ethane;1,2,3,4,5-pentamethyl-6-phenylbenzene

C27H50 — CID 91414507

IUPACethane;1,2,3,4,5-pentamethyl-6-phenylbenzene
SMILESCC.CC.CC.CC.CC.Cc1c(C)c(C)c(-c2ccccc2)c(C)c1C
InChIInChI=1S/C17H20.5C2H6/c1-11-12(2)14(4)17(15(5)13(11)3)16-9-7-6-8-10-16;5*1-2/h6-10H,1-5H3;5*1-2H3
InChIKeyRGXNYEIAWCMXKE-UHFFFAOYSA-N
MW374.70 g/mol
LogP10.03
Rot. Bonds1

About ethane;1,2,3,4,5-pentamethyl-6-phenylbenzene

ethane;1,2,3,4,5-pentamethyl-6-phenylbenzene (PubChem CID 91414507) has the molecular formula C27H50 and a molecular weight of 374.70 g/mol. Its IUPAC name is ethane;1,2,3,4,5-pentamethyl-6-phenylbenzene.

Molecular Properties

Compound Nameethane;1,2,3,4,5-pentamethyl-6-phenylbenzene
PubChem CID91414507
Molecular FormulaC27H50
Molecular Weight374.70 g/mol
Exact Mass374.39
IUPAC Nameethane;1,2,3,4,5-pentamethyl-6-phenylbenzene
SMILESCC.CC.CC.CC.CC.Cc1c(C)c(C)c(-c2ccccc2)c(C)c1C
InChIInChI=1S/C17H20.5C2H6/c1-11-12(2)14(4)17(15(5)13(11)3)16-9-7-6-8-10-16;5*1-2/h6-10H,1-5H3;5*1-2H3
InChIKeyRGXNYEIAWCMXKE-UHFFFAOYSA-N
XLogP10.03
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.70
LogP ≤ 510.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1,2,3,4,5,6,8-heptamethyl-7,9,10-triphenylanthracene
CID 59002262
2,3,5,6-tetramethyl-4-phenylpyrylium
CID 23254471
9,10-diphenylanthracene;ethane;9-methyl-10-phenylanthracene
CID 143856164
2,4-dimethyl-1,3,5-triphenylbenzene
CID 54408386
1-ethyl-2,3,4,5-tetramethyl-6-phenylbenzene
CID 140985823
3,5-dimethyl-2,4,6-triphenylpyridin-1-ium
CID 100929279
1,2,3,5-tetramethyl-4-phenylbenzene
CID 14973977
benzene;1,1'-biphenyl;ethane
CID 158550617
4,5,6,9,10,11,14,15,16-nonamethyl-3,17-diphenyl-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8(19),9,11,13(18),14,16-nonaene
CID 163458422
1,4-dimethyl-2,3-diphenylanthracene
CID 44632824
4-[4-(2,6-diphenyl-4-pyridinyl)-2,3,5,6-tetramethylphenyl]-2,6-diphenylpyridine
CID 58692905
3,4-dimethyl-2,5,6-triphenylphosphinine
CID 102048135

Frequently Asked Questions

What is the IUPAC name of ethane;1,2,3,4,5-pentamethyl-6-phenylbenzene?
The IUPAC name of ethane;1,2,3,4,5-pentamethyl-6-phenylbenzene (CID 91414507) is ethane;1,2,3,4,5-pentamethyl-6-phenylbenzene.
What is the SMILES notation for ethane;1,2,3,4,5-pentamethyl-6-phenylbenzene?
The canonical SMILES for ethane;1,2,3,4,5-pentamethyl-6-phenylbenzene is CC.CC.CC.CC.CC.Cc1c(C)c(C)c(-c2ccccc2)c(C)c1C.
What is the InChIKey of ethane;1,2,3,4,5-pentamethyl-6-phenylbenzene?
The InChIKey is RGXNYEIAWCMXKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20.5C2H6/c1-11-12(2)14(4)17(15(5)13(11)3)16-9-7-6-8-10-16;5*1-2/h6-10H,1-5H3;5*1-2H3.
What are the key properties of ethane;1,2,3,4,5-pentamethyl-6-phenylbenzene?
ethane;1,2,3,4,5-pentamethyl-6-phenylbenzene has a molecular weight of 374.70 g/mol, XLogP of 10.03, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1,2,3,4,5-pentamethyl-6-phenylbenzene is sourced from PubChem (CID 91414507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).