3-[(E)-[3-[(E)-2-phenylethenyl]indazol-6-ylidene]methyl]-1H-indol-2-ol

C24H17N3O — CID 135989013

IUPAC3-[(E)-[3-[(E)-2-phenylethenyl]indazol-6-ylidene]methyl]-1H-indol-2-ol
SMILESOc1[nH]c2ccccc2c1/C=c1\ccc2c(c1)N=NC=2/C=C/c1ccccc1
InChIInChI=1S/C24H17N3O/c28-24-20(18-8-4-5-9-21(18)25-24)14-17-10-12-19-22(26-27-23(19)15-17)13-11-16-6-2-1-3-7-16/h1-15,25,28H/b13-11+,17-14+
InChIKeyKIXAXIUFTLYVHI-SSDASYOTSA-N
MW363.42 g/mol
LogP4.62
Rot. Bonds3

About 3-[(E)-[3-[(E)-2-phenylethenyl]indazol-6-ylidene]methyl]-1H-indol-2-ol

3-[(E)-[3-[(E)-2-phenylethenyl]indazol-6-ylidene]methyl]-1H-indol-2-ol (PubChem CID 135989013) has the molecular formula C24H17N3O and a molecular weight of 363.42 g/mol. Its IUPAC name is 3-[(E)-[3-[(E)-2-phenylethenyl]indazol-6-ylidene]methyl]-1H-indol-2-ol.

Molecular Properties

Compound Name3-[(E)-[3-[(E)-2-phenylethenyl]indazol-6-ylidene]methyl]-1H-indol-2-ol
PubChem CID135989013
Molecular FormulaC24H17N3O
Molecular Weight363.42 g/mol
Exact Mass363.14
IUPAC Name3-[(E)-[3-[(E)-2-phenylethenyl]indazol-6-ylidene]methyl]-1H-indol-2-ol
SMILESOc1[nH]c2ccccc2c1/C=c1\ccc2c(c1)N=NC=2/C=C/c1ccccc1
InChIInChI=1S/C24H17N3O/c28-24-20(18-8-4-5-9-21(18)25-24)14-17-10-12-19-22(26-27-23(19)15-17)13-11-16-6-2-1-3-7-16/h1-15,25,28H/b13-11+,17-14+
InChIKeyKIXAXIUFTLYVHI-SSDASYOTSA-N
XLogP4.62
TPSA60.74 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.42
LogP ≤ 54.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[(E)-[3-[(E)-2-phenylethenyl]indazol-6-ylidene]methyl]-1H-indol-2-ol?
The IUPAC name of 3-[(E)-[3-[(E)-2-phenylethenyl]indazol-6-ylidene]methyl]-1H-indol-2-ol (CID 135989013) is 3-[(E)-[3-[(E)-2-phenylethenyl]indazol-6-ylidene]methyl]-1H-indol-2-ol.
What is the SMILES notation for 3-[(E)-[3-[(E)-2-phenylethenyl]indazol-6-ylidene]methyl]-1H-indol-2-ol?
The canonical SMILES for 3-[(E)-[3-[(E)-2-phenylethenyl]indazol-6-ylidene]methyl]-1H-indol-2-ol is Oc1[nH]c2ccccc2c1/C=c1\ccc2c(c1)N=NC=2/C=C/c1ccccc1.
What is the InChIKey of 3-[(E)-[3-[(E)-2-phenylethenyl]indazol-6-ylidene]methyl]-1H-indol-2-ol?
The InChIKey is KIXAXIUFTLYVHI-SSDASYOTSA-N. The full InChI is InChI=1S/C24H17N3O/c28-24-20(18-8-4-5-9-21(18)25-24)14-17-10-12-19-22(26-27-23(19)15-17)13-11-16-6-2-1-3-7-16/h1-15,25,28H/b13-11+,17-14+.
What are the key properties of 3-[(E)-[3-[(E)-2-phenylethenyl]indazol-6-ylidene]methyl]-1H-indol-2-ol?
3-[(E)-[3-[(E)-2-phenylethenyl]indazol-6-ylidene]methyl]-1H-indol-2-ol has a molecular weight of 363.42 g/mol, XLogP of 4.62, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(E)-[3-[(E)-2-phenylethenyl]indazol-6-ylidene]methyl]-1H-indol-2-ol is sourced from PubChem (CID 135989013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).