1,2-bis(ethenyl)-3,4,5-trimethyl-6-(4-methylphenyl)benzene;1-methyl-2-(2-methylphenyl)benzene;1-methyl-4-(4-methylphenyl)benzene;3,9,9-trimethylfluorene

C64H66 — CID 144810256

IUPAC1,2-bis(ethenyl)-3,4,5-trimethyl-6-(4-methylphenyl)benzene;1-methyl-2-(2-methylphenyl)benzene;1-methyl-4-(4-methylphenyl)benzene;3,9,9-trimethylfluorene
SMILESC=Cc1c(C)c(C)c(C)c(-c2ccc(C)cc2)c1C=C.Cc1ccc(-c2ccc(C)cc2)cc1.Cc1ccc2c(c1)-c1ccccc1C2(C)C.Cc1ccccc1-c1ccccc1C
InChIInChI=1S/C20H22.C16H16.2C14H14/c1-7-18-15(5)14(4)16(6)20(19(18)8-2)17-11-9-13(3)10-12-17;1-11-8-9-15-13(10-11)12-6-4-5-7-14(12)16(15,2)3;1-11-3-7-13(8-4-11)14-9-5-12(2)6-10-14;1-11-7-3-5-9-13(11)14-10-6-4-8-12(14)2/h7-12H,1-2H2,3-6H3;4-10H,1-3H3;2*3-10H,1-2H3
InChIKeyDIEQQELXPXNDFX-UHFFFAOYSA-N
MW835.23 g/mol
LogP18.12
Rot. Bonds5

About 1,2-bis(ethenyl)-3,4,5-trimethyl-6-(4-methylphenyl)benzene;1-methyl-2-(2-methylphenyl)benzene;1-methyl-4-(4-methylphenyl)benzene;3,9,9-trimethylfluorene

1,2-bis(ethenyl)-3,4,5-trimethyl-6-(4-methylphenyl)benzene;1-methyl-2-(2-methylphenyl)benzene;1-methyl-4-(4-methylphenyl)benzene;3,9,9-trimethylfluorene (PubChem CID 144810256) has the molecular formula C64H66 and a molecular weight of 835.23 g/mol. Its IUPAC name is 1,2-bis(ethenyl)-3,4,5-trimethyl-6-(4-methylphenyl)benzene;1-methyl-2-(2-methylphenyl)benzene;1-methyl-4-(4-methylphenyl)benzene;3,9,9-trimethylfluorene.

Molecular Properties

Compound Name1,2-bis(ethenyl)-3,4,5-trimethyl-6-(4-methylphenyl)benzene;1-methyl-2-(2-methylphenyl)benzene;1-methyl-4-(4-methylphenyl)benzene;3,9,9-trimethylfluorene
PubChem CID144810256
Molecular FormulaC64H66
Molecular Weight835.23 g/mol
Exact Mass834.52
IUPAC Name1,2-bis(ethenyl)-3,4,5-trimethyl-6-(4-methylphenyl)benzene;1-methyl-2-(2-methylphenyl)benzene;1-methyl-4-(4-methylphenyl)benzene;3,9,9-trimethylfluorene
SMILESC=Cc1c(C)c(C)c(C)c(-c2ccc(C)cc2)c1C=C.Cc1ccc(-c2ccc(C)cc2)cc1.Cc1ccc2c(c1)-c1ccccc1C2(C)C.Cc1ccccc1-c1ccccc1C
InChIInChI=1S/C20H22.C16H16.2C14H14/c1-7-18-15(5)14(4)16(6)20(19(18)8-2)17-11-9-13(3)10-12-17;1-11-8-9-15-13(10-11)12-6-4-5-7-14(12)16(15,2)3;1-11-3-7-13(8-4-11)14-9-5-12(2)6-10-14;1-11-7-3-5-9-13(11)14-10-6-4-8-12(14)2/h7-12H,1-2H2,3-6H3;4-10H,1-3H3;2*3-10H,1-2H3
InChIKeyDIEQQELXPXNDFX-UHFFFAOYSA-N
XLogP18.12
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500835.23
LogP ≤ 518.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 1,2-bis(ethenyl)-3,4,5-trimethyl-6-(4-methylphenyl)benzene;1-methyl-2-(2-methylphenyl)benzene;1-methyl-4-(4-methylphenyl)benzene;3,9,9-trimethylfluorene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-chloro-4-(4-phenylphenyl)benzene;3,9,9-trimethylfluorene
CID 156827027
9,9-dimethyl-3-[3-[4-(4-methylphenyl)phenyl]phenyl]fluorene
CID 156827523
9,9-dimethyl-N-[4-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]phenyl]-N-(4-methylphenyl)fluoren-3-amine
CID 71249366
9,9-dimethyl-1-(2-methylphenyl)fluorene;9,9-dimethyl-1-(3-methylphenyl)fluorene;9,9-dimethyl-3-(2-methylphenyl)fluorene;9,9-dimethyl-3-(3-methylphenyl)fluorene;9,9-dimethyl-3-(4-methylphenyl)fluorene;3,9,9-trimethyl-4-phenylfluorene
CID 157253194
6,6,12,12-tetramethyl-2-(4-methylphenyl)indeno[1,2-b]fluorene
CID 144585061
3-methyl-7-[4-methyl-3-(2-methylphenyl)phenyl]dibenzothiophene;toluene;3,9,9-trimethylfluorene
CID 144810372
ethane;6,6,12,12-tetramethyl-2-(4-methylphenyl)indeno[1,2-b]fluorene
CID 144585060
9,9-dimethyl-2-(3-methylphenyl)fluorene;9,9-dimethyl-2-(4-methylphenyl)fluorene;1,9,9-trimethylfluorene;3,9,9-trimethylfluorene;4,9,9-trimethylfluorene;1,9,9-trimethyl-7-phenylfluorene;6,9,9-trimethyl-2-phenylfluorene
CID 159835700
9,9-dimethyl-2-(2-methylphenyl)fluorene
CID 58389997
toluene;bis(1,9,9-trimethylfluorene);bis(2,9,9-trimethylfluorene);bis(3,9,9-trimethylfluorene);bis(4,9,9-trimethylfluorene)
CID 160789505
2-(6,9,9-trimethylfluoren-3-yl)phenol
CID 59317538
9,9-dimethyl-1-(2-methylphenyl)fluorene;9,9-dimethyl-1-(3-methylphenyl)fluorene;9,9-dimethyl-3-(2-methylphenyl)fluorene;9,9-dimethyl-3-(3-methylphenyl)fluorene;9,9-dimethyl-3-(4-methylphenyl)fluorene;2,9,9-trimethyl-5-phenylfluorene
CID 161175063

