1-[(2E,4Z)-hexa-2,4-dien-3-yl]-3-(4-methylphenyl)benzene;1-[(3E)-hexa-1,3,5-trien-3-yl]-3-(4-methylphenyl)benzene;1-methyl-4-(4-methylphenyl)benzene;bis(1-methyl-4-(3-phenylphenyl)benzene)

C90H84 — CID 142053995

IUPAC1-[(2E,4Z)-hexa-2,4-dien-3-yl]-3-(4-methylphenyl)benzene;1-[(3E)-hexa-1,3,5-trien-3-yl]-3-(4-methylphenyl)benzene;1-methyl-4-(4-methylphenyl)benzene;bis(1-methyl-4-(3-phenylphenyl)benzene)
SMILESC/C=C\C(=C/C)c1cccc(-c2ccc(C)cc2)c1.C=C/C=C(\C=C)c1cccc(-c2ccc(C)cc2)c1.Cc1ccc(-c2ccc(C)cc2)cc1.Cc1ccc(-c2cccc(-c3ccccc3)c2)cc1.Cc1ccc(-c2cccc(-c3ccccc3)c2)cc1
InChIInChI=1S/2C19H16.C19H20.C19H18.C14H14/c2*1-15-10-12-17(13-11-15)19-9-5-8-18(14-19)16-6-3-2-4-7-16;2*1-4-7-16(5-2)18-8-6-9-19(14-18)17-12-10-15(3)11-13-17;1-11-3-7-13(8-4-11)14-9-5-12(2)6-10-14/h2*2-14H,1H3;4-14H,1-3H3;4-14H,1-2H2,3H3;3-10H,1-2H3/b;;7-4-,16-5+;16-7+;
InChIKeyMHCLVDVDLYVWHK-PDBMZLCBSA-N
MW1165.66 g/mol
LogP25.69
Rot. Bonds12

About 1-[(2E,4Z)-hexa-2,4-dien-3-yl]-3-(4-methylphenyl)benzene;1-[(3E)-hexa-1,3,5-trien-3-yl]-3-(4-methylphenyl)benzene;1-methyl-4-(4-methylphenyl)benzene;bis(1-methyl-4-(3-phenylphenyl)benzene)

1-[(2E,4Z)-hexa-2,4-dien-3-yl]-3-(4-methylphenyl)benzene;1-[(3E)-hexa-1,3,5-trien-3-yl]-3-(4-methylphenyl)benzene;1-methyl-4-(4-methylphenyl)benzene;bis(1-methyl-4-(3-phenylphenyl)benzene) (PubChem CID 142053995) has the molecular formula C90H84 and a molecular weight of 1165.66 g/mol. Its IUPAC name is 1-[(2E,4Z)-hexa-2,4-dien-3-yl]-3-(4-methylphenyl)benzene;1-[(3E)-hexa-1,3,5-trien-3-yl]-3-(4-methylphenyl)benzene;1-methyl-4-(4-methylphenyl)benzene;bis(1-methyl-4-(3-phenylphenyl)benzene).

