butan-2-ylbenzene;2-cyclobutyl-1-(2-methylcyclohexa-1,3-dien-1-yl)-3-(4-methylcyclohexa-1,5-dien-1-yl)benzene;ethane;3-[4-methyl-3-(2-methylphenyl)phenyl]-9-propyl-9H-fluorene

C66H76 — CID 145306499

IUPACbutan-2-ylbenzene;2-cyclobutyl-1-(2-methylcyclohexa-1,3-dien-1-yl)-3-(4-methylcyclohexa-1,5-dien-1-yl)benzene;ethane;3-[4-methyl-3-(2-methylphenyl)phenyl]-9-propyl-9H-fluorene
SMILESCC.CC1=C(c2cccc(C3=CCC(C)C=C3)c2C2CCC2)CCC=C1.CCC(C)c1ccccc1.CCCC1c2ccccc2-c2cc(-c3ccc(C)c(-c4ccccc4C)c3)ccc21
InChIInChI=1S/C30H28.C24H28.C10H14.C2H6/c1-4-9-25-26-12-7-8-13-27(26)30-19-23(16-17-28(25)30)22-15-14-21(3)29(18-22)24-11-6-5-10-20(24)2;1-17-13-15-19(16-14-17)22-11-6-12-23(24(22)20-8-5-9-20)21-10-4-3-7-18(21)2;1-3-9(2)10-7-5-4-6-8-10;1-2/h5-8,10-19,25H,4,9H2,1-3H3;3,6-7,11-13,15-17,20H,4-5,8-10,14H2,1-2H3;4-9H,3H2,1-2H3;1-2H3
InChIKeySEFWDCOQEUXXEU-UHFFFAOYSA-N
MW869.33 g/mol
LogP19.83
Rot. Bonds9

About butan-2-ylbenzene;2-cyclobutyl-1-(2-methylcyclohexa-1,3-dien-1-yl)-3-(4-methylcyclohexa-1,5-dien-1-yl)benzene;ethane;3-[4-methyl-3-(2-methylphenyl)phenyl]-9-propyl-9H-fluorene

butan-2-ylbenzene;2-cyclobutyl-1-(2-methylcyclohexa-1,3-dien-1-yl)-3-(4-methylcyclohexa-1,5-dien-1-yl)benzene;ethane;3-[4-methyl-3-(2-methylphenyl)phenyl]-9-propyl-9H-fluorene (PubChem CID 145306499) has the molecular formula C66H76 and a molecular weight of 869.33 g/mol. Its IUPAC name is butan-2-ylbenzene;2-cyclobutyl-1-(2-methylcyclohexa-1,3-dien-1-yl)-3-(4-methylcyclohexa-1,5-dien-1-yl)benzene;ethane;3-[4-methyl-3-(2-methylphenyl)phenyl]-9-propyl-9H-fluorene.

Molecular Properties

Compound Namebutan-2-ylbenzene;2-cyclobutyl-1-(2-methylcyclohexa-1,3-dien-1-yl)-3-(4-methylcyclohexa-1,5-dien-1-yl)benzene;ethane;3-[4-methyl-3-(2-methylphenyl)phenyl]-9-propyl-9H-fluorene
PubChem CID145306499
Molecular FormulaC66H76
Molecular Weight869.33 g/mol
Exact Mass868.59
IUPAC Namebutan-2-ylbenzene;2-cyclobutyl-1-(2-methylcyclohexa-1,3-dien-1-yl)-3-(4-methylcyclohexa-1,5-dien-1-yl)benzene;ethane;3-[4-methyl-3-(2-methylphenyl)phenyl]-9-propyl-9H-fluorene
SMILESCC.CC1=C(c2cccc(C3=CCC(C)C=C3)c2C2CCC2)CCC=C1.CCC(C)c1ccccc1.CCCC1c2ccccc2-c2cc(-c3ccc(C)c(-c4ccccc4C)c3)ccc21
InChIInChI=1S/C30H28.C24H28.C10H14.C2H6/c1-4-9-25-26-12-7-8-13-27(26)30-19-23(16-17-28(25)30)22-15-14-21(3)29(18-22)24-11-6-5-10-20(24)2;1-17-13-15-19(16-14-17)22-11-6-12-23(24(22)20-8-5-9-20)21-10-4-3-7-18(21)2;1-3-9(2)10-7-5-4-6-8-10;1-2/h5-8,10-19,25H,4,9H2,1-3H3;3,6-7,11-13,15-17,20H,4-5,8-10,14H2,1-2H3;4-9H,3H2,1-2H3;1-2H3
InChIKeySEFWDCOQEUXXEU-UHFFFAOYSA-N
XLogP19.83
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds9
Heavy Atoms66
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500869.33
LogP ≤ 519.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze butan-2-ylbenzene;2-cyclobutyl-1-(2-methylcyclohexa-1,3-dien-1-yl)-3-(4-methylcyclohexa-1,5-dien-1-yl)benzene;ethane;3-[4-methyl-3-(2-methylphenyl)phenyl]-9-propyl-9H-fluorene with MolForge

