20-26)29(23(27)7)25(12-5)18-10-3/h8-21H,1H2,2-7H3/b17-9-,18-10-,22-16+,24-11+,25-12+.
What are the key properties of 1,3-bis[(2E,4Z)-hexa-2,4-dien-3-yl]-4-methyl-5-[(2E)-penta-2,4-dien-2-yl]-2-phenylbenzene?
1,3-bis[(2E,4Z)-hexa-2,4-dien-3-yl]-4-methyl-5-[(2E)-penta-2,4-dien-2-yl]-2-phenylbenzene has a molecular weight of 394.60 g/mol, XLogP of 9.21, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-bis[(2E,4Z)-hexa-2,4-dien-3-yl]-4-methyl-5-[(2E)-penta-2,4-dien-2-yl]-2-phenylbenzene is sourced from PubChem (CID 174013774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).