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

C36H23N7O — CID 155538044

IUPAC3-[(5-cyano-1H-indol-3-yl)-[4-[5-(1-methylindol-3-yl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]-1H-indole-5-carbonitrile
SMILESCn1cc(-c2nnc(-c3ccc(C(c4c[nH]c5ccc(C#N)cc45)c4c[nH]c5ccc(C#N)cc45)cc3)o2)c2ccccc21
InChIInChI=1S/C36H23N7O/c1-43-20-30(25-4-2-3-5-33(25)43)36-42-41-35(44-36)24-10-8-23(9-11-24)34(28-18-39-31-12-6-21(16-37)14-26(28)31)29-19-40-32-13-7-22(17-38)15-27(29)32/h2-15,18-20,34,39-40H,1H3
InChIKeyKHDIPZJKRSRKSG-UHFFFAOYSA-N
MW569.63 g/mol
LogP7.78
Rot. Bonds5

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

3-[(5-cyano-1H-indol-3-yl)-[4-[5-(1-methylindol-3-yl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]-1H-indole-5-carbonitrile (PubChem CID 155538044) has the molecular formula C36H23N7O and a molecular weight of 569.63 g/mol. Its IUPAC name is 3-[(5-cyano-1H-indol-3-yl)-[4-[5-(1-methylindol-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-(1-methylindol-3-yl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]-1H-indole-5-carbonitrile
PubChem CID155538044
Molecular FormulaC36H23N7O
Molecular Weight569.63 g/mol
Exact Mass569.20
IUPAC Name3-[(5-cyano-1H-indol-3-yl)-[4-[5-(1-methylindol-3-yl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]-1H-indole-5-carbonitrile
SMILESCn1cc(-c2nnc(-c3ccc(C(c4c[nH]c5ccc(C#N)cc45)c4c[nH]c5ccc(C#N)cc45)cc3)o2)c2ccccc21
InChIInChI=1S/C36H23N7O/c1-43-20-30(25-4-2-3-5-33(25)43)36-42-41-35(44-36)24-10-8-23(9-11-24)34(28-18-39-31-12-6-21(16-37)14-26(28)31)29-19-40-32-13-7-22(17-38)15-27(29)32/h2-15,18-20,34,39-40H,1H3
InChIKeyKHDIPZJKRSRKSG-UHFFFAOYSA-N
XLogP7.78
TPSA123.01 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500569.63
LogP ≤ 57.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 3-[(5-cyano-1H-indol-3-yl)-[4-[5-(1-methylindol-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-(1-methylindol-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-(1-methylindol-3-yl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]-1H-indole-5-carbonitrile (CID 155538044) is 3-[(5-cyano-1H-indol-3-yl)-[4-[5-(1-methylindol-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-(1-methylindol-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-(1-methylindol-3-yl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]-1H-indole-5-carbonitrile is Cn1cc(-c2nnc(-c3ccc(C(c4c[nH]c5ccc(C#N)cc45)c4c[nH]c5ccc(C#N)cc45)cc3)o2)c2ccccc21.
What is the InChIKey of 3-[(5-cyano-1H-indol-3-yl)-[4-[5-(1-methylindol-3-yl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]-1H-indole-5-carbonitrile?
The InChIKey is KHDIPZJKRSRKSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H23N7O/c1-43-20-30(25-4-2-3-5-33(25)43)36-42-41-35(44-36)24-10-8-23(9-11-24)34(28-18-39-31-12-6-21(16-37)14-26(28)31)29-19-40-32-13-7-22(17-38)15-27(29)32/h2-15,18-20,34,39-40H,1H3.
What are the key properties of 3-[(5-cyano-1H-indol-3-yl)-[4-[5-(1-methylindol-3-yl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]-1H-indole-5-carbonitrile?
3-[(5-cyano-1H-indol-3-yl)-[4-[5-(1-methylindol-3-yl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]-1H-indole-5-carbonitrile has a molecular weight of 569.63 g/mol, XLogP of 7.78, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-cyano-1H-indol-3-yl)-[4-[5-(1-methylindol-3-yl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]-1H-indole-5-carbonitrile is sourced from PubChem (CID 155538044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).