ethene;methane;1-methyl-2-[2-methyl-5-[4-methyl-3-(2-methylphenyl)phenyl]phenyl]-3-prop-1-en-2-ylbenzene;(2Z,4Z,6E)-octa-2,4,6-triene;prop-1-en-2-ylbenzene;toluene

C65H76 — CID 145007178

IUPACethene;methane;1-methyl-2-[2-methyl-5-[4-methyl-3-(2-methylphenyl)phenyl]phenyl]-3-prop-1-en-2-ylbenzene;(2Z,4Z,6E)-octa-2,4,6-triene;prop-1-en-2-ylbenzene;toluene
SMILESC.C/C=C\C=C/C=C/C.C=C.C=C(C)c1cccc(C)c1-c1cc(-c2ccc(C)c(-c3ccccc3C)c2)ccc1C.C=C(C)c1ccccc1.Cc1ccccc1.Cc1ccccc1
InChIInChI=1S/C31H30.C9H10.C8H12.2C7H8.C2H4.CH4/c1-20(2)27-13-9-11-24(6)31(27)30-19-26(17-15-23(30)5)25-16-14-22(4)29(18-25)28-12-8-7-10-21(28)3;1-8(2)9-6-4-3-5-7-9;1-3-5-7-8-6-4-2;2*1-7-5-3-2-4-6-7;1-2;/h7-19H,1H2,2-6H3;3-7H,1H2,2H3;3-8H,1-2H3;2*2-6H,1H3;1-2H2;1H4/b;;5-3-,6-4+,8-7-;;;;
InChIKeyPLDJBUAHGCBHMS-FNGAGNOYSA-N
MW857.32 g/mol
LogP19.80
Rot. Bonds7

About ethene;methane;1-methyl-2-[2-methyl-5-[4-methyl-3-(2-methylphenyl)phenyl]phenyl]-3-prop-1-en-2-ylbenzene;(2Z,4Z,6E)-octa-2,4,6-triene;prop-1-en-2-ylbenzene;toluene

ethene;methane;1-methyl-2-[2-methyl-5-[4-methyl-3-(2-methylphenyl)phenyl]phenyl]-3-prop-1-en-2-ylbenzene;(2Z,4Z,6E)-octa-2,4,6-triene;prop-1-en-2-ylbenzene;toluene (PubChem CID 145007178) has the molecular formula C65H76 and a molecular weight of 857.32 g/mol. Its IUPAC name is ethene;methane;1-methyl-2-[2-methyl-5-[4-methyl-3-(2-methylphenyl)phenyl]phenyl]-3-prop-1-en-2-ylbenzene;(2Z,4Z,6E)-octa-2,4,6-triene;prop-1-en-2-ylbenzene;toluene.

Molecular Properties

Compound Nameethene;methane;1-methyl-2-[2-methyl-5-[4-methyl-3-(2-methylphenyl)phenyl]phenyl]-3-prop-1-en-2-ylbenzene;(2Z,4Z,6E)-octa-2,4,6-triene;prop-1-en-2-ylbenzene;toluene
PubChem CID145007178
Molecular FormulaC65H76
Molecular Weight857.32 g/mol
Exact Mass856.59
IUPAC Nameethene;methane;1-methyl-2-[2-methyl-5-[4-methyl-3-(2-methylphenyl)phenyl]phenyl]-3-prop-1-en-2-ylbenzene;(2Z,4Z,6E)-octa-2,4,6-triene;prop-1-en-2-ylbenzene;toluene
SMILESC.C/C=C\C=C/C=C/C.C=C.C=C(C)c1cccc(C)c1-c1cc(-c2ccc(C)c(-c3ccccc3C)c2)ccc1C.C=C(C)c1ccccc1.Cc1ccccc1.Cc1ccccc1
InChIInChI=1S/C31H30.C9H10.C8H12.2C7H8.C2H4.CH4/c1-20(2)27-13-9-11-24(6)31(27)30-19-26(17-15-23(30)5)25-16-14-22(4)29(18-25)28-12-8-7-10-21(28)3;1-8(2)9-6-4-3-5-7-9;1-3-5-7-8-6-4-2;2*1-7-5-3-2-4-6-7;1-2;/h7-19H,1H2,2-6H3;3-7H,1H2,2H3;3-8H,1-2H3;2*2-6H,1H3;1-2H2;1H4/b;;5-3-,6-4+,8-7-;;;;
InChIKeyPLDJBUAHGCBHMS-FNGAGNOYSA-N
XLogP19.80
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms65
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500857.32
LogP ≤ 519.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze ethene;methane;1-methyl-2-[2-methyl-5-[4-methyl-3-(2-methylphenyl)phenyl]phenyl]-3-prop-1-en-2-ylbenzene;(2Z,4Z,6E)-octa-2,4,6-triene;prop-1-en-2-ylbenzene;toluene with MolForge

