4-chloro-2-phenyl-5,7-bis(phenyliminomethyl)-1H-indol-3-ol

C28H20ClN3O — CID 46197105

IUPAC4-chloro-2-phenyl-5,7-bis(phenyliminomethyl)-1H-indol-3-ol
SMILESOc1c(-c2ccccc2)[nH]c2c(/C=N/c3ccccc3)cc(/C=N/c3ccccc3)c(Cl)c12
InChIInChI=1S/C28H20ClN3O/c29-25-20(17-30-22-12-6-2-7-13-22)16-21(18-31-23-14-8-3-9-15-23)26-24(25)28(33)27(32-26)19-10-4-1-5-11-19/h1-18,32-33H/b30-17+,31-18+
InChIKeyMUHOVCPOYAEXTI-HRTPUDOWSA-N
MW449.94 g/mol
LogP7.70
Rot. Bonds5

About 4-chloro-2-phenyl-5,7-bis(phenyliminomethyl)-1H-indol-3-ol

4-chloro-2-phenyl-5,7-bis(phenyliminomethyl)-1H-indol-3-ol (PubChem CID 46197105) has the molecular formula C28H20ClN3O and a molecular weight of 449.94 g/mol. Its IUPAC name is 4-chloro-2-phenyl-5,7-bis(phenyliminomethyl)-1H-indol-3-ol.

Molecular Properties

Compound Name4-chloro-2-phenyl-5,7-bis(phenyliminomethyl)-1H-indol-3-ol
PubChem CID46197105
Molecular FormulaC28H20ClN3O
Molecular Weight449.94 g/mol
Exact Mass449.13
IUPAC Name4-chloro-2-phenyl-5,7-bis(phenyliminomethyl)-1H-indol-3-ol
SMILESOc1c(-c2ccccc2)[nH]c2c(/C=N/c3ccccc3)cc(/C=N/c3ccccc3)c(Cl)c12
InChIInChI=1S/C28H20ClN3O/c29-25-20(17-30-22-12-6-2-7-13-22)16-21(18-31-23-14-8-3-9-15-23)26-24(25)28(33)27(32-26)19-10-4-1-5-11-19/h1-18,32-33H/b30-17+,31-18+
InChIKeyMUHOVCPOYAEXTI-HRTPUDOWSA-N
XLogP7.70
TPSA60.74 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500449.94
LogP ≤ 57.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

carbanide;2-chloro-6-(phenyliminomethyl)phenol;zirconium(2+)
CID 135967304
palladium;bis(2-(phenyliminomethyl)phenol)
CID 162453521
N-(3-chlorophenyl)-1-(4,6-dimethoxy-2,3-diphenyl-1H-indol-7-yl)methanimine
CID 132990983
1-(2,3-dichlorophenyl)-N-phenylmethanimine
CID 23340900
2-iodo-4-methyl-6-(phenyliminomethyl)phenol
CID 135988546
2-[[4-[4-[4-[(2-hydroxyphenyl)methylideneamino]phenyl]phenyl]phenyl]iminomethyl]phenol
CID 3900677
N-phenyl-1-[1-(phenyliminomethyl)-3,8-dihydroindolo[7,6-g]indol-6-yl]methanimine
CID 135686999
2,4-diiodo-6-[(4-phenyldiazenylphenyl)iminomethyl]phenol
CID 5076612
5-methyl-3-(phenyliminomethyl)thiophen-2-ol
CID 778790
3-(phenyliminomethyl)phenanthren-4-ol
CID 136826594
2-methyl-6-[[4-(4-phenylphenyl)phenyl]iminomethyl]phenol
CID 135997411
dichlorozirconium;2-methyl-6-(phenyliminomethyl)phenol
CID 174611638

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-phenyl-5,7-bis(phenyliminomethyl)-1H-indol-3-ol?
The IUPAC name of 4-chloro-2-phenyl-5,7-bis(phenyliminomethyl)-1H-indol-3-ol (CID 46197105) is 4-chloro-2-phenyl-5,7-bis(phenyliminomethyl)-1H-indol-3-ol.
What is the SMILES notation for 4-chloro-2-phenyl-5,7-bis(phenyliminomethyl)-1H-indol-3-ol?
The canonical SMILES for 4-chloro-2-phenyl-5,7-bis(phenyliminomethyl)-1H-indol-3-ol is Oc1c(-c2ccccc2)[nH]c2c(/C=N/c3ccccc3)cc(/C=N/c3ccccc3)c(Cl)c12.
What is the InChIKey of 4-chloro-2-phenyl-5,7-bis(phenyliminomethyl)-1H-indol-3-ol?
The InChIKey is MUHOVCPOYAEXTI-HRTPUDOWSA-N. The full InChI is InChI=1S/C28H20ClN3O/c29-25-20(17-30-22-12-6-2-7-13-22)16-21(18-31-23-14-8-3-9-15-23)26-24(25)28(33)27(32-26)19-10-4-1-5-11-19/h1-18,32-33H/b30-17+,31-18+.
What are the key properties of 4-chloro-2-phenyl-5,7-bis(phenyliminomethyl)-1H-indol-3-ol?
4-chloro-2-phenyl-5,7-bis(phenyliminomethyl)-1H-indol-3-ol has a molecular weight of 449.94 g/mol, XLogP of 7.70, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-phenyl-5,7-bis(phenyliminomethyl)-1H-indol-3-ol is sourced from PubChem (CID 46197105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).