1,1'-biphenyl;ethane;ethylbenzene;ethylcyclohexane;propane

C39H68 — CID 160751145

IUPAC1,1'-biphenyl;ethane;ethylbenzene;ethylcyclohexane;propane
SMILESCC.CC.CC.CC.CCC.CCC1CCCCC1.CCc1ccccc1.c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C12H10.C8H16.C8H10.C3H8.4C2H6/c1-3-7-11(8-4-1)12-9-5-2-6-10-12;2*1-2-8-6-4-3-5-7-8;1-3-2;4*1-2/h1-10H;8H,2-7H2,1H3;3-7H,2H2,1H3;3H2,1-2H3;4*1-2H3
InChIKeyRWVJBMXDFYHRFB-UHFFFAOYSA-N
MW536.97 g/mol
LogP14.10
Rot. Bonds3

About 1,1'-biphenyl;ethane;ethylbenzene;ethylcyclohexane;propane

1,1'-biphenyl;ethane;ethylbenzene;ethylcyclohexane;propane (PubChem CID 160751145) has the molecular formula C39H68 and a molecular weight of 536.97 g/mol. Its IUPAC name is 1,1'-biphenyl;ethane;ethylbenzene;ethylcyclohexane;propane.

Molecular Properties

Compound Name1,1'-biphenyl;ethane;ethylbenzene;ethylcyclohexane;propane
PubChem CID160751145
Molecular FormulaC39H68
Molecular Weight536.97 g/mol
Exact Mass536.53
IUPAC Name1,1'-biphenyl;ethane;ethylbenzene;ethylcyclohexane;propane
SMILESCC.CC.CC.CC.CCC.CCC1CCCCC1.CCc1ccccc1.c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C12H10.C8H16.C8H10.C3H8.4C2H6/c1-3-7-11(8-4-1)12-9-5-2-6-10-12;2*1-2-8-6-4-3-5-7-8;1-3-2;4*1-2/h1-10H;8H,2-7H2,1H3;3-7H,2H2,1H3;3H2,1-2H3;4*1-2H3
InChIKeyRWVJBMXDFYHRFB-UHFFFAOYSA-N
XLogP14.10
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500536.97
LogP ≤ 514.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

M-Terphenyl
CID 7076
Fenbutatin oxide
CID 16683004
p-Terphenyl
CID 7115
O-Terphenyl
CID 6766
Cyclohexylbenzene
CID 13229
Triphenylethylene
CID 6025
Tris(4-methylphenyl)stibine
CID 79371
Isopropylbiphenyl
CID 20259910
Benzenemethanethiol, alpha,alpha-diphenyl-
CID 77281
Benzene, 1,1',1'',1'''-(1,3-butadiene-1,4-diylidene)tetrakis-
CID 74060
Stibene, tri-o-tolyl-
CID 301718
Triphenylmethane
CID 10614

Frequently Asked Questions

What is the IUPAC name of 1,1'-biphenyl;ethane;ethylbenzene;ethylcyclohexane;propane?
The IUPAC name of 1,1'-biphenyl;ethane;ethylbenzene;ethylcyclohexane;propane (CID 160751145) is 1,1'-biphenyl;ethane;ethylbenzene;ethylcyclohexane;propane.
What is the SMILES notation for 1,1'-biphenyl;ethane;ethylbenzene;ethylcyclohexane;propane?
The canonical SMILES for 1,1'-biphenyl;ethane;ethylbenzene;ethylcyclohexane;propane is CC.CC.CC.CC.CCC.CCC1CCCCC1.CCc1ccccc1.c1ccc(-c2ccccc2)cc1.
What is the InChIKey of 1,1'-biphenyl;ethane;ethylbenzene;ethylcyclohexane;propane?
The InChIKey is RWVJBMXDFYHRFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10.C8H16.C8H10.C3H8.4C2H6/c1-3-7-11(8-4-1)12-9-5-2-6-10-12;2*1-2-8-6-4-3-5-7-8;1-3-2;4*1-2/h1-10H;8H,2-7H2,1H3;3-7H,2H2,1H3;3H2,1-2H3;4*1-2H3.
What are the key properties of 1,1'-biphenyl;ethane;ethylbenzene;ethylcyclohexane;propane?
1,1'-biphenyl;ethane;ethylbenzene;ethylcyclohexane;propane has a molecular weight of 536.97 g/mol, XLogP of 14.10, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1'-biphenyl;ethane;ethylbenzene;ethylcyclohexane;propane is sourced from PubChem (CID 160751145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).