3-[(5-cyano-1H-indol-3-yl)-[4-[5-(1H-indol-3-yl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]-1H-indole-5-carbonitrile

C35H21N7O — CID 155522295

IUPAC3-[(5-cyano-1H-indol-3-yl)-[4-[5-(1H-indol-3-yl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]-1H-indole-5-carbonitrile
SMILESN#Cc1ccc2[nH]cc(C(c3ccc(-c4nnc(-c5c[nH]c6ccccc56)o4)cc3)c3c[nH]c4ccc(C#N)cc34)c2c1
InChIInChI=1S/C35H21N7O/c36-15-20-5-11-31-25(13-20)27(17-38-31)33(28-18-39-32-12-6-21(16-37)14-26(28)32)22-7-9-23(10-8-22)34-41-42-35(43-34)29-19-40-30-4-2-1-3-24(29)30/h1-14,17-19,33,38-40H
InChIKeyDMXKFLSXWQSXQJ-UHFFFAOYSA-N
MW555.60 g/mol
LogP7.77
Rot. Bonds5

About 3-[(5-cyano-1H-indol-3-yl)-[4-[5-(1H-indol-3-yl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]-1H-indole-5-carbonitrile

3-[(5-cyano-1H-indol-3-yl)-[4-[5-(1H-indol-3-yl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]-1H-indole-5-carbonitrile (PubChem CID 155522295) has the molecular formula C35H21N7O and a molecular weight of 555.60 g/mol. Its IUPAC name is 3-[(5-cyano-1H-indol-3-yl)-[4-[5-(1H-indol-3-yl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]-1H-indole-5-carbonitrile.

Molecular Properties

Compound Name3-[(5-cyano-1H-indol-3-yl)-[4-[5-(1H-indol-3-yl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]-1H-indole-5-carbonitrile
PubChem CID155522295
Molecular FormulaC35H21N7O
Molecular Weight555.60 g/mol
Exact Mass555.18
IUPAC Name3-[(5-cyano-1H-indol-3-yl)-[4-[5-(1H-indol-3-yl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]-1H-indole-5-carbonitrile
SMILESN#Cc1ccc2[nH]cc(C(c3ccc(-c4nnc(-c5c[nH]c6ccccc56)o4)cc3)c3c[nH]c4ccc(C#N)cc34)c2c1
InChIInChI=1S/C35H21N7O/c36-15-20-5-11-31-25(13-20)27(17-38-31)33(28-18-39-32-12-6-21(16-37)14-26(28)32)22-7-9-23(10-8-22)34-41-42-35(43-34)29-19-40-30-4-2-1-3-24(29)30/h1-14,17-19,33,38-40H
InChIKeyDMXKFLSXWQSXQJ-UHFFFAOYSA-N
XLogP7.77
TPSA133.87 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500555.60
LogP ≤ 57.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 3-[(5-cyano-1H-indol-3-yl)-[4-[5-(1H-indol-3-yl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]-1H-indole-5-carbonitrile with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-[(5-cyano-1H-indol-3-yl)-[4-[5-(1H-indol-3-yl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]-1H-indole-5-carbonitrile?
The IUPAC name of 3-[(5-cyano-1H-indol-3-yl)-[4-[5-(1H-indol-3-yl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]-1H-indole-5-carbonitrile (CID 155522295) is 3-[(5-cyano-1H-indol-3-yl)-[4-[5-(1H-indol-3-yl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]-1H-indole-5-carbonitrile.
What is the SMILES notation for 3-[(5-cyano-1H-indol-3-yl)-[4-[5-(1H-indol-3-yl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]-1H-indole-5-carbonitrile?
The canonical SMILES for 3-[(5-cyano-1H-indol-3-yl)-[4-[5-(1H-indol-3-yl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]-1H-indole-5-carbonitrile is N#Cc1ccc2[nH]cc(C(c3ccc(-c4nnc(-c5c[nH]c6ccccc56)o4)cc3)c3c[nH]c4ccc(C#N)cc34)c2c1.
What is the InChIKey of 3-[(5-cyano-1H-indol-3-yl)-[4-[5-(1H-indol-3-yl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]-1H-indole-5-carbonitrile?
The InChIKey is DMXKFLSXWQSXQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H21N7O/c36-15-20-5-11-31-25(13-20)27(17-38-31)33(28-18-39-32-12-6-21(16-37)14-26(28)32)22-7-9-23(10-8-22)34-41-42-35(43-34)29-19-40-30-4-2-1-3-24(29)30/h1-14,17-19,33,38-40H.
What are the key properties of 3-[(5-cyano-1H-indol-3-yl)-[4-[5-(1H-indol-3-yl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]-1H-indole-5-carbonitrile?
3-[(5-cyano-1H-indol-3-yl)-[4-[5-(1H-indol-3-yl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]-1H-indole-5-carbonitrile has a molecular weight of 555.60 g/mol, XLogP of 7.77, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-cyano-1H-indol-3-yl)-[4-[5-(1H-indol-3-yl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]-1H-indole-5-carbonitrile is sourced from PubChem (CID 155522295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).