ethane;1-methyl-3-(4-methyl-4-prop-1-en-2-ylcyclohexa-1,5-dien-1-yl)benzene;7,9,9-trimethyl-6-(2-methylphenyl)-1,2-dihydrofluorene;1,2-xylene

C54H72 — CID 145050038

IUPACethane;1-methyl-3-(4-methyl-4-prop-1-en-2-ylcyclohexa-1,5-dien-1-yl)benzene;7,9,9-trimethyl-6-(2-methylphenyl)-1,2-dihydrofluorene;1,2-xylene
SMILESC=C(C)C1(C)C=CC(c2cccc(C)c2)=CC1.CC.CC.CC.Cc1ccccc1-c1cc2c(cc1C)C(C)(C)C1=C2C=CCC1.Cc1ccccc1C
InChIInChI=1S/C23H24.C17H20.C8H10.3C2H6/c1-15-9-5-6-10-17(15)19-14-20-18-11-7-8-12-21(18)23(3,4)22(20)13-16(19)2;1-13(2)17(4)10-8-15(9-11-17)16-7-5-6-14(3)12-16;1-7-5-3-4-6-8(7)2;3*1-2/h5-7,9-11,13-14H,8,12H2,1-4H3;5-10,12H,1,11H2,2-4H3;3-6H,1-2H3;3*1-2H3
InChIKeyGGTJDZSKVGLQHG-UHFFFAOYSA-N
MW721.17 g/mol
LogP16.67
Rot. Bonds3

About ethane;1-methyl-3-(4-methyl-4-prop-1-en-2-ylcyclohexa-1,5-dien-1-yl)benzene;7,9,9-trimethyl-6-(2-methylphenyl)-1,2-dihydrofluorene;1,2-xylene

ethane;1-methyl-3-(4-methyl-4-prop-1-en-2-ylcyclohexa-1,5-dien-1-yl)benzene;7,9,9-trimethyl-6-(2-methylphenyl)-1,2-dihydrofluorene;1,2-xylene (PubChem CID 145050038) has the molecular formula C54H72 and a molecular weight of 721.17 g/mol. Its IUPAC name is ethane;1-methyl-3-(4-methyl-4-prop-1-en-2-ylcyclohexa-1,5-dien-1-yl)benzene;7,9,9-trimethyl-6-(2-methylphenyl)-1,2-dihydrofluorene;1,2-xylene.

Molecular Properties

Compound Nameethane;1-methyl-3-(4-methyl-4-prop-1-en-2-ylcyclohexa-1,5-dien-1-yl)benzene;7,9,9-trimethyl-6-(2-methylphenyl)-1,2-dihydrofluorene;1,2-xylene
PubChem CID145050038
Molecular FormulaC54H72
Molecular Weight721.17 g/mol
Exact Mass720.56
IUPAC Nameethane;1-methyl-3-(4-methyl-4-prop-1-en-2-ylcyclohexa-1,5-dien-1-yl)benzene;7,9,9-trimethyl-6-(2-methylphenyl)-1,2-dihydrofluorene;1,2-xylene
SMILESC=C(C)C1(C)C=CC(c2cccc(C)c2)=CC1.CC.CC.CC.Cc1ccccc1-c1cc2c(cc1C)C(C)(C)C1=C2C=CCC1.Cc1ccccc1C
InChIInChI=1S/C23H24.C17H20.C8H10.3C2H6/c1-15-9-5-6-10-17(15)19-14-20-18-11-7-8-12-21(18)23(3,4)22(20)13-16(19)2;1-13(2)17(4)10-8-15(9-11-17)16-7-5-6-14(3)12-16;1-7-5-3-4-6-8(7)2;3*1-2/h5-7,9-11,13-14H,8,12H2,1-4H3;5-10,12H,1,11H2,2-4H3;3-6H,1-2H3;3*1-2H3
InChIKeyGGTJDZSKVGLQHG-UHFFFAOYSA-N
XLogP16.67
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500721.17
LogP ≤ 516.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze ethane;1-methyl-3-(4-methyl-4-prop-1-en-2-ylcyclohexa-1,5-dien-1-yl)benzene;7,9,9-trimethyl-6-(2-methylphenyl)-1,2-dihydrofluorene;1,2-xylene with MolForge

