2,6-dimethylcyclohexa-1,3-diene;2,7-dimethyl-4,4-diphenyl-2H-cyclopenta[a]indene;ethane;2-methyl-1-(2-methylphenyl)-4-[3-(2-methylphenyl)phenyl]benzene;3-methyl-2-[(1Z)-penta-1,4-dienyl]-1,1-diphenylindene

C92H94 — CID 144639850

IUPAC2,6-dimethylcyclohexa-1,3-diene;2,7-dimethyl-4,4-diphenyl-2H-cyclopenta[a]indene;ethane;2-methyl-1-(2-methylphenyl)-4-[3-(2-methylphenyl)phenyl]benzene;3-methyl-2-[(1Z)-penta-1,4-dienyl]-1,1-diphenylindene
SMILESC=CC/C=C\C1=C(C)c2ccccc2C1(c1ccccc1)c1ccccc1.CC.CC.CC1=CC(C)CC=C1.Cc1ccc2c(c1)C1=CC(C)C=C1C2(c1ccccc1)c1ccccc1.Cc1ccccc1-c1cccc(-c2ccc(-c3ccccc3C)c(C)c2)c1
InChIInChI=1S/2C27H24.C26H22.C8H12.2C2H6/c1-19-9-4-6-13-25(19)24-12-8-11-22(18-24)23-15-16-27(21(3)17-23)26-14-7-5-10-20(26)2;1-3-4-7-19-25-21(2)24-18-12-13-20-26(24)27(25,22-14-8-5-9-15-22)23-16-10-6-11-17-23;1-18-13-14-24-22(15-18)23-16-19(2)17-25(23)26(24,20-9-5-3-6-10-20)21-11-7-4-8-12-21;1-7-4-3-5-8(2)6-7;2*1-2/h4-18H,1-3H3;3,5-20H,1,4H2,2H3;3-17,19H,1-2H3;3-4,6,8H,5H2,1-2H3;2*1-2H3/b;19-7-;;;;
InChIKeyKJLJFBXLUQSENC-JXSHKJPNSA-N
MW1199.76 g/mol
LogP25.44
Rot. Bonds10

About 2,6-dimethylcyclohexa-1,3-diene;2,7-dimethyl-4,4-diphenyl-2H-cyclopenta[a]indene;ethane;2-methyl-1-(2-methylphenyl)-4-[3-(2-methylphenyl)phenyl]benzene;3-methyl-2-[(1Z)-penta-1,4-dienyl]-1,1-diphenylindene

2,6-dimethylcyclohexa-1,3-diene;2,7-dimethyl-4,4-diphenyl-2H-cyclopenta[a]indene;ethane;2-methyl-1-(2-methylphenyl)-4-[3-(2-methylphenyl)phenyl]benzene;3-methyl-2-[(1Z)-penta-1,4-dienyl]-1,1-diphenylindene (PubChem CID 144639850) has the molecular formula C92H94 and a molecular weight of 1199.76 g/mol. Its IUPAC name is 2,6-dimethylcyclohexa-1,3-diene;2,7-dimethyl-4,4-diphenyl-2H-cyclopenta[a]indene;ethane;2-methyl-1-(2-methylphenyl)-4-[3-(2-methylphenyl)phenyl]benzene;3-methyl-2-[(1Z)-penta-1,4-dienyl]-1,1-diphenylindene.

