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

C74H88 — CID 142394396

IUPACethane;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
SMILESC.C=C(C)C.C=C(c1cccc(-c2ccc(C(/C=C\C)=C/C=C\C)cc2)c1)c1ccc(-c2ccccc2)cc1C.CC.CC.CC.Cc1ccccc1.Cc1ccccc1-c1ccc2c(c1C)Cc1ccccc1-2
InChIInChI=1S/C35H32.C21H18.C7H8.C4H8.3C2H6.CH4/c1-5-7-13-28(12-6-2)30-18-20-31(21-19-30)33-17-11-16-32(25-33)27(4)35-23-22-34(24-26(35)3)29-14-9-8-10-15-29;1-14-7-3-5-9-17(14)18-11-12-20-19-10-6-4-8-16(19)13-21(20)15(18)2;1-7-5-3-2-4-6-7;1-4(2)3;3*1-2;/h5-25H,4H2,1-3H3;3-12H,13H2,1-2H3;2-6H,1H3;1H2,2-3H3;3*1-2H3;1H4/b7-5-,12-6-,28-13+;;;;;;;
InChIKeySZYVITUNXOEPQY-NONMCXAOSA-N
MW977.52 g/mol
LogP22.76
Rot. Bonds8

About 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

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 (PubChem CID 142394396) has the molecular formula C74H88 and a molecular weight of 977.52 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Nameethane;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
PubChem CID142394396
Molecular FormulaC74H88
Molecular Weight977.52 g/mol
Exact Mass976.69
IUPAC Nameethane;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
SMILESC.C=C(C)C.C=C(c1cccc(-c2ccc(C(/C=C\C)=C/C=C\C)cc2)c1)c1ccc(-c2ccccc2)cc1C.CC.CC.CC.Cc1ccccc1.Cc1ccccc1-c1ccc2c(c1C)Cc1ccccc1-2
InChIInChI=1S/C35H32.C21H18.C7H8.C4H8.3C2H6.CH4/c1-5-7-13-28(12-6-2)30-18-20-31(21-19-30)33-17-11-16-32(25-33)27(4)35-23-22-34(24-26(35)3)29-14-9-8-10-15-29;1-14-7-3-5-9-17(14)18-11-12-20-19-10-6-4-8-16(19)13-21(20)15(18)2;1-7-5-3-2-4-6-7;1-4(2)3;3*1-2;/h5-25H,4H2,1-3H3;3-12H,13H2,1-2H3;2-6H,1H3;1H2,2-3H3;3*1-2H3;1H4/b7-5-,12-6-,28-13+;;;;;;;
InChIKeySZYVITUNXOEPQY-NONMCXAOSA-N
XLogP22.76
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms74
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500977.52
LogP ≤ 522.76
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 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 with MolForge

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Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is C.C=C(C)C.C=C(c1cccc(-c2ccc(C(/C=C\C)=C/C=C\C)cc2)c1)c1ccc(-c2ccccc2)cc1C.CC.CC.CC.Cc1ccccc1.Cc1ccccc1-c1ccc2c(c1C)Cc1ccccc1-2.
What is the InChIKey of 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?
The InChIKey is SZYVITUNXOEPQY-NONMCXAOSA-N. The full InChI is InChI=1S/C35H32.C21H18.C7H8.C4H8.3C2H6.CH4/c1-5-7-13-28(12-6-2)30-18-20-31(21-19-30)33-17-11-16-32(25-33)27(4)35-23-22-34(24-26(35)3)29-14-9-8-10-15-29;1-14-7-3-5-9-17(14)18-11-12-20-19-10-6-4-8-16(19)13-21(20)15(18)2;1-7-5-3-2-4-6-7;1-4(2)3;3*1-2;/h5-25H,4H2,1-3H3;3-12H,13H2,1-2H3;2-6H,1H3;1H2,2-3H3;3*1-2H3;1H4/b7-5-,12-6-,28-13+;;;;;;;.
What are the key properties of 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?
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 has a molecular weight of 977.52 g/mol, XLogP of 22.76, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 142394396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).