(3,7-diphenyl-1-propyloctyl)benzene;methane;7-phenyldecan-4-ylbenzene

C60H102 — CID 158364228

IUPAC(3,7-diphenyl-1-propyloctyl)benzene;methane;7-phenyldecan-4-ylbenzene
SMILESC.C.C.C.C.C.C.C.C.CCCC(CC(CCCC(C)c1ccccc1)c1ccccc1)c1ccccc1.CCCC(CCC(CCC)c1ccccc1)c1ccccc1
InChIInChI=1S/C29H36.C22H30.9CH4/c1-3-14-28(26-18-9-5-10-19-26)23-29(27-20-11-6-12-21-27)22-13-15-24(2)25-16-7-4-8-17-25;1-3-11-19(21-13-7-5-8-14-21)17-18-20(12-4-2)22-15-9-6-10-16-22;;;;;;;;;/h4-12,16-21,24,28-29H,3,13-15,22-23H2,1-2H3;5-10,13-16,19-20H,3-4,11-12,17-18H2,1-2H3;9*1H4
InChIKeyGTVGRQXKAKQIIT-UHFFFAOYSA-N
MW823.48 g/mol
LogP21.38
Rot. Bonds20

About (3,7-diphenyl-1-propyloctyl)benzene;methane;7-phenyldecan-4-ylbenzene

(3,7-diphenyl-1-propyloctyl)benzene;methane;7-phenyldecan-4-ylbenzene (PubChem CID 158364228) has the molecular formula C60H102 and a molecular weight of 823.48 g/mol. Its IUPAC name is (3,7-diphenyl-1-propyloctyl)benzene;methane;7-phenyldecan-4-ylbenzene.

Molecular Properties

Compound Name(3,7-diphenyl-1-propyloctyl)benzene;methane;7-phenyldecan-4-ylbenzene
PubChem CID158364228
Molecular FormulaC60H102
Molecular Weight823.48 g/mol
Exact Mass822.80
IUPAC Name(3,7-diphenyl-1-propyloctyl)benzene;methane;7-phenyldecan-4-ylbenzene
SMILESC.C.C.C.C.C.C.C.C.CCCC(CC(CCCC(C)c1ccccc1)c1ccccc1)c1ccccc1.CCCC(CCC(CCC)c1ccccc1)c1ccccc1
InChIInChI=1S/C29H36.C22H30.9CH4/c1-3-14-28(26-18-9-5-10-19-26)23-29(27-20-11-6-12-21-27)22-13-15-24(2)25-16-7-4-8-17-25;1-3-11-19(21-13-7-5-8-14-21)17-18-20(12-4-2)22-15-9-6-10-16-22;;;;;;;;;/h4-12,16-21,24,28-29H,3,13-15,22-23H2,1-2H3;5-10,13-16,19-20H,3-4,11-12,17-18H2,1-2H3;9*1H4
InChIKeyGTVGRQXKAKQIIT-UHFFFAOYSA-N
XLogP21.38
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds20
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500823.48
LogP ≤ 521.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

ethane;(1-ethyl-5-phenylhexyl)benzene
CID 154659485
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CID 21184937
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CID 17627
(1-ethyl-9-phenyldecyl)benzene
CID 154659486
4,6-diphenylnonane-1,1-diol
CID 162161241
(1-pentyl-3-phenylheptyl)benzene
CID 154153436
1,1-diphenylhexan-3-ylbenzene
CID 57087261
2-fluoroheptan-4-ylbenzene
CID 174378334
10-phenyltetradecan-5-ylbenzene
CID 22891787
[1-(2,4-diphenylbutyl)-3-phenylhexyl]benzene
CID 119080873
[(6R)-7-ethyl-6-methylnonan-4-yl]benzene
CID 153439336
hentriacontan-13-ylbenzene
CID 91306613

Frequently Asked Questions

What is the IUPAC name of (3,7-diphenyl-1-propyloctyl)benzene;methane;7-phenyldecan-4-ylbenzene?
The IUPAC name of (3,7-diphenyl-1-propyloctyl)benzene;methane;7-phenyldecan-4-ylbenzene (CID 158364228) is (3,7-diphenyl-1-propyloctyl)benzene;methane;7-phenyldecan-4-ylbenzene.
What is the SMILES notation for (3,7-diphenyl-1-propyloctyl)benzene;methane;7-phenyldecan-4-ylbenzene?
The canonical SMILES for (3,7-diphenyl-1-propyloctyl)benzene;methane;7-phenyldecan-4-ylbenzene is C.C.C.C.C.C.C.C.C.CCCC(CC(CCCC(C)c1ccccc1)c1ccccc1)c1ccccc1.CCCC(CCC(CCC)c1ccccc1)c1ccccc1.
What is the InChIKey of (3,7-diphenyl-1-propyloctyl)benzene;methane;7-phenyldecan-4-ylbenzene?
The InChIKey is GTVGRQXKAKQIIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H36.C22H30.9CH4/c1-3-14-28(26-18-9-5-10-19-26)23-29(27-20-11-6-12-21-27)22-13-15-24(2)25-16-7-4-8-17-25;1-3-11-19(21-13-7-5-8-14-21)17-18-20(12-4-2)22-15-9-6-10-16-22;;;;;;;;;/h4-12,16-21,24,28-29H,3,13-15,22-23H2,1-2H3;5-10,13-16,19-20H,3-4,11-12,17-18H2,1-2H3;9*1H4.
What are the key properties of (3,7-diphenyl-1-propyloctyl)benzene;methane;7-phenyldecan-4-ylbenzene?
(3,7-diphenyl-1-propyloctyl)benzene;methane;7-phenyldecan-4-ylbenzene has a molecular weight of 823.48 g/mol, XLogP of 21.38, 20 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (3,7-diphenyl-1-propyloctyl)benzene;methane;7-phenyldecan-4-ylbenzene is sourced from PubChem (CID 158364228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).