2-butyl-1-[2-(2-butyl-4,7-diethyl-1H-inden-1-yl)propan-2-yl]-4,7-diethyl-1H-indene

C37H52 — CID 139962907

IUPAC2-butyl-1-[2-(2-butyl-4,7-diethyl-1H-inden-1-yl)propan-2-yl]-4,7-diethyl-1H-indene
SMILESCCCCC1=Cc2c(CC)ccc(CC)c2C1C(C)(C)C1C(CCCC)=Cc2c(CC)ccc(CC)c21
InChIInChI=1S/C37H52/c1-9-15-17-29-23-31-25(11-3)19-21-27(13-5)33(31)35(29)37(7,8)36-30(18-16-10-2)24-32-26(12-4)20-22-28(14-6)34(32)36/h19-24,35-36H,9-18H2,1-8H3
InChIKeyFIJNGRMTOVRGEE-UHFFFAOYSA-N
MW496.82 g/mol
LogP11.00
Rot. Bonds12

About 2-butyl-1-[2-(2-butyl-4,7-diethyl-1H-inden-1-yl)propan-2-yl]-4,7-diethyl-1H-indene

2-butyl-1-[2-(2-butyl-4,7-diethyl-1H-inden-1-yl)propan-2-yl]-4,7-diethyl-1H-indene (PubChem CID 139962907) has the molecular formula C37H52 and a molecular weight of 496.82 g/mol. Its IUPAC name is 2-butyl-1-[2-(2-butyl-4,7-diethyl-1H-inden-1-yl)propan-2-yl]-4,7-diethyl-1H-indene.

Molecular Properties

Compound Name2-butyl-1-[2-(2-butyl-4,7-diethyl-1H-inden-1-yl)propan-2-yl]-4,7-diethyl-1H-indene
PubChem CID139962907
Molecular FormulaC37H52
Molecular Weight496.82 g/mol
Exact Mass496.41
IUPAC Name2-butyl-1-[2-(2-butyl-4,7-diethyl-1H-inden-1-yl)propan-2-yl]-4,7-diethyl-1H-indene
SMILESCCCCC1=Cc2c(CC)ccc(CC)c2C1C(C)(C)C1C(CCCC)=Cc2c(CC)ccc(CC)c21
InChIInChI=1S/C37H52/c1-9-15-17-29-23-31-25(11-3)19-21-27(13-5)33(31)35(29)37(7,8)36-30(18-16-10-2)24-32-26(12-4)20-22-28(14-6)34(32)36/h19-24,35-36H,9-18H2,1-8H3
InChIKeyFIJNGRMTOVRGEE-UHFFFAOYSA-N
XLogP11.00
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds12
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500496.82
LogP ≤ 511.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 2-butyl-1-[2-(2-butyl-4,7-diethyl-1H-inden-1-yl)propan-2-yl]-4,7-diethyl-1H-indene with MolForge

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Related Compounds

2,4,7-tripropyl-1-[2-(2,4,7-tripropyl-1H-inden-1-yl)propan-2-yl]-1H-indene
CID 139962869
2-pentyl-1-[2-(2-pentyl-1H-inden-1-yl)propan-2-yl]-1H-indene
CID 139962800
2-(2-methylpropyl)-1-[2-[2-(2-methylpropyl)-4-pentyl-1H-inden-1-yl]propan-2-yl]-4-pentyl-1H-indene
CID 139962811
1-butyl-4-ethyl-2,3-difluorobenzene
CID 139904703
1-[1-[2-(4-naphthalen-1-yl-2-propyl-1H-inden-1-yl)propan-2-yl]-2-propyl-1H-inden-4-yl]naphthalene
CID 139962865
1,2,3,4-tetrabutylbenzene
CID 11220391
tert-butyl 5-amino-2-butylbenzoate
CID 174706198
1-butyl-2-chloro-3-ethylbenzene
CID 139904751
2-ethyl-1-[2-(2-ethyl-3-hexyl-1H-inden-1-yl)propan-2-yl]-3-hexyl-1H-indene
CID 139962852
3-butyl-4-ethyl-2-pentylphenol
CID 66866292
3-butyl-9-(4-tert-butylphenyl)-6,10,10-trimethyl-10-silatricyclo[5.2.1.04,8]deca-1(9),2,4(8),5-tetraene
CID 91222545
1,3-dibutyl-2-phenylbenzene
CID 15421912

Frequently Asked Questions

What is the IUPAC name of 2-butyl-1-[2-(2-butyl-4,7-diethyl-1H-inden-1-yl)propan-2-yl]-4,7-diethyl-1H-indene?
The IUPAC name of 2-butyl-1-[2-(2-butyl-4,7-diethyl-1H-inden-1-yl)propan-2-yl]-4,7-diethyl-1H-indene (CID 139962907) is 2-butyl-1-[2-(2-butyl-4,7-diethyl-1H-inden-1-yl)propan-2-yl]-4,7-diethyl-1H-indene.
What is the SMILES notation for 2-butyl-1-[2-(2-butyl-4,7-diethyl-1H-inden-1-yl)propan-2-yl]-4,7-diethyl-1H-indene?
The canonical SMILES for 2-butyl-1-[2-(2-butyl-4,7-diethyl-1H-inden-1-yl)propan-2-yl]-4,7-diethyl-1H-indene is CCCCC1=Cc2c(CC)ccc(CC)c2C1C(C)(C)C1C(CCCC)=Cc2c(CC)ccc(CC)c21.
What is the InChIKey of 2-butyl-1-[2-(2-butyl-4,7-diethyl-1H-inden-1-yl)propan-2-yl]-4,7-diethyl-1H-indene?
The InChIKey is FIJNGRMTOVRGEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H52/c1-9-15-17-29-23-31-25(11-3)19-21-27(13-5)33(31)35(29)37(7,8)36-30(18-16-10-2)24-32-26(12-4)20-22-28(14-6)34(32)36/h19-24,35-36H,9-18H2,1-8H3.
What are the key properties of 2-butyl-1-[2-(2-butyl-4,7-diethyl-1H-inden-1-yl)propan-2-yl]-4,7-diethyl-1H-indene?
2-butyl-1-[2-(2-butyl-4,7-diethyl-1H-inden-1-yl)propan-2-yl]-4,7-diethyl-1H-indene has a molecular weight of 496.82 g/mol, XLogP of 11.00, 12 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyl-1-[2-(2-butyl-4,7-diethyl-1H-inden-1-yl)propan-2-yl]-4,7-diethyl-1H-indene is sourced from PubChem (CID 139962907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).