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Related Compounds

1,4-dimethyl-2-[2-methyl-3-[5-(4-methylcyclohexa-1,5-dien-1-yl)-2-[2-methyl-3-(2-methylcyclohexa-1,3-dien-1-yl)phenyl]phenyl]phenyl]benzene
CID 145190096
1-methyl-2-(4-methylcyclohexa-1,5-dien-1-yl)benzene
CID 142604826
2-butan-2-yltriphenylene;8-methyl-4-[4-methyl-3-(2-methylphenyl)phenyl]tricyclo[9.4.0.02,7]pentadeca-1(15),2(7),3,5,11,13-hexaene;1-methyl-4-phenylbenzene
CID 156706376
2-butan-2-yl-9,9-dimethylfluorene;1-(2-cyclobutylcyclohexa-1,3-dien-1-yl)-2-methyl-3-(4-methylphenyl)benzene;1-methyl-4-[(2E,4E)-5-phenylhexa-2,4-dien-2-yl]benzene;propane
CID 143759679
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
2-[4-[4-methyl-3-[2-[2-(2-methylphenyl)phenyl]phenyl]phenyl]cyclohexa-2,4-dien-1-yl]-4,6-bis(4-phenylphenyl)pyrimidine
CID 130380039
1-[5-ethyl-6-(4-methylcyclohexa-1,5-dien-1-yl)-4-(2-methylphenyl)-2-pyridinyl]propan-1-one
CID 129109680
2-[3-(2-benzyl-6-cyclobutylphenyl)-4-methylphenyl]-9,9'-spirobi[fluorene];butan-2-ylhydrazine;1-cyclohexa-1,3-dien-1-yl-4-ethylbenzene;ethane
CID 177025227
1-(2,5-dimethylcyclohexa-1,3-dien-1-yl)-2-methylbenzene
CID 143793879
3-[2-(4-methylcyclohexa-1,5-dien-1-yl)phenyl]-6-[3-[2-[2-[3-[6-(2-phenylphenyl)pyridazin-3-yl]phenyl]phenyl]phenyl]phenyl]pyridazine
CID 170241522
1-methyl-2-(2-methylphenyl)-4-(3-phenylphenyl)benzene
CID 143578929
butane;ethane;4-hexan-2-yl-1-methyl-2-(2-methylphenyl)benzene
CID 145219671

Frequently Asked Questions

What is the IUPAC name of butan-2-ylbenzene;2-cyclobutyl-1-(2-methylcyclohexa-1,3-dien-1-yl)-3-(4-methylcyclohexa-1,5-dien-1-yl)benzene;ethane;3-[4-methyl-3-(2-methylphenyl)phenyl]-9-propyl-9H-fluorene?
The IUPAC name of butan-2-ylbenzene;2-cyclobutyl-1-(2-methylcyclohexa-1,3-dien-1-yl)-3-(4-methylcyclohexa-1,5-dien-1-yl)benzene;ethane;3-[4-methyl-3-(2-methylphenyl)phenyl]-9-propyl-9H-fluorene (CID 145306499) is butan-2-ylbenzene;2-cyclobutyl-1-(2-methylcyclohexa-1,3-dien-1-yl)-3-(4-methylcyclohexa-1,5-dien-1-yl)benzene;ethane;3-[4-methyl-3-(2-methylphenyl)phenyl]-9-propyl-9H-fluorene.
What is the SMILES notation for butan-2-ylbenzene;2-cyclobutyl-1-(2-methylcyclohexa-1,3-dien-1-yl)-3-(4-methylcyclohexa-1,5-dien-1-yl)benzene;ethane;3-[4-methyl-3-(2-methylphenyl)phenyl]-9-propyl-9H-fluorene?
The canonical SMILES for butan-2-ylbenzene;2-cyclobutyl-1-(2-methylcyclohexa-1,3-dien-1-yl)-3-(4-methylcyclohexa-1,5-dien-1-yl)benzene;ethane;3-[4-methyl-3-(2-methylphenyl)phenyl]-9-propyl-9H-fluorene is CC.CC1=C(c2cccc(C3=CCC(C)C=C3)c2C2CCC2)CCC=C1.CCC(C)c1ccccc1.CCCC1c2ccccc2-c2cc(-c3ccc(C)c(-c4ccccc4C)c3)ccc21.
What is the InChIKey of butan-2-ylbenzene;2-cyclobutyl-1-(2-methylcyclohexa-1,3-dien-1-yl)-3-(4-methylcyclohexa-1,5-dien-1-yl)benzene;ethane;3-[4-methyl-3-(2-methylphenyl)phenyl]-9-propyl-9H-fluorene?
The InChIKey is SEFWDCOQEUXXEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H28.C24H28.C10H14.C2H6/c1-4-9-25-26-12-7-8-13-27(26)30-19-23(16-17-28(25)30)22-15-14-21(3)29(18-22)24-11-6-5-10-20(24)2;1-17-13-15-19(16-14-17)22-11-6-12-23(24(22)20-8-5-9-20)21-10-4-3-7-18(21)2;1-3-9(2)10-7-5-4-6-8-10;1-2/h5-8,10-19,25H,4,9H2,1-3H3;3,6-7,11-13,15-17,20H,4-5,8-10,14H2,1-2H3;4-9H,3H2,1-2H3;1-2H3.
What are the key properties of butan-2-ylbenzene;2-cyclobutyl-1-(2-methylcyclohexa-1,3-dien-1-yl)-3-(4-methylcyclohexa-1,5-dien-1-yl)benzene;ethane;3-[4-methyl-3-(2-methylphenyl)phenyl]-9-propyl-9H-fluorene?
butan-2-ylbenzene;2-cyclobutyl-1-(2-methylcyclohexa-1,3-dien-1-yl)-3-(4-methylcyclohexa-1,5-dien-1-yl)benzene;ethane;3-[4-methyl-3-(2-methylphenyl)phenyl]-9-propyl-9H-fluorene has a molecular weight of 869.33 g/mol, XLogP of 19.83, 9 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for butan-2-ylbenzene;2-cyclobutyl-1-(2-methylcyclohexa-1,3-dien-1-yl)-3-(4-methylcyclohexa-1,5-dien-1-yl)benzene;ethane;3-[4-methyl-3-(2-methylphenyl)phenyl]-9-propyl-9H-fluorene is sourced from PubChem (CID 145306499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).