4-tert-butyl-2-(3-tert-butyl-3,6-dimethylcyclohexa-1,5-dien-1-yl)-1-methylbenzene;1-(2-ethenylphenyl)-2,3-dimethylbenzene;5,7,7,9-tetramethylbenzo[c]fluorene;1,4-xylene

C68H80 — CID 144612864

IUPAC4-tert-butyl-2-(3-tert-butyl-3,6-dimethylcyclohexa-1,5-dien-1-yl)-1-methylbenzene;1-(2-ethenylphenyl)-2,3-dimethylbenzene;5,7,7,9-tetramethylbenzo[c]fluorene;1,4-xylene
SMILESC=Cc1ccccc1-c1cccc(C)c1C.CC1=CCC(C)(C(C)(C)C)C=C1c1cc(C(C)(C)C)ccc1C.Cc1ccc(C)cc1.Cc1ccc2c(c1)C(C)(C)c1cc(C)c3ccccc3c1-2
InChIInChI=1S/C23H34.C21H20.C16H16.C8H10/c1-16-10-11-18(21(3,4)5)14-19(16)20-15-23(9,22(6,7)8)13-12-17(20)2;1-13-9-10-17-18(11-13)21(3,4)19-12-14(2)15-7-5-6-8-16(15)20(17)19;1-4-14-9-5-6-10-16(14)15-11-7-8-12(2)13(15)3;1-7-3-5-8(2)6-4-7/h10-12,14-15H,13H2,1-9H3;5-12H,1-4H3;4-11H,1H2,2-3H3;3-6H,1-2H3
InChIKeyYQAFHCVROYTIHK-UHFFFAOYSA-N
MW897.39 g/mol
LogP19.76
Rot. Bonds3

About 4-tert-butyl-2-(3-tert-butyl-3,6-dimethylcyclohexa-1,5-dien-1-yl)-1-methylbenzene;1-(2-ethenylphenyl)-2,3-dimethylbenzene;5,7,7,9-tetramethylbenzo[c]fluorene;1,4-xylene

4-tert-butyl-2-(3-tert-butyl-3,6-dimethylcyclohexa-1,5-dien-1-yl)-1-methylbenzene;1-(2-ethenylphenyl)-2,3-dimethylbenzene;5,7,7,9-tetramethylbenzo[c]fluorene;1,4-xylene (PubChem CID 144612864) has the molecular formula C68H80 and a molecular weight of 897.39 g/mol. Its IUPAC name is 4-tert-butyl-2-(3-tert-butyl-3,6-dimethylcyclohexa-1,5-dien-1-yl)-1-methylbenzene;1-(2-ethenylphenyl)-2,3-dimethylbenzene;5,7,7,9-tetramethylbenzo[c]fluorene;1,4-xylene.

Molecular Properties

Compound Name4-tert-butyl-2-(3-tert-butyl-3,6-dimethylcyclohexa-1,5-dien-1-yl)-1-methylbenzene;1-(2-ethenylphenyl)-2,3-dimethylbenzene;5,7,7,9-tetramethylbenzo[c]fluorene;1,4-xylene
PubChem CID144612864
Molecular FormulaC68H80
Molecular Weight897.39 g/mol
Exact Mass896.63
IUPAC Name4-tert-butyl-2-(3-tert-butyl-3,6-dimethylcyclohexa-1,5-dien-1-yl)-1-methylbenzene;1-(2-ethenylphenyl)-2,3-dimethylbenzene;5,7,7,9-tetramethylbenzo[c]fluorene;1,4-xylene
SMILESC=Cc1ccccc1-c1cccc(C)c1C.CC1=CCC(C)(C(C)(C)C)C=C1c1cc(C(C)(C)C)ccc1C.Cc1ccc(C)cc1.Cc1ccc2c(c1)C(C)(C)c1cc(C)c3ccccc3c1-2
InChIInChI=1S/C23H34.C21H20.C16H16.C8H10/c1-16-10-11-18(21(3,4)5)14-19(16)20-15-23(9,22(6,7)8)13-12-17(20)2;1-13-9-10-17-18(11-13)21(3,4)19-12-14(2)15-7-5-6-8-16(15)20(17)19;1-4-14-9-5-6-10-16(14)15-11-7-8-12(2)13(15)3;1-7-3-5-8(2)6-4-7/h10-12,14-15H,13H2,1-9H3;5-12H,1-4H3;4-11H,1H2,2-3H3;3-6H,1-2H3
InChIKeyYQAFHCVROYTIHK-UHFFFAOYSA-N
XLogP19.76
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms68
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500897.39
LogP ≤ 519.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 4-tert-butyl-2-(3-tert-butyl-3,6-dimethylcyclohexa-1,5-dien-1-yl)-1-methylbenzene;1-(2-ethenylphenyl)-2,3-dimethylbenzene;5,7,7,9-tetramethylbenzo[c]fluorene;1,4-xylene with MolForge

