butane;10,19-dimethyltetracyclo[12.4.1.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene;ethane;2-methyl-1-(2-methylphenyl)-3-(4-methylphenyl)benzene;propane;3,9,9-trimethylfluorene

C67H78 — CID 144660685

IUPACbutane;10,19-dimethyltetracyclo[12.4.1.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene;ethane;2-methyl-1-(2-methylphenyl)-3-(4-methylphenyl)benzene;propane;3,9,9-trimethylfluorene
SMILESCC.CC1=C2C=CC=CC1c1ccc(C)cc1-c1ccccc12.CCC.CCCC.Cc1ccc(-c2cccc(-c3ccccc3C)c2C)cc1.Cc1ccc2c(c1)-c1ccccc1C2(C)C
InChIInChI=1S/C21H18.C21H20.C16H16.C4H10.C3H8.C2H6/c1-14-11-12-20-17-8-4-3-7-16(15(17)2)18-9-5-6-10-19(18)21(20)13-14;1-15-11-13-18(14-12-15)20-9-6-10-21(17(20)3)19-8-5-4-7-16(19)2;1-11-8-9-15-13(10-11)12-6-4-5-7-14(12)16(15,2)3;1-3-4-2;1-3-2;1-2/h3-13,17H,1-2H3;4-14H,1-3H3;4-10H,1-3H3;3-4H2,1-2H3;3H2,1-2H3;1-2H3
InChIKeySAWVGRRKUHCCQH-UHFFFAOYSA-N
MW883.36 g/mol
LogP20.15
Rot. Bonds3

About butane;10,19-dimethyltetracyclo[12.4.1.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene;ethane;2-methyl-1-(2-methylphenyl)-3-(4-methylphenyl)benzene;propane;3,9,9-trimethylfluorene

butane;10,19-dimethyltetracyclo[12.4.1.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene;ethane;2-methyl-1-(2-methylphenyl)-3-(4-methylphenyl)benzene;propane;3,9,9-trimethylfluorene (PubChem CID 144660685) has the molecular formula C67H78 and a molecular weight of 883.36 g/mol. Its IUPAC name is butane;10,19-dimethyltetracyclo[12.4.1.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene;ethane;2-methyl-1-(2-methylphenyl)-3-(4-methylphenyl)benzene;propane;3,9,9-trimethylfluorene.

Molecular Properties

Compound Namebutane;10,19-dimethyltetracyclo[12.4.1.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene;ethane;2-methyl-1-(2-methylphenyl)-3-(4-methylphenyl)benzene;propane;3,9,9-trimethylfluorene
PubChem CID144660685
Molecular FormulaC67H78
Molecular Weight883.36 g/mol
Exact Mass882.61
IUPAC Namebutane;10,19-dimethyltetracyclo[12.4.1.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene;ethane;2-methyl-1-(2-methylphenyl)-3-(4-methylphenyl)benzene;propane;3,9,9-trimethylfluorene
SMILESCC.CC1=C2C=CC=CC1c1ccc(C)cc1-c1ccccc12.CCC.CCCC.Cc1ccc(-c2cccc(-c3ccccc3C)c2C)cc1.Cc1ccc2c(c1)-c1ccccc1C2(C)C
InChIInChI=1S/C21H18.C21H20.C16H16.C4H10.C3H8.C2H6/c1-14-11-12-20-17-8-4-3-7-16(15(17)2)18-9-5-6-10-19(18)21(20)13-14;1-15-11-13-18(14-12-15)20-9-6-10-21(17(20)3)19-8-5-4-7-16(19)2;1-11-8-9-15-13(10-11)12-6-4-5-7-14(12)16(15,2)3;1-3-4-2;1-3-2;1-2/h3-13,17H,1-2H3;4-14H,1-3H3;4-10H,1-3H3;3-4H2,1-2H3;3H2,1-2H3;1-2H3
InChIKeySAWVGRRKUHCCQH-UHFFFAOYSA-N
XLogP20.15
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms67
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500883.36
LogP ≤ 520.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze butane;10,19-dimethyltetracyclo[12.4.1.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene;ethane;2-methyl-1-(2-methylphenyl)-3-(4-methylphenyl)benzene;propane;3,9,9-trimethylfluorene with MolForge