Molecular Properties

Compound Name1-[(2E,4Z)-hexa-2,4-dien-3-yl]-3-(4-methylphenyl)benzene;1-[(3E)-hexa-1,3,5-trien-3-yl]-3-(4-methylphenyl)benzene;1-methyl-4-(4-methylphenyl)benzene;bis(1-methyl-4-(3-phenylphenyl)benzene)
PubChem CID142053995
Molecular FormulaC90H84
Molecular Weight1165.66 g/mol
Exact Mass1164.66
IUPAC Name1-[(2E,4Z)-hexa-2,4-dien-3-yl]-3-(4-methylphenyl)benzene;1-[(3E)-hexa-1,3,5-trien-3-yl]-3-(4-methylphenyl)benzene;1-methyl-4-(4-methylphenyl)benzene;bis(1-methyl-4-(3-phenylphenyl)benzene)
SMILESC/C=C\C(=C/C)c1cccc(-c2ccc(C)cc2)c1.C=C/C=C(\C=C)c1cccc(-c2ccc(C)cc2)c1.Cc1ccc(-c2ccc(C)cc2)cc1.Cc1ccc(-c2cccc(-c3ccccc3)c2)cc1.Cc1ccc(-c2cccc(-c3ccccc3)c2)cc1
InChIInChI=1S/2C19H16.C19H20.C19H18.C14H14/c2*1-15-10-12-17(13-11-15)19-9-5-8-18(14-19)16-6-3-2-4-7-16;2*1-4-7-16(5-2)18-8-6-9-19(14-18)17-12-10-15(3)11-13-17;1-11-3-7-13(8-4-11)14-9-5-12(2)6-10-14/h2*2-14H,1H3;4-14H,1-3H3;4-14H,1-2H2,3H3;3-10H,1-2H3/b;;7-4-,16-5+;16-7+;
InChIKeyMHCLVDVDLYVWHK-PDBMZLCBSA-N
XLogP25.69
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds12
Heavy Atoms90
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001165.66
LogP ≤ 525.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 1-[(2E,4Z)-hexa-2,4-dien-3-yl]-3-(4-methylphenyl)benzene;1-[(3E)-hexa-1,3,5-trien-3-yl]-3-(4-methylphenyl)benzene;1-methyl-4-(4-methylphenyl)benzene;bis(1-methyl-4-(3-phenylphenyl)benzene) with MolForge

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Related Compounds

ethane;1-[(2E,4Z)-hexa-2,4-dien-3-yl]-3-phenylbenzene
CID 145073107
1-[(2E,4Z)-hexa-2,4-dien-3-yl]-3-phenylbenzene;methane
CID 144938526
1-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-3-[(3E)-hexa-1,3,5-trien-3-yl]benzene
CID 144938700
3-hepta-1,3,5-trien-4-yl-N,N-bis(4-phenylphenyl)aniline
CID 123189179
1-[(1Z,3E)-3-(4-methylphenyl)hexa-1,3,5-trienyl]-4-(3-phenylphenyl)benzene
CID 145299688
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
butane;1-[(3E)-hexa-1,3,5-trien-3-yl]-4-methylbenzene;1-methyl-4-phenylbenzene
CID 143258113
ethane;9-[3-[(2E,4Z)-hexa-2,4-dien-3-yl]phenyl]-10-[4-[(3E)-penta-1,3-dien-3-yl]phenyl]anthracene
CID 168994151
N-[3-[(3E)-hexa-1,3,5-trien-3-yl]phenyl]-3-phenylaniline
CID 145280393
2-[4-[(3E)-hexa-1,3,5-trien-3-yl]phenyl]-4-(3-methylphenyl)-6-phenyl-1,3,5-triazine
CID 144834616
1-ethyl-4-[(3E,5Z)-hepta-1,3,5-trien-4-yl]benzene;[(3E,5Z)-hepta-1,3,5-trien-3-yl]benzene;1-methyl-4-phenylbenzene;[4-(4-methylphenyl)phenyl]-(4-phenylphenyl)phosphane
CID 143743025
3-[(2E,4Z)-hexa-2,4-dien-3-yl]-N-[[3-[(3E)-hexa-1,3,5-trien-3-yl]phenyl]-(methylideneamino)methylidene]-N'-methylbenzenecarboximidamide
CID 144989732

