4-butyl-2-[1-[2-[2-(4-butylfuran-2-yl)-1H-inden-1-yl]propan-2-yl]-1H-inden-2-yl]furan

C37H40O2 — CID 139962705

IUPAC4-butyl-2-[1-[2-[2-(4-butylfuran-2-yl)-1H-inden-1-yl]propan-2-yl]-1H-inden-2-yl]furan
SMILESCCCCc1coc(C2=Cc3ccccc3C2C(C)(C)C2C(c3cc(CCCC)co3)=Cc3ccccc32)c1
InChIInChI=1S/C37H40O2/c1-5-7-13-25-19-33(38-23-25)31-21-27-15-9-11-17-29(27)35(31)37(3,4)36-30-18-12-10-16-28(30)22-32(36)34-20-26(24-39-34)14-8-6-2/h9-12,15-24,35-36H,5-8,13-14H2,1-4H3
InChIKeyGBWUHYTUQGHLSS-UHFFFAOYSA-N
MW516.73 g/mol
LogP10.56
Rot. Bonds10

About 4-butyl-2-[1-[2-[2-(4-butylfuran-2-yl)-1H-inden-1-yl]propan-2-yl]-1H-inden-2-yl]furan

4-butyl-2-[1-[2-[2-(4-butylfuran-2-yl)-1H-inden-1-yl]propan-2-yl]-1H-inden-2-yl]furan (PubChem CID 139962705) has the molecular formula C37H40O2 and a molecular weight of 516.73 g/mol. Its IUPAC name is 4-butyl-2-[1-[2-[2-(4-butylfuran-2-yl)-1H-inden-1-yl]propan-2-yl]-1H-inden-2-yl]furan.

Molecular Properties

Compound Name4-butyl-2-[1-[2-[2-(4-butylfuran-2-yl)-1H-inden-1-yl]propan-2-yl]-1H-inden-2-yl]furan
PubChem CID139962705
Molecular FormulaC37H40O2
Molecular Weight516.73 g/mol
Exact Mass516.30
IUPAC Name4-butyl-2-[1-[2-[2-(4-butylfuran-2-yl)-1H-inden-1-yl]propan-2-yl]-1H-inden-2-yl]furan
SMILESCCCCc1coc(C2=Cc3ccccc3C2C(C)(C)C2C(c3cc(CCCC)co3)=Cc3ccccc32)c1
InChIInChI=1S/C37H40O2/c1-5-7-13-25-19-33(38-23-25)31-21-27-15-9-11-17-29(27)35(31)37(3,4)36-30-18-12-10-16-28(30)22-32(36)34-20-26(24-39-34)14-8-6-2/h9-12,15-24,35-36H,5-8,13-14H2,1-4H3
InChIKeyGBWUHYTUQGHLSS-UHFFFAOYSA-N
XLogP10.56
TPSA26.28 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500516.73
LogP ≤ 510.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 4-butyl-2-[1-[2-[2-(4-butylfuran-2-yl)-1H-inden-1-yl]propan-2-yl]-1H-inden-2-yl]furan with MolForge

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Related Compounds

2-pentyl-1-[2-(2-pentyl-1H-inden-1-yl)propan-2-yl]-1H-indene
CID 139962800
4-propan-2-yl-2-[7-propan-2-yl-1-[2-[7-propan-2-yl-2-(4-propan-2-ylfuran-2-yl)-1H-inden-1-yl]propan-2-yl]-1H-inden-2-yl]furan
CID 139962844
1-tert-butyl-2-[(1-tert-butyl-1H-inden-2-yl)methyl]-1H-indene
CID 54456001
9-[2-(9H-fluoren-9-yl)propan-2-yl]-9H-fluorene
CID 22619280
2-pentyl-1-[2-(2-pentyl-3-propyl-1H-inden-1-yl)propan-2-yl]-3-propyl-1H-indene
CID 139962779
3-butyl-1-methoxy-1H-isochromene
CID 15544138
2-ethyl-1-[2-(2-ethyl-3-hexyl-1H-inden-1-yl)propan-2-yl]-3-hexyl-1H-indene
CID 139962852
1-decyl-2-phenyl-1H-indene
CID 91542453
1-heptyl-2-phenyl-1H-indene
CID 91113646
2-[1-[2-[2-(furan-2-yl)-4-phenyl-1H-inden-1-yl]propan-2-yl]-4-phenyl-1H-inden-2-yl]furan
CID 139962862
(3,5-dihexylphenyl)-(1,2-dihydroinden-2-id-1-yl)-dimethylsilane;titanium(4+);trichloride
CID 173384911
1,5-dibutyl-3-tert-butylbenzene
CID 140589363

Frequently Asked Questions

What is the IUPAC name of 4-butyl-2-[1-[2-[2-(4-butylfuran-2-yl)-1H-inden-1-yl]propan-2-yl]-1H-inden-2-yl]furan?
The IUPAC name of 4-butyl-2-[1-[2-[2-(4-butylfuran-2-yl)-1H-inden-1-yl]propan-2-yl]-1H-inden-2-yl]furan (CID 139962705) is 4-butyl-2-[1-[2-[2-(4-butylfuran-2-yl)-1H-inden-1-yl]propan-2-yl]-1H-inden-2-yl]furan.
What is the SMILES notation for 4-butyl-2-[1-[2-[2-(4-butylfuran-2-yl)-1H-inden-1-yl]propan-2-yl]-1H-inden-2-yl]furan?
The canonical SMILES for 4-butyl-2-[1-[2-[2-(4-butylfuran-2-yl)-1H-inden-1-yl]propan-2-yl]-1H-inden-2-yl]furan is CCCCc1coc(C2=Cc3ccccc3C2C(C)(C)C2C(c3cc(CCCC)co3)=Cc3ccccc32)c1.
What is the InChIKey of 4-butyl-2-[1-[2-[2-(4-butylfuran-2-yl)-1H-inden-1-yl]propan-2-yl]-1H-inden-2-yl]furan?
The InChIKey is GBWUHYTUQGHLSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H40O2/c1-5-7-13-25-19-33(38-23-25)31-21-27-15-9-11-17-29(27)35(31)37(3,4)36-30-18-12-10-16-28(30)22-32(36)34-20-26(24-39-34)14-8-6-2/h9-12,15-24,35-36H,5-8,13-14H2,1-4H3.
What are the key properties of 4-butyl-2-[1-[2-[2-(4-butylfuran-2-yl)-1H-inden-1-yl]propan-2-yl]-1H-inden-2-yl]furan?
4-butyl-2-[1-[2-[2-(4-butylfuran-2-yl)-1H-inden-1-yl]propan-2-yl]-1H-inden-2-yl]furan has a molecular weight of 516.73 g/mol, XLogP of 10.56, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butyl-2-[1-[2-[2-(4-butylfuran-2-yl)-1H-inden-1-yl]propan-2-yl]-1H-inden-2-yl]furan is sourced from PubChem (CID 139962705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).