Molecular Properties

Compound Name2,6-dimethylcyclohexa-1,3-diene;2,7-dimethyl-4,4-diphenyl-2H-cyclopenta[a]indene;ethane;2-methyl-1-(2-methylphenyl)-4-[3-(2-methylphenyl)phenyl]benzene;3-methyl-2-[(1Z)-penta-1,4-dienyl]-1,1-diphenylindene
PubChem CID144639850
Molecular FormulaC92H94
Molecular Weight1199.76 g/mol
Exact Mass1198.74
IUPAC Name2,6-dimethylcyclohexa-1,3-diene;2,7-dimethyl-4,4-diphenyl-2H-cyclopenta[a]indene;ethane;2-methyl-1-(2-methylphenyl)-4-[3-(2-methylphenyl)phenyl]benzene;3-methyl-2-[(1Z)-penta-1,4-dienyl]-1,1-diphenylindene
SMILESC=CC/C=C\C1=C(C)c2ccccc2C1(c1ccccc1)c1ccccc1.CC.CC.CC1=CC(C)CC=C1.Cc1ccc2c(c1)C1=CC(C)C=C1C2(c1ccccc1)c1ccccc1.Cc1ccccc1-c1cccc(-c2ccc(-c3ccccc3C)c(C)c2)c1
InChIInChI=1S/2C27H24.C26H22.C8H12.2C2H6/c1-19-9-4-6-13-25(19)24-12-8-11-22(18-24)23-15-16-27(21(3)17-23)26-14-7-5-10-20(26)2;1-3-4-7-19-25-21(2)24-18-12-13-20-26(24)27(25,22-14-8-5-9-15-22)23-16-10-6-11-17-23;1-18-13-14-24-22(15-18)23-16-19(2)17-25(23)26(24,20-9-5-3-6-10-20)21-11-7-4-8-12-21;1-7-4-3-5-8(2)6-7;2*1-2/h4-18H,1-3H3;3,5-20H,1,4H2,2H3;3-17,19H,1-2H3;3-4,6,8H,5H2,1-2H3;2*1-2H3/b;19-7-;;;;
InChIKeyKJLJFBXLUQSENC-JXSHKJPNSA-N
XLogP25.44
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds10
Heavy Atoms92
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001199.76
LogP ≤ 525.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 2,6-dimethylcyclohexa-1,3-diene;2,7-dimethyl-4,4-diphenyl-2H-cyclopenta[a]indene;ethane;2-methyl-1-(2-methylphenyl)-4-[3-(2-methylphenyl)phenyl]benzene;3-methyl-2-[(1Z)-penta-1,4-dienyl]-1,1-diphenylindene with MolForge

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Related Compounds

3-(2-methylphenyl)-9,9-diphenylfluorene;3-[3-(2-methylphenyl)phenyl]-9,9-diphenylfluorene;3-[3-(3-methylphenyl)phenyl]-9,9-diphenylfluorene;3-[3-(4-methylphenyl)phenyl]-9,9-diphenylfluorene
CID 165031307
2-methyl-9,9-diphenylfluorene;1-(2-methylphenyl)naphthalene;1-(3-methylphenyl)naphthalene;2-(2-methylphenyl)naphthalene;2-(3-methylphenyl)naphthalene;2-(4-methylphenyl)naphthalene
CID 158548033
2-(2-methylphenyl)-9,9-diphenylfluorene;2-(4-methylphenyl)-9,9-diphenylfluorene;1-methyl-7,9,9-triphenylfluorene;2-methyl-7,9,9-triphenylfluorene;5-methyl-2,9,9-triphenylfluorene;6-methyl-2,9,9-triphenylfluorene
CID 159751131
3-methyl-5-(2-methylphenyl)-9,9-bis[3-(3-phenylphenyl)phenyl]fluorene
CID 164755543
4-[3-[3-[2-[[3-methyl-9-(3-methylcyclohexa-1,5-dien-1-yl)-9-phenyl-2,3-dihydrofluoren-2-yl]amino]phenyl]phenyl]phenyl]benzonitrile
CID 118675119
1-methyl-6-[3-(2-methyl-9-phenylfluoren-9-yl)phenyl]-9,9-diphenylfluorene
CID 144938931
3'-methyl-2-[(1Z,3Z)-penta-1,3-dienyl]-2'-penta-1,4-dienyl-1,1'-spirobi[indene]
CID 142961385
2-[(1Z)-buta-1,3-dienyl]-3-methyl-1,1-diphenylindene;ethane
CID 144939111
3-[3-[3-(3'-methyl-2'-prop-1-enylspiro[fluorene-9,1'-indene]-3-yl)phenyl]phenyl]-9,9'-spirobi[fluorene]
CID 123374086
1,3-bis(4-methylphenyl)benzene;1,4-bis(4-methylphenyl)benzene;ethane;1-methyl-2-(2-methylphenyl)benzene;1-methyl-2-(3-methylphenyl)benzene;1-methyl-2-(4-methylphenyl)benzene;1-methyl-3-(3-methylphenyl)benzene;1-methyl-3-(4-methylphenyl)benzene;1-methyl-4-(4-methylphenyl)benzene
CID 158847391
2-[(1Z)-buta-1,3-dienyl]-1-(4-ethylphenyl)-3-methyl-1-(4-methylphenyl)-6-phenylindene
CID 144938511
2-butan-2-yl-9,9-diphenylfluorene;ethane;1-methyl-2-(2-methylcyclohexa-1,5-dien-1-yl)benzene;1-methyl-3-(4-methylphenyl)benzene;1-methyl-4-phenylbenzene
CID 144810091