Frequently Asked Questions

What is the IUPAC name of 1-[(2E,4Z)-hexa-2,4-dien-3-yl]-3-(4-methylphenyl)benzene;1-[(3E)-hexa-1,3,5-trien-3-yl]-3-(4-methylphenyl)benzene;1-methyl-4-(4-methylphenyl)benzene;bis(1-methyl-4-(3-phenylphenyl)benzene)?
The IUPAC name of 1-[(2E,4Z)-hexa-2,4-dien-3-yl]-3-(4-methylphenyl)benzene;1-[(3E)-hexa-1,3,5-trien-3-yl]-3-(4-methylphenyl)benzene;1-methyl-4-(4-methylphenyl)benzene;bis(1-methyl-4-(3-phenylphenyl)benzene) (CID 142053995) is 1-[(2E,4Z)-hexa-2,4-dien-3-yl]-3-(4-methylphenyl)benzene;1-[(3E)-hexa-1,3,5-trien-3-yl]-3-(4-methylphenyl)benzene;1-methyl-4-(4-methylphenyl)benzene;bis(1-methyl-4-(3-phenylphenyl)benzene).
What is the SMILES notation for 1-[(2E,4Z)-hexa-2,4-dien-3-yl]-3-(4-methylphenyl)benzene;1-[(3E)-hexa-1,3,5-trien-3-yl]-3-(4-methylphenyl)benzene;1-methyl-4-(4-methylphenyl)benzene;bis(1-methyl-4-(3-phenylphenyl)benzene)?
The canonical SMILES for 1-[(2E,4Z)-hexa-2,4-dien-3-yl]-3-(4-methylphenyl)benzene;1-[(3E)-hexa-1,3,5-trien-3-yl]-3-(4-methylphenyl)benzene;1-methyl-4-(4-methylphenyl)benzene;bis(1-methyl-4-(3-phenylphenyl)benzene) is C/C=C\C(=C/C)c1cccc(-c2ccc(C)cc2)c1.C=C/C=C(\C=C)c1cccc(-c2ccc(C)cc2)c1.Cc1ccc(-c2ccc(C)cc2)cc1.Cc1ccc(-c2cccc(-c3ccccc3)c2)cc1.Cc1ccc(-c2cccc(-c3ccccc3)c2)cc1.
What is the InChIKey of 1-[(2E,4Z)-hexa-2,4-dien-3-yl]-3-(4-methylphenyl)benzene;1-[(3E)-hexa-1,3,5-trien-3-yl]-3-(4-methylphenyl)benzene;1-methyl-4-(4-methylphenyl)benzene;bis(1-methyl-4-(3-phenylphenyl)benzene)?
The InChIKey is MHCLVDVDLYVWHK-PDBMZLCBSA-N. The full InChI is InChI=1S/2C19H16.C19H20.C19H18.C14H14/c2*1-15-10-12-17(13-11-15)19-9-5-8-18(14-19)16-6-3-2-4-7-16;2*1-4-7-16(5-2)18-8-6-9-19(14-18)17-12-10-15(3)11-13-17;1-11-3-7-13(8-4-11)14-9-5-12(2)6-10-14/h2*2-14H,1H3;4-14H,1-3H3;4-14H,1-2H2,3H3;3-10H,1-2H3/b;;7-4-,16-5+;16-7+;.
What are the key properties of 1-[(2E,4Z)-hexa-2,4-dien-3-yl]-3-(4-methylphenyl)benzene;1-[(3E)-hexa-1,3,5-trien-3-yl]-3-(4-methylphenyl)benzene;1-methyl-4-(4-methylphenyl)benzene;bis(1-methyl-4-(3-phenylphenyl)benzene)?
1-[(2E,4Z)-hexa-2,4-dien-3-yl]-3-(4-methylphenyl)benzene;1-[(3E)-hexa-1,3,5-trien-3-yl]-3-(4-methylphenyl)benzene;1-methyl-4-(4-methylphenyl)benzene;bis(1-methyl-4-(3-phenylphenyl)benzene) has a molecular weight of 1165.66 g/mol, XLogP of 25.69, 12 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2E,4Z)-hexa-2,4-dien-3-yl]-3-(4-methylphenyl)benzene;1-[(3E)-hexa-1,3,5-trien-3-yl]-3-(4-methylphenyl)benzene;1-methyl-4-(4-methylphenyl)benzene;bis(1-methyl-4-(3-phenylphenyl)benzene) is sourced from PubChem (CID 142053995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).