3-[3-[5-[3-(1H-indol-3-yl)pentan-3-yl]furan-2-yl]pentan-3-yl]-1H-indole

C30H34N2O — CID 102214192

IUPAC3-[3-[5-[3-(1H-indol-3-yl)pentan-3-yl]furan-2-yl]pentan-3-yl]-1H-indole
SMILESCCC(CC)(c1ccc(C(CC)(CC)c2c[nH]c3ccccc23)o1)c1c[nH]c2ccccc12
InChIInChI=1S/C30H34N2O/c1-5-29(6-2,23-19-31-25-15-11-9-13-21(23)25)27-17-18-28(33-27)30(7-3,8-4)24-20-32-26-16-12-10-14-22(24)26/h9-20,31-32H,5-8H2,1-4H3
InChIKeyWUXQGKOTRMPLHX-UHFFFAOYSA-N
MW438.62 g/mol
LogP8.45
Rot. Bonds8

About 3-[3-[5-[3-(1H-indol-3-yl)pentan-3-yl]furan-2-yl]pentan-3-yl]-1H-indole

3-[3-[5-[3-(1H-indol-3-yl)pentan-3-yl]furan-2-yl]pentan-3-yl]-1H-indole (PubChem CID 102214192) has the molecular formula C30H34N2O and a molecular weight of 438.62 g/mol. Its IUPAC name is 3-[3-[5-[3-(1H-indol-3-yl)pentan-3-yl]furan-2-yl]pentan-3-yl]-1H-indole.

Molecular Properties

Compound Name3-[3-[5-[3-(1H-indol-3-yl)pentan-3-yl]furan-2-yl]pentan-3-yl]-1H-indole
PubChem CID102214192
Molecular FormulaC30H34N2O
Molecular Weight438.62 g/mol
Exact Mass438.27
IUPAC Name3-[3-[5-[3-(1H-indol-3-yl)pentan-3-yl]furan-2-yl]pentan-3-yl]-1H-indole
SMILESCCC(CC)(c1ccc(C(CC)(CC)c2c[nH]c3ccccc23)o1)c1c[nH]c2ccccc12
InChIInChI=1S/C30H34N2O/c1-5-29(6-2,23-19-31-25-15-11-9-13-21(23)25)27-17-18-28(33-27)30(7-3,8-4)24-20-32-26-16-12-10-14-22(24)26/h9-20,31-32H,5-8H2,1-4H3
InChIKeyWUXQGKOTRMPLHX-UHFFFAOYSA-N
XLogP8.45
TPSA44.72 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500438.62
LogP ≤ 58.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Analyze 3-[3-[5-[3-(1H-indol-3-yl)pentan-3-yl]furan-2-yl]pentan-3-yl]-1H-indole with MolForge

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Related Compounds

Go 6983
CID 3499
5-methoxy-3-[N-(4-(4-fluoro-phenyl)-4-oxo-butyl)-1,2,5,6-tetrahydro-pyridin-3-ylmethyl]-1H-indole
CID 9866050
3-[1-(furan-2-yl)-2-nitroethyl]-2-phenyl-1H-indole
CID 3385437
3-(1-benzofuran-3-yl)-4-(1-methyl-1H-indol-3-yl)-2,5-dihydro-1H-pyrrole-2,5-dione
CID 5327664
3-(5-methoxy-1-methyl-1H-indol-3-yl)-4-(1-methyl-1H-indol-3-yl)-2,5-dihydro-1H-pyrrole-2,5-dione
CID 5327674
Bis(1H-2-indolyl)methanone 45
CID 5330541
furan-2-yl(1H-indol-3-yl)methanone
CID 958611
3-(furan-3-yl)-1H-indole
CID 10607518
(3Z)-5-(5-{[(2S)-2-amino-3-(1H-indol-3-yl)propyl]oxy}pyridin-3-yl)-3-(furan-2-ylmethylidene)-1,3-dihydro-2H-indol-2-one
CID 11751896
(3Z)-5-{5-[(2S)-2-amino-3-(1H-indol-3-yl)propoxy]pyridin-3-yl}-3-[(5-methylfuran-2-yl)methylidene]-2,3-dihydro-1H-indol-2-one
CID 23647568
N-[(4-ethoxyphenyl)methyl]-2-(1H-indol-3-yl)-N-methylacetamide
CID 2450324
1-(1H-Indol-3-ylcarbonyl)-N-(4-methoxybenzyl)formamide
CID 1588018

Frequently Asked Questions

What is the IUPAC name of 3-[3-[5-[3-(1H-indol-3-yl)pentan-3-yl]furan-2-yl]pentan-3-yl]-1H-indole?
The IUPAC name of 3-[3-[5-[3-(1H-indol-3-yl)pentan-3-yl]furan-2-yl]pentan-3-yl]-1H-indole (CID 102214192) is 3-[3-[5-[3-(1H-indol-3-yl)pentan-3-yl]furan-2-yl]pentan-3-yl]-1H-indole.
What is the SMILES notation for 3-[3-[5-[3-(1H-indol-3-yl)pentan-3-yl]furan-2-yl]pentan-3-yl]-1H-indole?
The canonical SMILES for 3-[3-[5-[3-(1H-indol-3-yl)pentan-3-yl]furan-2-yl]pentan-3-yl]-1H-indole is CCC(CC)(c1ccc(C(CC)(CC)c2c[nH]c3ccccc23)o1)c1c[nH]c2ccccc12.
What is the InChIKey of 3-[3-[5-[3-(1H-indol-3-yl)pentan-3-yl]furan-2-yl]pentan-3-yl]-1H-indole?
The InChIKey is WUXQGKOTRMPLHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H34N2O/c1-5-29(6-2,23-19-31-25-15-11-9-13-21(23)25)27-17-18-28(33-27)30(7-3,8-4)24-20-32-26-16-12-10-14-22(24)26/h9-20,31-32H,5-8H2,1-4H3.
What are the key properties of 3-[3-[5-[3-(1H-indol-3-yl)pentan-3-yl]furan-2-yl]pentan-3-yl]-1H-indole?
3-[3-[5-[3-(1H-indol-3-yl)pentan-3-yl]furan-2-yl]pentan-3-yl]-1H-indole has a molecular weight of 438.62 g/mol, XLogP of 8.45, 8 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[5-[3-(1H-indol-3-yl)pentan-3-yl]furan-2-yl]pentan-3-yl]-1H-indole is sourced from PubChem (CID 102214192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).