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

C72H74 — CID 144810091

IUPAC2-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
SMILESCC.CC1=C(c2ccccc2C)C=CCC1.CCC(C)c1ccc2c(c1)C(c1ccccc1)(c1ccccc1)c1ccccc1-2.Cc1ccc(-c2cccc(C)c2)cc1.Cc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C29H26.C14H16.C14H14.C13H12.C2H6/c1-3-21(2)22-18-19-26-25-16-10-11-17-27(25)29(28(26)20-22,23-12-6-4-7-13-23)24-14-8-5-9-15-24;1-11-7-3-5-9-13(11)14-10-6-4-8-12(14)2;1-11-6-8-13(9-7-11)14-5-3-4-12(2)10-14;1-11-7-9-13(10-8-11)12-5-3-2-4-6-12;1-2/h4-21H,3H2,1-2H3;3,5-7,9-10H,4,8H2,1-2H3;3-10H,1-2H3;2-10H,1H3;1-2H3
InChIKeyGDFUWBRCZQZNDE-UHFFFAOYSA-N
MW939.38 g/mol
LogP20.34
Rot. Bonds7

About 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

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 (PubChem CID 144810091) has the molecular formula C72H74 and a molecular weight of 939.38 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2-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
PubChem CID144810091
Molecular FormulaC72H74
Molecular Weight939.38 g/mol
Exact Mass938.58
IUPAC Name2-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
SMILESCC.CC1=C(c2ccccc2C)C=CCC1.CCC(C)c1ccc2c(c1)C(c1ccccc1)(c1ccccc1)c1ccccc1-2.Cc1ccc(-c2cccc(C)c2)cc1.Cc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C29H26.C14H16.C14H14.C13H12.C2H6/c1-3-21(2)22-18-19-26-25-16-10-11-17-27(25)29(28(26)20-22,23-12-6-4-7-13-23)24-14-8-5-9-15-24;1-11-7-3-5-9-13(11)14-10-6-4-8-12(14)2;1-11-6-8-13(9-7-11)14-5-3-4-12(2)10-14;1-11-7-9-13(10-8-11)12-5-3-2-4-6-12;1-2/h4-21H,3H2,1-2H3;3,5-7,9-10H,4,8H2,1-2H3;3-10H,1-2H3;2-10H,1H3;1-2H3
InChIKeyGDFUWBRCZQZNDE-UHFFFAOYSA-N
XLogP20.34
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms72
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500939.38
LogP ≤ 520.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 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 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

9-(9,9-diphenyl-7,8-dihydrofluoren-2-yl)-9-(4-methylphenyl)fluorene
CID 145328119
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
1-butan-2-yl-2-methylbenzene;1-butyl-4-(4-methylphenyl)benzene;ethane;ethene;2-methyl-9,9-diphenylfluorene;2-methylhexane;toluene
CID 144741454
1-methyl-4-phenylbenzene;2-methyl-9,9'-spirobi[fluorene];6,9,9-trimethyl-1,2-dihydrofluorene
CID 178165621
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
9-(9,9-diphenyl-7,8-dihydrofluoren-3-yl)-2-(3-methylphenyl)carbazole;ethane;(4-methylcyclohexa-1,3-dien-1-yl)benzene;2-methyl-9,9'-spirobi[fluorene]
CID 144911495
2-methyl-9,9-diphenyl-7-(4-phenylphenyl)fluorene
CID 144950232
1-methyl-3-(2-methylcyclohexa-1,5-dien-1-yl)benzene
CID 145174438
9,9-dimethyl-2-[4-methyl-3-(2-methylcyclohexa-1,5-dien-1-yl)phenyl]fluorene
CID 145212388
4-butan-2-yl-1,2-bis[3-(3-methylphenyl)phenyl]benzene;1-methyl-3,5-bis[3-(3-methylphenyl)phenyl]benzene;2-methyl-1,4-bis[3-(3-methylphenyl)phenyl]benzene;1-methyl-3,5-bis[3-(3-methylphenyl)-5-phenylphenyl]benzene;1-methyl-3,5-bis[3-(4-methylphenyl)-5-phenylphenyl]benzene;1-[2-methyl-4-[3-(3-methylphenyl)-5-phenylphenyl]phenyl]-3-(3-methylphenyl)-5-phenylbenzene
CID 161054987
2-methylbutane;2-(4-methylphenyl)triphenylene;2-methyl-9,9'-spirobi[fluorene];1-methyltriphenylene
CID 145204027
4-(3-methylphenyl)-9,9-diphenylfluorene;9-(2-methylphenyl)-9-phenylfluorene;9-(3-methylphenyl)-9-phenylfluorene;9-(4-methylphenyl)-9-phenylfluorene;2-methyl-9-phenyl-9-(4-phenylphenyl)fluorene
CID 159810853

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC.CC1=C(c2ccccc2C)C=CCC1.CCC(C)c1ccc2c(c1)C(c1ccccc1)(c1ccccc1)c1ccccc1-2.Cc1ccc(-c2cccc(C)c2)cc1.Cc1ccc(-c2ccccc2)cc1.
What is the InChIKey of 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?
The InChIKey is GDFUWBRCZQZNDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H26.C14H16.C14H14.C13H12.C2H6/c1-3-21(2)22-18-19-26-25-16-10-11-17-27(25)29(28(26)20-22,23-12-6-4-7-13-23)24-14-8-5-9-15-24;1-11-7-3-5-9-13(11)14-10-6-4-8-12(14)2;1-11-6-8-13(9-7-11)14-5-3-4-12(2)10-14;1-11-7-9-13(10-8-11)12-5-3-2-4-6-12;1-2/h4-21H,3H2,1-2H3;3,5-7,9-10H,4,8H2,1-2H3;3-10H,1-2H3;2-10H,1H3;1-2H3.
What are the key properties of 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?
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 has a molecular weight of 939.38 g/mol, XLogP of 20.34, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 144810091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).