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Related Compounds

1-methyl-3-(4-methyl-4-prop-1-en-2-ylcyclohexa-1,5-dien-1-yl)benzene
CID 145050039
7,7-dimethyl-2-[2-methyl-3-[2-methyl-3-[4-methyl-3-(2,9,9-trimethylfluoren-3-yl)phenyl]phenyl]phenyl]-5-phenyl-8,9-dihydroindeno[2,1-b]carbazole
CID 144556739
2-(3-methylphenyl)-4,6-diphenyl-1,3,5-triazine;2,9,9-trimethyl-3-(2-methylphenyl)fluorene
CID 145324578
1-methyl-4-phenylbenzene;2-methyl-9,9'-spirobi[fluorene];6,9,9-trimethyl-1,2-dihydrofluorene
CID 178165621
7,7-dimethyl-5-[4-methyl-3-(2-methylphenyl)phenyl]-8,9-dihydroindeno[2,1-b]carbazole
CID 139418350
2,9-dimethyl-9-(3-methylcyclohepta-3,5-dien-1-yl)-3-(2,9,9-trimethyl-7,8-dihydrofluoren-3-yl)fluorene
CID 145007218
3-cyclohexa-1,5-dien-1-yl-7,9,9-trimethyl-1-phenylfluorene
CID 178165636
7,9,9-trimethyl-6-(2-methylphenyl)-2,3-dihydrofluorene
CID 145017109
2-cyclohepta-1,6-dien-1-yl-4-(4-methylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine;ethane;2,9,9-trimethyl-3-(2-propylphenyl)fluorene
CID 162363064
1-methyl-3-(2-methylcyclohexa-1,5-dien-1-yl)benzene
CID 145174438
7,7-dimethyl-5-(4-methylphenyl)-8,9-dihydroindeno[2,1-b]carbazole
CID 170390566
9,9-dimethyl-2-[4-methyl-3-(2-methylcyclohexa-1,5-dien-1-yl)phenyl]fluorene
CID 145212388

Frequently Asked Questions

What is the IUPAC name of ethane;1-methyl-3-(4-methyl-4-prop-1-en-2-ylcyclohexa-1,5-dien-1-yl)benzene;7,9,9-trimethyl-6-(2-methylphenyl)-1,2-dihydrofluorene;1,2-xylene?
The IUPAC name of ethane;1-methyl-3-(4-methyl-4-prop-1-en-2-ylcyclohexa-1,5-dien-1-yl)benzene;7,9,9-trimethyl-6-(2-methylphenyl)-1,2-dihydrofluorene;1,2-xylene (CID 145050038) is ethane;1-methyl-3-(4-methyl-4-prop-1-en-2-ylcyclohexa-1,5-dien-1-yl)benzene;7,9,9-trimethyl-6-(2-methylphenyl)-1,2-dihydrofluorene;1,2-xylene.
What is the SMILES notation for ethane;1-methyl-3-(4-methyl-4-prop-1-en-2-ylcyclohexa-1,5-dien-1-yl)benzene;7,9,9-trimethyl-6-(2-methylphenyl)-1,2-dihydrofluorene;1,2-xylene?
The canonical SMILES for ethane;1-methyl-3-(4-methyl-4-prop-1-en-2-ylcyclohexa-1,5-dien-1-yl)benzene;7,9,9-trimethyl-6-(2-methylphenyl)-1,2-dihydrofluorene;1,2-xylene is C=C(C)C1(C)C=CC(c2cccc(C)c2)=CC1.CC.CC.CC.Cc1ccccc1-c1cc2c(cc1C)C(C)(C)C1=C2C=CCC1.Cc1ccccc1C.
What is the InChIKey of ethane;1-methyl-3-(4-methyl-4-prop-1-en-2-ylcyclohexa-1,5-dien-1-yl)benzene;7,9,9-trimethyl-6-(2-methylphenyl)-1,2-dihydrofluorene;1,2-xylene?
The InChIKey is GGTJDZSKVGLQHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24.C17H20.C8H10.3C2H6/c1-15-9-5-6-10-17(15)19-14-20-18-11-7-8-12-21(18)23(3,4)22(20)13-16(19)2;1-13(2)17(4)10-8-15(9-11-17)16-7-5-6-14(3)12-16;1-7-5-3-4-6-8(7)2;3*1-2/h5-7,9-11,13-14H,8,12H2,1-4H3;5-10,12H,1,11H2,2-4H3;3-6H,1-2H3;3*1-2H3.
What are the key properties of ethane;1-methyl-3-(4-methyl-4-prop-1-en-2-ylcyclohexa-1,5-dien-1-yl)benzene;7,9,9-trimethyl-6-(2-methylphenyl)-1,2-dihydrofluorene;1,2-xylene?
ethane;1-methyl-3-(4-methyl-4-prop-1-en-2-ylcyclohexa-1,5-dien-1-yl)benzene;7,9,9-trimethyl-6-(2-methylphenyl)-1,2-dihydrofluorene;1,2-xylene has a molecular weight of 721.17 g/mol, XLogP of 16.67, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-methyl-3-(4-methyl-4-prop-1-en-2-ylcyclohexa-1,5-dien-1-yl)benzene;7,9,9-trimethyl-6-(2-methylphenyl)-1,2-dihydrofluorene;1,2-xylene is sourced from PubChem (CID 145050038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).