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

C80H88 — CID 143843948

IUPACethane;1-ethyl-4-phenylbenzene;2,6,6,8,12,12-hexamethylindeno[1,2-b]fluorene;1-methyl-4-phenylbenzene;toluene;2,9,9-trimethylfluorene
SMILESCC.CC.CCc1ccc(-c2ccccc2)cc1.Cc1ccc(-c2ccccc2)cc1.Cc1ccc2c(c1)C(C)(C)c1cc3c(cc1-2)C(C)(C)c1cc(C)ccc1-3.Cc1ccc2c(c1)C(C)(C)c1ccccc1-2.Cc1ccccc1
InChIInChI=1S/C26H26.C16H16.C14H14.C13H12.C7H8.2C2H6/c1-15-7-9-17-19-13-24-20(14-23(19)25(3,4)21(17)11-15)18-10-8-16(2)12-22(18)26(24,5)6;1-11-8-9-13-12-6-4-5-7-14(12)16(2,3)15(13)10-11;1-2-12-8-10-14(11-9-12)13-6-4-3-5-7-13;1-11-7-9-13(10-8-11)12-5-3-2-4-6-12;1-7-5-3-2-4-6-7;2*1-2/h7-14H,1-6H3;4-10H,1-3H3;3-11H,2H2,1H3;2-10H,1H3;2-6H,1H3;2*1-2H3
InChIKeyDLAMLQUMPHZUCL-UHFFFAOYSA-N
MW1049.58 g/mol
LogP22.84
Rot. Bonds3

About 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

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 (PubChem CID 143843948) has the molecular formula C80H88 and a molecular weight of 1049.58 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Nameethane;1-ethyl-4-phenylbenzene;2,6,6,8,12,12-hexamethylindeno[1,2-b]fluorene;1-methyl-4-phenylbenzene;toluene;2,9,9-trimethylfluorene
PubChem CID143843948
Molecular FormulaC80H88
Molecular Weight1049.58 g/mol
Exact Mass1048.69
IUPAC Nameethane;1-ethyl-4-phenylbenzene;2,6,6,8,12,12-hexamethylindeno[1,2-b]fluorene;1-methyl-4-phenylbenzene;toluene;2,9,9-trimethylfluorene
SMILESCC.CC.CCc1ccc(-c2ccccc2)cc1.Cc1ccc(-c2ccccc2)cc1.Cc1ccc2c(c1)C(C)(C)c1cc3c(cc1-2)C(C)(C)c1cc(C)ccc1-3.Cc1ccc2c(c1)C(C)(C)c1ccccc1-2.Cc1ccccc1
InChIInChI=1S/C26H26.C16H16.C14H14.C13H12.C7H8.2C2H6/c1-15-7-9-17-19-13-24-20(14-23(19)25(3,4)21(17)11-15)18-10-8-16(2)12-22(18)26(24,5)6;1-11-8-9-13-12-6-4-5-7-14(12)16(2,3)15(13)10-11;1-2-12-8-10-14(11-9-12)13-6-4-3-5-7-13;1-11-7-9-13(10-8-11)12-5-3-2-4-6-12;1-7-5-3-2-4-6-7;2*1-2/h7-14H,1-6H3;4-10H,1-3H3;3-11H,2H2,1H3;2-10H,1H3;2-6H,1H3;2*1-2H3
InChIKeyDLAMLQUMPHZUCL-UHFFFAOYSA-N
XLogP22.84
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms80
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001049.58
LogP ≤ 522.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 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 with MolForge

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Related Compounds

ethane;6,6,12,12-tetramethyl-2-(4-methylphenyl)indeno[1,2-b]fluorene
CID 144585060
6,6,12,12-tetramethyl-2-(4-methylphenyl)indeno[1,2-b]fluorene
CID 144585061
9,9-dimethyl-2-(4-methylphenyl)fluorene;1-methyl-4-phenylbenzene;2,6,6,12,12-pentamethyl-7-phenylindeno[1,2-b]fluorene
CID 142541100
ethane;methane;2,9,9-trimethylfluorene
CID 144920604
2-ethyl-7,9,9-trimethylfluorene
CID 59167125
9,9-dimethyl-2-(3-methylphenyl)fluorene;ethane;methane
CID 144583357
9,9-dimethyl-N-(4-methylphenyl)-N-(4-phenylphenyl)fluoren-2-amine
CID 118146352
2-[(9,9-dimethylfluoren-2-yl)methyl]-9,9-dimethyl-7-phenylfluorene
CID 157190437
N-(9,9-dimethylfluoren-2-yl)-2-methyl-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-2'-amine
CID 118298490
anthracene;benzene;1,1'-biphenyl;hexakis(9,9-dimethylfluorene);ethane;naphthalene;toluene
CID 161069048
1-chloro-4-(4-phenylphenyl)benzene;3,9,9-trimethylfluorene
CID 156827027
N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-9,9-dimethyl-N-(3-methylphenyl)-7-(4-phenylphenyl)fluoren-2-amine;N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-9,9-dimethyl-N-(4-methylphenyl)-7-(4-phenylphenyl)fluoren-2-amine;N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-9,9-dimethyl-N-phenyl-7-(4-phenylphenyl)fluoren-2-amine
CID 162180969

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC.CC.CCc1ccc(-c2ccccc2)cc1.Cc1ccc(-c2ccccc2)cc1.Cc1ccc2c(c1)C(C)(C)c1cc3c(cc1-2)C(C)(C)c1cc(C)ccc1-3.Cc1ccc2c(c1)C(C)(C)c1ccccc1-2.Cc1ccccc1.
What is the InChIKey of 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?
The InChIKey is DLAMLQUMPHZUCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26.C16H16.C14H14.C13H12.C7H8.2C2H6/c1-15-7-9-17-19-13-24-20(14-23(19)25(3,4)21(17)11-15)18-10-8-16(2)12-22(18)26(24,5)6;1-11-8-9-13-12-6-4-5-7-14(12)16(2,3)15(13)10-11;1-2-12-8-10-14(11-9-12)13-6-4-3-5-7-13;1-11-7-9-13(10-8-11)12-5-3-2-4-6-12;1-7-5-3-2-4-6-7;2*1-2/h7-14H,1-6H3;4-10H,1-3H3;3-11H,2H2,1H3;2-10H,1H3;2-6H,1H3;2*1-2H3.
What are the key properties of 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?
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 has a molecular weight of 1049.58 g/mol, XLogP of 22.84, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 143843948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).