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Related Compounds

1-methyl-2-(2-methylphenyl)-4-(3-phenylphenyl)benzene
CID 143578929
N-[(1Z)-1,3-diphenylbuta-1,3-dienyl]-1-[2-[5-[8-[3-[2-[N-[(1Z)-1,3-diphenylbuta-1,3-dienyl]-C-methylcarbonimidoyl]-6-methylphenyl]-4-methylphenyl]dibenzothiophen-2-yl]-2-methylphenyl]-3-methylphenyl]ethanimine
CID 139418446
1,2-bis(prop-1-en-2-yl)benzene;toluene
CID 173384676
1-methyl-3-(2-prop-1-en-2-ylphenyl)benzene
CID 145437903
ethane;methane;1-methyl-2-(2-methylphenyl)-9H-fluorene;2-methyl-1-[1-[3-[4-[(2Z,4E,6Z)-octa-2,4,6-trien-4-yl]phenyl]phenyl]ethenyl]-4-phenylbenzene;2-methylprop-1-ene;toluene
CID 142394396
ethane;(3Z,5Z)-2-methylhepta-1,3,5-triene;toluene
CID 142426246
methane;1-methyl-4-(4-methylphenyl)-2-(2-phenylphenyl)benzene
CID 144583638
ethane;1-methyl-2-(2-methylphenyl)-4-[(E)-prop-1-enyl]benzene
CID 90727526
ethene;1-methyl-2-prop-1-en-2-ylbenzene
CID 142947701
1,2-diphenyl-3-prop-1-en-2-ylbenzene
CID 142394581
1,3-dimethyl-2-(4-methyl-3-phenylphenyl)benzene
CID 168751305
1-methyl-4-[2-methyl-3-(2-methylphenyl)phenyl]-2-(2-methylphenyl)benzene
CID 144952887

Frequently Asked Questions

What is the IUPAC name of ethene;methane;1-methyl-2-[2-methyl-5-[4-methyl-3-(2-methylphenyl)phenyl]phenyl]-3-prop-1-en-2-ylbenzene;(2Z,4Z,6E)-octa-2,4,6-triene;prop-1-en-2-ylbenzene;toluene?
The IUPAC name of ethene;methane;1-methyl-2-[2-methyl-5-[4-methyl-3-(2-methylphenyl)phenyl]phenyl]-3-prop-1-en-2-ylbenzene;(2Z,4Z,6E)-octa-2,4,6-triene;prop-1-en-2-ylbenzene;toluene (CID 145007178) is ethene;methane;1-methyl-2-[2-methyl-5-[4-methyl-3-(2-methylphenyl)phenyl]phenyl]-3-prop-1-en-2-ylbenzene;(2Z,4Z,6E)-octa-2,4,6-triene;prop-1-en-2-ylbenzene;toluene.
What is the SMILES notation for ethene;methane;1-methyl-2-[2-methyl-5-[4-methyl-3-(2-methylphenyl)phenyl]phenyl]-3-prop-1-en-2-ylbenzene;(2Z,4Z,6E)-octa-2,4,6-triene;prop-1-en-2-ylbenzene;toluene?
The canonical SMILES for ethene;methane;1-methyl-2-[2-methyl-5-[4-methyl-3-(2-methylphenyl)phenyl]phenyl]-3-prop-1-en-2-ylbenzene;(2Z,4Z,6E)-octa-2,4,6-triene;prop-1-en-2-ylbenzene;toluene is C.C/C=C\C=C/C=C/C.C=C.C=C(C)c1cccc(C)c1-c1cc(-c2ccc(C)c(-c3ccccc3C)c2)ccc1C.C=C(C)c1ccccc1.Cc1ccccc1.Cc1ccccc1.
What is the InChIKey of ethene;methane;1-methyl-2-[2-methyl-5-[4-methyl-3-(2-methylphenyl)phenyl]phenyl]-3-prop-1-en-2-ylbenzene;(2Z,4Z,6E)-octa-2,4,6-triene;prop-1-en-2-ylbenzene;toluene?
The InChIKey is PLDJBUAHGCBHMS-FNGAGNOYSA-N. The full InChI is InChI=1S/C31H30.C9H10.C8H12.2C7H8.C2H4.CH4/c1-20(2)27-13-9-11-24(6)31(27)30-19-26(17-15-23(30)5)25-16-14-22(4)29(18-25)28-12-8-7-10-21(28)3;1-8(2)9-6-4-3-5-7-9;1-3-5-7-8-6-4-2;2*1-7-5-3-2-4-6-7;1-2;/h7-19H,1H2,2-6H3;3-7H,1H2,2H3;3-8H,1-2H3;2*2-6H,1H3;1-2H2;1H4/b;;5-3-,6-4+,8-7-;;;;.
What are the key properties of ethene;methane;1-methyl-2-[2-methyl-5-[4-methyl-3-(2-methylphenyl)phenyl]phenyl]-3-prop-1-en-2-ylbenzene;(2Z,4Z,6E)-octa-2,4,6-triene;prop-1-en-2-ylbenzene;toluene?
ethene;methane;1-methyl-2-[2-methyl-5-[4-methyl-3-(2-methylphenyl)phenyl]phenyl]-3-prop-1-en-2-ylbenzene;(2Z,4Z,6E)-octa-2,4,6-triene;prop-1-en-2-ylbenzene;toluene has a molecular weight of 857.32 g/mol, XLogP of 19.80, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethene;methane;1-methyl-2-[2-methyl-5-[4-methyl-3-(2-methylphenyl)phenyl]phenyl]-3-prop-1-en-2-ylbenzene;(2Z,4Z,6E)-octa-2,4,6-triene;prop-1-en-2-ylbenzene;toluene is sourced from PubChem (CID 145007178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).