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Related Compounds

5,7,7,9-tetramethylbenzo[c]fluorene
CID 59595492
1,2-dimethyl-3-(2-methylphenyl)benzene;ethane;1-methyl-9H-fluorene;1-methyl-4-[(4-methylphenyl)methyl]benzene;5,7,7,9-tetramethylbenzo[c]fluorene
CID 144613590
2-(2,5-dimethylphenyl)-1,4-dimethylbenzene;ethane;2-ethenyl-5-methyl-3-[(Z)-prop-1-enyl]-1-benzothiophene;5,7,7,9-tetramethylbenzo[c]fluorene;toluene
CID 144613484
1,4-dimethyl-2-(2-methyl-5-phenylphenyl)benzene;3-methyl-3,9-dihydro-2H-fluorene;5,7,7,9-tetramethylbenzo[c]fluorene;toluene
CID 144613972
2,3-bis(ethenyl)-5-methyl-1-benzofuran;1-ethyl-2-(2-methylphenyl)benzene;5,7,7,9-tetramethylbenzo[c]fluorene;toluene
CID 144613327
2,7-ditert-butyl-9,9-dimethyl-4-[4-(4-methylphenyl)phenyl]fluorene
CID 58986962
2,7-ditert-butyl-4-[4-[4-(2,7-ditert-butyl-9,9-dimethylfluoren-4-yl)-3-methylphenyl]-2-methylphenyl]-9,9-dimethylfluorene
CID 58986915
2,7-ditert-butyl-9,9-dimethyl-4-[4-(2-phenylphenyl)phenyl]fluorene
CID 58986957
1,2-diethyl-3-(2-methylphenyl)benzene;1-(2-methylphenyl)-2,3-di(propan-2-yl)benzene;5,7,7,9-tetramethylbenzo[c]fluorene;toluene;1,3-xylene
CID 144613457
2,3-bis[7-[7-(2,7-ditert-butyl-9,9-dimethylfluoren-4-yl)-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]-6,7-dimethyl-9,9-bis(3-methylbutyl)fluorene;20-[7-[2-[7-(23,23-dimethyl-20-hexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17(22),18,20-dodecaenyl)-9,9-dimethylfluoren-2-yl]-6,7-dimethyl-9,9-bis(3-methylbutyl)fluoren-3-yl]-9,9-dimethylfluoren-2-yl]-23,23-dimethylhexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17(22),18,20-dodecaene;bis(23,23-dimethyl-20-(7,9,9-trimethylfluoren-2-yl)hexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17(22),18,20-dodecaene);2,3,6,7-tetrakis[7-(9,9-dimethylfluoren-4-yl)-9,9-dimethylfluoren-2-yl]-9,9-bis(3-methylbutyl)fluorene
CID 162186424
5-[10-(4-tert-butylphenyl)anthracen-9-yl]-7,7-dimethylbenzo[c]fluorene
CID 123566390
2,7-ditert-butyl-4-[4-(2,7-ditert-butyl-9,9-dimethylfluoren-4-yl)phenyl]-9,9-dimethylfluorene
CID 58986909

