2-[4-[bis(1H-indol-3-yl)methyl]phenyl]-5-(2-methyl-1H-indol-3-yl)-1,3,4-oxadiazole

C34H25N5O — CID 155568175

IUPAC2-[4-[bis(1H-indol-3-yl)methyl]phenyl]-5-(2-methyl-1H-indol-3-yl)-1,3,4-oxadiazole
SMILESCc1[nH]c2ccccc2c1-c1nnc(-c2ccc(C(c3c[nH]c4ccccc34)c3c[nH]c4ccccc34)cc2)o1
InChIInChI=1S/C34H25N5O/c1-20-31(25-10-4-7-13-30(25)37-20)34-39-38-33(40-34)22-16-14-21(15-17-22)32(26-18-35-28-11-5-2-8-23(26)28)27-19-36-29-12-6-3-9-24(27)29/h2-19,32,35-37H,1H3
InChIKeyRYYNACHSYXRPLA-UHFFFAOYSA-N
MW519.61 g/mol
LogP8.34
Rot. Bonds5

About 2-[4-[bis(1H-indol-3-yl)methyl]phenyl]-5-(2-methyl-1H-indol-3-yl)-1,3,4-oxadiazole

2-[4-[bis(1H-indol-3-yl)methyl]phenyl]-5-(2-methyl-1H-indol-3-yl)-1,3,4-oxadiazole (PubChem CID 155568175) has the molecular formula C34H25N5O and a molecular weight of 519.61 g/mol. Its IUPAC name is 2-[4-[bis(1H-indol-3-yl)methyl]phenyl]-5-(2-methyl-1H-indol-3-yl)-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[4-[bis(1H-indol-3-yl)methyl]phenyl]-5-(2-methyl-1H-indol-3-yl)-1,3,4-oxadiazole
PubChem CID155568175
Molecular FormulaC34H25N5O
Molecular Weight519.61 g/mol
Exact Mass519.21
IUPAC Name2-[4-[bis(1H-indol-3-yl)methyl]phenyl]-5-(2-methyl-1H-indol-3-yl)-1,3,4-oxadiazole
SMILESCc1[nH]c2ccccc2c1-c1nnc(-c2ccc(C(c3c[nH]c4ccccc34)c3c[nH]c4ccccc34)cc2)o1
InChIInChI=1S/C34H25N5O/c1-20-31(25-10-4-7-13-30(25)37-20)34-39-38-33(40-34)22-16-14-21(15-17-22)32(26-18-35-28-11-5-2-8-23(26)28)27-19-36-29-12-6-3-9-24(27)29/h2-19,32,35-37H,1H3
InChIKeyRYYNACHSYXRPLA-UHFFFAOYSA-N
XLogP8.34
TPSA86.29 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500519.61
LogP ≤ 58.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[bis(1H-indol-3-yl)methyl]phenyl]-5-(2-methyl-1H-indol-3-yl)-1,3,4-oxadiazole?
The IUPAC name of 2-[4-[bis(1H-indol-3-yl)methyl]phenyl]-5-(2-methyl-1H-indol-3-yl)-1,3,4-oxadiazole (CID 155568175) is 2-[4-[bis(1H-indol-3-yl)methyl]phenyl]-5-(2-methyl-1H-indol-3-yl)-1,3,4-oxadiazole.
What is the SMILES notation for 2-[4-[bis(1H-indol-3-yl)methyl]phenyl]-5-(2-methyl-1H-indol-3-yl)-1,3,4-oxadiazole?
The canonical SMILES for 2-[4-[bis(1H-indol-3-yl)methyl]phenyl]-5-(2-methyl-1H-indol-3-yl)-1,3,4-oxadiazole is Cc1[nH]c2ccccc2c1-c1nnc(-c2ccc(C(c3c[nH]c4ccccc34)c3c[nH]c4ccccc34)cc2)o1.
What is the InChIKey of 2-[4-[bis(1H-indol-3-yl)methyl]phenyl]-5-(2-methyl-1H-indol-3-yl)-1,3,4-oxadiazole?
The InChIKey is RYYNACHSYXRPLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H25N5O/c1-20-31(25-10-4-7-13-30(25)37-20)34-39-38-33(40-34)22-16-14-21(15-17-22)32(26-18-35-28-11-5-2-8-23(26)28)27-19-36-29-12-6-3-9-24(27)29/h2-19,32,35-37H,1H3.
What are the key properties of 2-[4-[bis(1H-indol-3-yl)methyl]phenyl]-5-(2-methyl-1H-indol-3-yl)-1,3,4-oxadiazole?
2-[4-[bis(1H-indol-3-yl)methyl]phenyl]-5-(2-methyl-1H-indol-3-yl)-1,3,4-oxadiazole has a molecular weight of 519.61 g/mol, XLogP of 8.34, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[bis(1H-indol-3-yl)methyl]phenyl]-5-(2-methyl-1H-indol-3-yl)-1,3,4-oxadiazole is sourced from PubChem (CID 155568175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).