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Related Compounds

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
9,9-dimethyl-3-[3-[4-(4-methylphenyl)phenyl]phenyl]fluorene
CID 156827523
butane;1,4-dimethyl-2-(2-methylphenyl)benzene
CID 142975298
butane;7,7-dimethyl-11-[10-[2-methyl-3-(2-methylphenyl)phenyl]anthracen-9-yl]benzo[c]fluorene
CID 144802907
1-chloro-4-(4-phenylphenyl)benzene;3,9,9-trimethylfluorene
CID 156827027
ethane;1-ethyl-4-phenylbenzene;2,6,6,8,12,12-hexamethylindeno[1,2-b]fluorene;1-methyl-4-phenylbenzene;toluene;2,9,9-trimethylfluorene
CID 143843948
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
butane;but-1-ene;N-[4-(8H-cyclohepta[b][1]benzofuran-4-yl)phenyl]-N-[4-(9,9-dimethylfluoren-3-yl)phenyl]-2-methyl-3-[2-methyl-3-(2-methylphenyl)phenyl]aniline;ethane
CID 145354523
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-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

Frequently Asked Questions

What is the IUPAC name of butane;10,19-dimethyltetracyclo[12.4.1.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene;ethane;2-methyl-1-(2-methylphenyl)-3-(4-methylphenyl)benzene;propane;3,9,9-trimethylfluorene?
The IUPAC name of butane;10,19-dimethyltetracyclo[12.4.1.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene;ethane;2-methyl-1-(2-methylphenyl)-3-(4-methylphenyl)benzene;propane;3,9,9-trimethylfluorene (CID 144660685) is butane;10,19-dimethyltetracyclo[12.4.1.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene;ethane;2-methyl-1-(2-methylphenyl)-3-(4-methylphenyl)benzene;propane;3,9,9-trimethylfluorene.
What is the SMILES notation for butane;10,19-dimethyltetracyclo[12.4.1.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene;ethane;2-methyl-1-(2-methylphenyl)-3-(4-methylphenyl)benzene;propane;3,9,9-trimethylfluorene?
The canonical SMILES for butane;10,19-dimethyltetracyclo[12.4.1.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene;ethane;2-methyl-1-(2-methylphenyl)-3-(4-methylphenyl)benzene;propane;3,9,9-trimethylfluorene is CC.CC1=C2C=CC=CC1c1ccc(C)cc1-c1ccccc12.CCC.CCCC.Cc1ccc(-c2cccc(-c3ccccc3C)c2C)cc1.Cc1ccc2c(c1)-c1ccccc1C2(C)C.
What is the InChIKey of butane;10,19-dimethyltetracyclo[12.4.1.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene;ethane;2-methyl-1-(2-methylphenyl)-3-(4-methylphenyl)benzene;propane;3,9,9-trimethylfluorene?
The InChIKey is SAWVGRRKUHCCQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18.C21H20.C16H16.C4H10.C3H8.C2H6/c1-14-11-12-20-17-8-4-3-7-16(15(17)2)18-9-5-6-10-19(18)21(20)13-14;1-15-11-13-18(14-12-15)20-9-6-10-21(17(20)3)19-8-5-4-7-16(19)2;1-11-8-9-15-13(10-11)12-6-4-5-7-14(12)16(15,2)3;1-3-4-2;1-3-2;1-2/h3-13,17H,1-2H3;4-14H,1-3H3;4-10H,1-3H3;3-4H2,1-2H3;3H2,1-2H3;1-2H3.
What are the key properties of butane;10,19-dimethyltetracyclo[12.4.1.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene;ethane;2-methyl-1-(2-methylphenyl)-3-(4-methylphenyl)benzene;propane;3,9,9-trimethylfluorene?
butane;10,19-dimethyltetracyclo[12.4.1.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene;ethane;2-methyl-1-(2-methylphenyl)-3-(4-methylphenyl)benzene;propane;3,9,9-trimethylfluorene has a molecular weight of 883.36 g/mol, XLogP of 20.15, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for butane;10,19-dimethyltetracyclo[12.4.1.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene;ethane;2-methyl-1-(2-methylphenyl)-3-(4-methylphenyl)benzene;propane;3,9,9-trimethylfluorene is sourced from PubChem (CID 144660685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).