6-(benzhydrylideneamino)-3-methyl-4-(3-methyl-1H-indol-2-yl)-1H-indol-7-ol

C31H25N3O — CID 10647429

IUPAC6-(benzhydrylideneamino)-3-methyl-4-(3-methyl-1H-indol-2-yl)-1H-indol-7-ol
SMILESCc1c(-c2cc(N=C(c3ccccc3)c3ccccc3)c(O)c3[nH]cc(C)c23)[nH]c2ccccc12
InChIInChI=1S/C31H25N3O/c1-19-18-32-30-27(19)24(28-20(2)23-15-9-10-16-25(23)33-28)17-26(31(30)35)34-29(21-11-5-3-6-12-21)22-13-7-4-8-14-22/h3-18,32-33,35H,1-2H3
InChIKeyZMMWVJIJFVGLNI-UHFFFAOYSA-N
MW455.56 g/mol
LogP7.81
Rot. Bonds4

About 6-(benzhydrylideneamino)-3-methyl-4-(3-methyl-1H-indol-2-yl)-1H-indol-7-ol

6-(benzhydrylideneamino)-3-methyl-4-(3-methyl-1H-indol-2-yl)-1H-indol-7-ol (PubChem CID 10647429) has the molecular formula C31H25N3O and a molecular weight of 455.56 g/mol. Its IUPAC name is 6-(benzhydrylideneamino)-3-methyl-4-(3-methyl-1H-indol-2-yl)-1H-indol-7-ol.

Molecular Properties

Compound Name6-(benzhydrylideneamino)-3-methyl-4-(3-methyl-1H-indol-2-yl)-1H-indol-7-ol
PubChem CID10647429
Molecular FormulaC31H25N3O
Molecular Weight455.56 g/mol
Exact Mass455.20
IUPAC Name6-(benzhydrylideneamino)-3-methyl-4-(3-methyl-1H-indol-2-yl)-1H-indol-7-ol
SMILESCc1c(-c2cc(N=C(c3ccccc3)c3ccccc3)c(O)c3[nH]cc(C)c23)[nH]c2ccccc12
InChIInChI=1S/C31H25N3O/c1-19-18-32-30-27(19)24(28-20(2)23-15-9-10-16-25(23)33-28)17-26(31(30)35)34-29(21-11-5-3-6-12-21)22-13-7-4-8-14-22/h3-18,32-33,35H,1-2H3
InChIKeyZMMWVJIJFVGLNI-UHFFFAOYSA-N
XLogP7.81
TPSA64.17 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500455.56
LogP ≤ 57.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_phenol_A(3)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-(benzhydrylideneamino)-3-methyl-4-(3-methyl-1H-indol-2-yl)-1H-indol-7-ol?
The IUPAC name of 6-(benzhydrylideneamino)-3-methyl-4-(3-methyl-1H-indol-2-yl)-1H-indol-7-ol (CID 10647429) is 6-(benzhydrylideneamino)-3-methyl-4-(3-methyl-1H-indol-2-yl)-1H-indol-7-ol.
What is the SMILES notation for 6-(benzhydrylideneamino)-3-methyl-4-(3-methyl-1H-indol-2-yl)-1H-indol-7-ol?
The canonical SMILES for 6-(benzhydrylideneamino)-3-methyl-4-(3-methyl-1H-indol-2-yl)-1H-indol-7-ol is Cc1c(-c2cc(N=C(c3ccccc3)c3ccccc3)c(O)c3[nH]cc(C)c23)[nH]c2ccccc12.
What is the InChIKey of 6-(benzhydrylideneamino)-3-methyl-4-(3-methyl-1H-indol-2-yl)-1H-indol-7-ol?
The InChIKey is ZMMWVJIJFVGLNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H25N3O/c1-19-18-32-30-27(19)24(28-20(2)23-15-9-10-16-25(23)33-28)17-26(31(30)35)34-29(21-11-5-3-6-12-21)22-13-7-4-8-14-22/h3-18,32-33,35H,1-2H3.
What are the key properties of 6-(benzhydrylideneamino)-3-methyl-4-(3-methyl-1H-indol-2-yl)-1H-indol-7-ol?
6-(benzhydrylideneamino)-3-methyl-4-(3-methyl-1H-indol-2-yl)-1H-indol-7-ol has a molecular weight of 455.56 g/mol, XLogP of 7.81, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(benzhydrylideneamino)-3-methyl-4-(3-methyl-1H-indol-2-yl)-1H-indol-7-ol is sourced from PubChem (CID 10647429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).