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-2-(3-tert-butyl-3,6-dimethylcyclohexa-1,5-dien-1-yl)-1-methylbenzene;1-(2-ethenylphenyl)-2,3-dimethylbenzene;5,7,7,9-tetramethylbenzo[c]fluorene;1,4-xylene?
The IUPAC name of 4-tert-butyl-2-(3-tert-butyl-3,6-dimethylcyclohexa-1,5-dien-1-yl)-1-methylbenzene;1-(2-ethenylphenyl)-2,3-dimethylbenzene;5,7,7,9-tetramethylbenzo[c]fluorene;1,4-xylene (CID 144612864) is 4-tert-butyl-2-(3-tert-butyl-3,6-dimethylcyclohexa-1,5-dien-1-yl)-1-methylbenzene;1-(2-ethenylphenyl)-2,3-dimethylbenzene;5,7,7,9-tetramethylbenzo[c]fluorene;1,4-xylene.
What is the SMILES notation for 4-tert-butyl-2-(3-tert-butyl-3,6-dimethylcyclohexa-1,5-dien-1-yl)-1-methylbenzene;1-(2-ethenylphenyl)-2,3-dimethylbenzene;5,7,7,9-tetramethylbenzo[c]fluorene;1,4-xylene?
The canonical SMILES for 4-tert-butyl-2-(3-tert-butyl-3,6-dimethylcyclohexa-1,5-dien-1-yl)-1-methylbenzene;1-(2-ethenylphenyl)-2,3-dimethylbenzene;5,7,7,9-tetramethylbenzo[c]fluorene;1,4-xylene is C=Cc1ccccc1-c1cccc(C)c1C.CC1=CCC(C)(C(C)(C)C)C=C1c1cc(C(C)(C)C)ccc1C.Cc1ccc(C)cc1.Cc1ccc2c(c1)C(C)(C)c1cc(C)c3ccccc3c1-2.
What is the InChIKey of 4-tert-butyl-2-(3-tert-butyl-3,6-dimethylcyclohexa-1,5-dien-1-yl)-1-methylbenzene;1-(2-ethenylphenyl)-2,3-dimethylbenzene;5,7,7,9-tetramethylbenzo[c]fluorene;1,4-xylene?
The InChIKey is YQAFHCVROYTIHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H34.C21H20.C16H16.C8H10/c1-16-10-11-18(21(3,4)5)14-19(16)20-15-23(9,22(6,7)8)13-12-17(20)2;1-13-9-10-17-18(11-13)21(3,4)19-12-14(2)15-7-5-6-8-16(15)20(17)19;1-4-14-9-5-6-10-16(14)15-11-7-8-12(2)13(15)3;1-7-3-5-8(2)6-4-7/h10-12,14-15H,13H2,1-9H3;5-12H,1-4H3;4-11H,1H2,2-3H3;3-6H,1-2H3.
What are the key properties of 4-tert-butyl-2-(3-tert-butyl-3,6-dimethylcyclohexa-1,5-dien-1-yl)-1-methylbenzene;1-(2-ethenylphenyl)-2,3-dimethylbenzene;5,7,7,9-tetramethylbenzo[c]fluorene;1,4-xylene?
4-tert-butyl-2-(3-tert-butyl-3,6-dimethylcyclohexa-1,5-dien-1-yl)-1-methylbenzene;1-(2-ethenylphenyl)-2,3-dimethylbenzene;5,7,7,9-tetramethylbenzo[c]fluorene;1,4-xylene has a molecular weight of 897.39 g/mol, XLogP of 19.76, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-2-(3-tert-butyl-3,6-dimethylcyclohexa-1,5-dien-1-yl)-1-methylbenzene;1-(2-ethenylphenyl)-2,3-dimethylbenzene;5,7,7,9-tetramethylbenzo[c]fluorene;1,4-xylene is sourced from PubChem (CID 144612864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).