3-[[5-(furan-2-yl)-4-[4-[5-[5-(furan-2-yl)-2-[2-(1H-indol-3-yl)ethyl]-1H-imidazol-4-yl]furan-3-yl]furan-2-yl]-1H-imidazol-2-yl]methyl]-1H-indole

C41H30N6O4 — CID 126495257

IUPAC3-[[5-(furan-2-yl)-4-[4-[5-[5-(furan-2-yl)-2-[2-(1H-indol-3-yl)ethyl]-1H-imidazol-4-yl]furan-3-yl]furan-2-yl]-1H-imidazol-2-yl]methyl]-1H-indole
SMILESc1coc(-c2[nH]c(CCc3c[nH]c4ccccc34)nc2-c2cc(-c3coc(-c4nc(Cc5c[nH]c6ccccc56)[nH]c4-c4ccco4)c3)co2)c1
InChIInChI=1S/C41H30N6O4/c1-3-9-30-28(7-1)24(20-42-30)13-14-36-44-38(32-11-5-15-48-32)40(45-36)34-17-26(22-50-34)27-18-35(51-23-27)41-39(33-12-6-16-49-33)46-37(47-41)19-25-21-43-31-10-4-2-8-29(25)31/h1-12,15-18,20-23,42-43H,13-14,19H2,(H,44,45)(H,46,47)
InChIKeyRHAGAVVIKDWGAZ-UHFFFAOYSA-N
MW670.73 g/mol
LogP10.18
Rot. Bonds10

About 3-[[5-(furan-2-yl)-4-[4-[5-[5-(furan-2-yl)-2-[2-(1H-indol-3-yl)ethyl]-1H-imidazol-4-yl]furan-3-yl]furan-2-yl]-1H-imidazol-2-yl]methyl]-1H-indole

3-[[5-(furan-2-yl)-4-[4-[5-[5-(furan-2-yl)-2-[2-(1H-indol-3-yl)ethyl]-1H-imidazol-4-yl]furan-3-yl]furan-2-yl]-1H-imidazol-2-yl]methyl]-1H-indole (PubChem CID 126495257) has the molecular formula C41H30N6O4 and a molecular weight of 670.73 g/mol. Its IUPAC name is 3-[[5-(furan-2-yl)-4-[4-[5-[5-(furan-2-yl)-2-[2-(1H-indol-3-yl)ethyl]-1H-imidazol-4-yl]furan-3-yl]furan-2-yl]-1H-imidazol-2-yl]methyl]-1H-indole.