Frequently Asked Questions

What is the IUPAC name of 1,2-bis(ethenyl)-3,4,5-trimethyl-6-(4-methylphenyl)benzene;1-methyl-2-(2-methylphenyl)benzene;1-methyl-4-(4-methylphenyl)benzene;3,9,9-trimethylfluorene?
The IUPAC name of 1,2-bis(ethenyl)-3,4,5-trimethyl-6-(4-methylphenyl)benzene;1-methyl-2-(2-methylphenyl)benzene;1-methyl-4-(4-methylphenyl)benzene;3,9,9-trimethylfluorene (CID 144810256) is 1,2-bis(ethenyl)-3,4,5-trimethyl-6-(4-methylphenyl)benzene;1-methyl-2-(2-methylphenyl)benzene;1-methyl-4-(4-methylphenyl)benzene;3,9,9-trimethylfluorene.
What is the SMILES notation for 1,2-bis(ethenyl)-3,4,5-trimethyl-6-(4-methylphenyl)benzene;1-methyl-2-(2-methylphenyl)benzene;1-methyl-4-(4-methylphenyl)benzene;3,9,9-trimethylfluorene?
The canonical SMILES for 1,2-bis(ethenyl)-3,4,5-trimethyl-6-(4-methylphenyl)benzene;1-methyl-2-(2-methylphenyl)benzene;1-methyl-4-(4-methylphenyl)benzene;3,9,9-trimethylfluorene is C=Cc1c(C)c(C)c(C)c(-c2ccc(C)cc2)c1C=C.Cc1ccc(-c2ccc(C)cc2)cc1.Cc1ccc2c(c1)-c1ccccc1C2(C)C.Cc1ccccc1-c1ccccc1C.
What is the InChIKey of 1,2-bis(ethenyl)-3,4,5-trimethyl-6-(4-methylphenyl)benzene;1-methyl-2-(2-methylphenyl)benzene;1-methyl-4-(4-methylphenyl)benzene;3,9,9-trimethylfluorene?
The InChIKey is DIEQQELXPXNDFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22.C16H16.2C14H14/c1-7-18-15(5)14(4)16(6)20(19(18)8-2)17-11-9-13(3)10-12-17;1-11-8-9-15-13(10-11)12-6-4-5-7-14(12)16(15,2)3;1-11-3-7-13(8-4-11)14-9-5-12(2)6-10-14;1-11-7-3-5-9-13(11)14-10-6-4-8-12(14)2/h7-12H,1-2H2,3-6H3;4-10H,1-3H3;2*3-10H,1-2H3.
What are the key properties of 1,2-bis(ethenyl)-3,4,5-trimethyl-6-(4-methylphenyl)benzene;1-methyl-2-(2-methylphenyl)benzene;1-methyl-4-(4-methylphenyl)benzene;3,9,9-trimethylfluorene?
1,2-bis(ethenyl)-3,4,5-trimethyl-6-(4-methylphenyl)benzene;1-methyl-2-(2-methylphenyl)benzene;1-methyl-4-(4-methylphenyl)benzene;3,9,9-trimethylfluorene has a molecular weight of 835.23 g/mol, XLogP of 18.12, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-bis(ethenyl)-3,4,5-trimethyl-6-(4-methylphenyl)benzene;1-methyl-2-(2-methylphenyl)benzene;1-methyl-4-(4-methylphenyl)benzene;3,9,9-trimethylfluorene is sourced from PubChem (CID 144810256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).