Frequently Asked Questions

What is the IUPAC name of 2,6-dimethylcyclohexa-1,3-diene;2,7-dimethyl-4,4-diphenyl-2H-cyclopenta[a]indene;ethane;2-methyl-1-(2-methylphenyl)-4-[3-(2-methylphenyl)phenyl]benzene;3-methyl-2-[(1Z)-penta-1,4-dienyl]-1,1-diphenylindene?
The IUPAC name of 2,6-dimethylcyclohexa-1,3-diene;2,7-dimethyl-4,4-diphenyl-2H-cyclopenta[a]indene;ethane;2-methyl-1-(2-methylphenyl)-4-[3-(2-methylphenyl)phenyl]benzene;3-methyl-2-[(1Z)-penta-1,4-dienyl]-1,1-diphenylindene (CID 144639850) is 2,6-dimethylcyclohexa-1,3-diene;2,7-dimethyl-4,4-diphenyl-2H-cyclopenta[a]indene;ethane;2-methyl-1-(2-methylphenyl)-4-[3-(2-methylphenyl)phenyl]benzene;3-methyl-2-[(1Z)-penta-1,4-dienyl]-1,1-diphenylindene.
What is the SMILES notation for 2,6-dimethylcyclohexa-1,3-diene;2,7-dimethyl-4,4-diphenyl-2H-cyclopenta[a]indene;ethane;2-methyl-1-(2-methylphenyl)-4-[3-(2-methylphenyl)phenyl]benzene;3-methyl-2-[(1Z)-penta-1,4-dienyl]-1,1-diphenylindene?
The canonical SMILES for 2,6-dimethylcyclohexa-1,3-diene;2,7-dimethyl-4,4-diphenyl-2H-cyclopenta[a]indene;ethane;2-methyl-1-(2-methylphenyl)-4-[3-(2-methylphenyl)phenyl]benzene;3-methyl-2-[(1Z)-penta-1,4-dienyl]-1,1-diphenylindene is C=CC/C=C\C1=C(C)c2ccccc2C1(c1ccccc1)c1ccccc1.CC.CC.CC1=CC(C)CC=C1.Cc1ccc2c(c1)C1=CC(C)C=C1C2(c1ccccc1)c1ccccc1.Cc1ccccc1-c1cccc(-c2ccc(-c3ccccc3C)c(C)c2)c1.
What is the InChIKey of 2,6-dimethylcyclohexa-1,3-diene;2,7-dimethyl-4,4-diphenyl-2H-cyclopenta[a]indene;ethane;2-methyl-1-(2-methylphenyl)-4-[3-(2-methylphenyl)phenyl]benzene;3-methyl-2-[(1Z)-penta-1,4-dienyl]-1,1-diphenylindene?
The InChIKey is KJLJFBXLUQSENC-JXSHKJPNSA-N. The full InChI is InChI=1S/2C27H24.C26H22.C8H12.2C2H6/c1-19-9-4-6-13-25(19)24-12-8-11-22(18-24)23-15-16-27(21(3)17-23)26-14-7-5-10-20(26)2;1-3-4-7-19-25-21(2)24-18-12-13-20-26(24)27(25,22-14-8-5-9-15-22)23-16-10-6-11-17-23;1-18-13-14-24-22(15-18)23-16-19(2)17-25(23)26(24,20-9-5-3-6-10-20)21-11-7-4-8-12-21;1-7-4-3-5-8(2)6-7;2*1-2/h4-18H,1-3H3;3,5-20H,1,4H2,2H3;3-17,19H,1-2H3;3-4,6,8H,5H2,1-2H3;2*1-2H3/b;19-7-;;;;.
What are the key properties of 2,6-dimethylcyclohexa-1,3-diene;2,7-dimethyl-4,4-diphenyl-2H-cyclopenta[a]indene;ethane;2-methyl-1-(2-methylphenyl)-4-[3-(2-methylphenyl)phenyl]benzene;3-methyl-2-[(1Z)-penta-1,4-dienyl]-1,1-diphenylindene?
2,6-dimethylcyclohexa-1,3-diene;2,7-dimethyl-4,4-diphenyl-2H-cyclopenta[a]indene;ethane;2-methyl-1-(2-methylphenyl)-4-[3-(2-methylphenyl)phenyl]benzene;3-methyl-2-[(1Z)-penta-1,4-dienyl]-1,1-diphenylindene has a molecular weight of 1199.76 g/mol, XLogP of 25.44, 10 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethylcyclohexa-1,3-diene;2,7-dimethyl-4,4-diphenyl-2H-cyclopenta[a]indene;ethane;2-methyl-1-(2-methylphenyl)-4-[3-(2-methylphenyl)phenyl]benzene;3-methyl-2-[(1Z)-penta-1,4-dienyl]-1,1-diphenylindene is sourced from PubChem (CID 144639850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).