Molecular Properties

Compound Name3-[[5-(furan-2-yl)-4-[4-[5-[5-(furan-2-yl)-2-[2-(1H-indol-3-yl)ethyl]-1H-imidazol-4-yl]furan-3-yl]furan-2-yl]-1H-imidazol-2-yl]methyl]-1H-indole
PubChem CID126495257
Molecular FormulaC41H30N6O4
Molecular Weight670.73 g/mol
Exact Mass670.23
IUPAC Name3-[[5-(furan-2-yl)-4-[4-[5-[5-(furan-2-yl)-2-[2-(1H-indol-3-yl)ethyl]-1H-imidazol-4-yl]furan-3-yl]furan-2-yl]-1H-imidazol-2-yl]methyl]-1H-indole
SMILESc1coc(-c2[nH]c(CCc3c[nH]c4ccccc34)nc2-c2cc(-c3coc(-c4nc(Cc5c[nH]c6ccccc56)[nH]c4-c4ccco4)c3)co2)c1
InChIInChI=1S/C41H30N6O4/c1-3-9-30-28(7-1)24(20-42-30)13-14-36-44-38(32-11-5-15-48-32)40(45-36)34-17-26(22-50-34)27-18-35(51-23-27)41-39(33-12-6-16-49-33)46-37(47-41)19-25-21-43-31-10-4-2-8-29(25)31/h1-12,15-18,20-23,42-43H,13-14,19H2,(H,44,45)(H,46,47)
InChIKeyRHAGAVVIKDWGAZ-UHFFFAOYSA-N
XLogP10.18
TPSA141.50 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500670.73
LogP ≤ 510.18
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Analyze 3-[[5-(furan-2-yl)-4-[4-[5-[5-(furan-2-yl)-2-[2-(1H-indol-3-yl)ethyl]-1H-imidazol-4-yl]furan-3-yl]furan-2-yl]-1H-imidazol-2-yl]methyl]-1H-indole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-[[5-(furan-2-yl)-4-[4-[5-[5-(furan-2-yl)-2-[2-(1H-indol-3-yl)ethyl]-1H-imidazol-4-yl]furan-3-yl]furan-2-yl]-1H-imidazol-2-yl]methyl]-1H-indole?
The IUPAC name of 3-[[5-(furan-2-yl)-4-[4-[5-[5-(furan-2-yl)-2-[2-(1H-indol-3-yl)ethyl]-1H-imidazol-4-yl]furan-3-yl]furan-2-yl]-1H-imidazol-2-yl]methyl]-1H-indole (CID 126495257) is 3-[[5-(furan-2-yl)-4-[4-[5-[5-(furan-2-yl)-2-[2-(1H-indol-3-yl)ethyl]-1H-imidazol-4-yl]furan-3-yl]furan-2-yl]-1H-imidazol-2-yl]methyl]-1H-indole.
What is the SMILES notation for 3-[[5-(furan-2-yl)-4-[4-[5-[5-(furan-2-yl)-2-[2-(1H-indol-3-yl)ethyl]-1H-imidazol-4-yl]furan-3-yl]furan-2-yl]-1H-imidazol-2-yl]methyl]-1H-indole?
The canonical SMILES for 3-[[5-(furan-2-yl)-4-[4-[5-[5-(furan-2-yl)-2-[2-(1H-indol-3-yl)ethyl]-1H-imidazol-4-yl]furan-3-yl]furan-2-yl]-1H-imidazol-2-yl]methyl]-1H-indole is c1coc(-c2[nH]c(CCc3c[nH]c4ccccc34)nc2-c2cc(-c3coc(-c4nc(Cc5c[nH]c6ccccc56)[nH]c4-c4ccco4)c3)co2)c1.
What is the InChIKey of 3-[[5-(furan-2-yl)-4-[4-[5-[5-(furan-2-yl)-2-[2-(1H-indol-3-yl)ethyl]-1H-imidazol-4-yl]furan-3-yl]furan-2-yl]-1H-imidazol-2-yl]methyl]-1H-indole?
The InChIKey is RHAGAVVIKDWGAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H30N6O4/c1-3-9-30-28(7-1)24(20-42-30)13-14-36-44-38(32-11-5-15-48-32)40(45-36)34-17-26(22-50-34)27-18-35(51-23-27)41-39(33-12-6-16-49-33)46-37(47-41)19-25-21-43-31-10-4-2-8-29(25)31/h1-12,15-18,20-23,42-43H,13-14,19H2,(H,44,45)(H,46,47).
What are the key properties of 3-[[5-(furan-2-yl)-4-[4-[5-[5-(furan-2-yl)-2-[2-(1H-indol-3-yl)ethyl]-1H-imidazol-4-yl]furan-3-yl]furan-2-yl]-1H-imidazol-2-yl]methyl]-1H-indole?
3-[[5-(furan-2-yl)-4-[4-[5-[5-(furan-2-yl)-2-[2-(1H-indol-3-yl)ethyl]-1H-imidazol-4-yl]furan-3-yl]furan-2-yl]-1H-imidazol-2-yl]methyl]-1H-indole has a molecular weight of 670.73 g/mol, XLogP of 10.18, 10 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[5-(furan-2-yl)-4-[4-[5-[5-(furan-2-yl)-2-[2-(1H-indol-3-yl)ethyl]-1H-imidazol-4-yl]furan-3-yl]furan-2-yl]-1H-imidazol-2-yl]methyl]-1H-indole is sourced from PubChem (CID 126495257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).