3-[furan-2-yl(indol-1-ium-3-ylidene)methyl]-1H-indole

C21H15N2O+ — CID 169426402

IUPAC3-[furan-2-yl(indol-1-ium-3-ylidene)methyl]-1H-indole
SMILESC1=[NH+]c2ccccc2C1=C(c1ccco1)c1c[nH]c2ccccc12
InChIInChI=1S/C21H14N2O/c1-3-8-18-14(6-1)16(12-22-18)21(20-10-5-11-24-20)17-13-23-19-9-4-2-7-15(17)19/h1-13,22H/p+1
InChIKeyCKHRXHUETKVFEG-UHFFFAOYSA-O
MW311.36 g/mol
LogP3.52
Rot. Bonds2

About 3-[furan-2-yl(indol-1-ium-3-ylidene)methyl]-1H-indole

3-[furan-2-yl(indol-1-ium-3-ylidene)methyl]-1H-indole (PubChem CID 169426402) has the molecular formula C21H15N2O+ and a molecular weight of 311.36 g/mol. Its IUPAC name is 3-[furan-2-yl(indol-1-ium-3-ylidene)methyl]-1H-indole.

Molecular Properties

Compound Name3-[furan-2-yl(indol-1-ium-3-ylidene)methyl]-1H-indole
PubChem CID169426402
Molecular FormulaC21H15N2O+
Molecular Weight311.36 g/mol
Exact Mass311.12
IUPAC Name3-[furan-2-yl(indol-1-ium-3-ylidene)methyl]-1H-indole
SMILESC1=[NH+]c2ccccc2C1=C(c1ccco1)c1c[nH]c2ccccc12
InChIInChI=1S/C21H14N2O/c1-3-8-18-14(6-1)16(12-22-18)21(20-10-5-11-24-20)17-13-23-19-9-4-2-7-15(17)19/h1-13,22H/p+1
InChIKeyCKHRXHUETKVFEG-UHFFFAOYSA-O
XLogP3.52
TPSA42.90 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.36
LogP ≤ 53.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

Go 6983
CID 3499
Ketone, indol-3-yl p-methoxyphenyl (6CI,8CI)
CID 211017
4-(benzyloxy)-1H-indole-3-carbaldehyde
CID 7015846
5-Methoxyindole-3-carbaldehyde
CID 82758
5-(phenylmethoxy)-1H-indole-3-carbaldehyde
CID 81398
2-(1H-indol-3-yl)-N-(4-methoxyphenyl)-2-oxoacetamide
CID 5315108
2-(6-fluoro-1H-indol-3-yl)-N-(4-methoxyphenyl)-2-oxoacetamide
CID 16762233
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
6-Methoxy-1H-indole-3-carboxaldehyde
CID 907214
5-Benzyloxyindole-3-acetic acid
CID 96340
3-(1-benzofuran-3-yl)-4-(1-methyl-1H-indol-3-yl)-2,5-dihydro-1H-pyrrole-2,5-dione
CID 5327664

Frequently Asked Questions

What is the IUPAC name of 3-[furan-2-yl(indol-1-ium-3-ylidene)methyl]-1H-indole?
The IUPAC name of 3-[furan-2-yl(indol-1-ium-3-ylidene)methyl]-1H-indole (CID 169426402) is 3-[furan-2-yl(indol-1-ium-3-ylidene)methyl]-1H-indole.
What is the SMILES notation for 3-[furan-2-yl(indol-1-ium-3-ylidene)methyl]-1H-indole?
The canonical SMILES for 3-[furan-2-yl(indol-1-ium-3-ylidene)methyl]-1H-indole is C1=[NH+]c2ccccc2C1=C(c1ccco1)c1c[nH]c2ccccc12.
What is the InChIKey of 3-[furan-2-yl(indol-1-ium-3-ylidene)methyl]-1H-indole?
The InChIKey is CKHRXHUETKVFEG-UHFFFAOYSA-O. The full InChI is InChI=1S/C21H14N2O/c1-3-8-18-14(6-1)16(12-22-18)21(20-10-5-11-24-20)17-13-23-19-9-4-2-7-15(17)19/h1-13,22H/p+1.
What are the key properties of 3-[furan-2-yl(indol-1-ium-3-ylidene)methyl]-1H-indole?
3-[furan-2-yl(indol-1-ium-3-ylidene)methyl]-1H-indole has a molecular weight of 311.36 g/mol, XLogP of 3.52, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[furan-2-yl(indol-1-ium-3-ylidene)methyl]-1H-indole is sourced from PubChem (CID 169426402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).