5-(2,6-dichlorophenyl)-N-methyl-1-tritylindazol-3-amine

C33H25Cl2N3 — CID 170248197

IUPAC5-(2,6-dichlorophenyl)-N-methyl-1-tritylindazol-3-amine
SMILESCNc1nn(C(c2ccccc2)(c2ccccc2)c2ccccc2)c2ccc(-c3c(Cl)cccc3Cl)cc12
InChIInChI=1S/C33H25Cl2N3/c1-36-32-27-22-23(31-28(34)18-11-19-29(31)35)20-21-30(27)38(37-32)33(24-12-5-2-6-13-24,25-14-7-3-8-15-25)26-16-9-4-10-17-26/h2-22H,1H3,(H,36,37)
InChIKeyCFNPUNFGKNZAFY-UHFFFAOYSA-N
MW534.49 g/mol
LogP8.89
Rot. Bonds6

About 5-(2,6-dichlorophenyl)-N-methyl-1-tritylindazol-3-amine

5-(2,6-dichlorophenyl)-N-methyl-1-tritylindazol-3-amine (PubChem CID 170248197) has the molecular formula C33H25Cl2N3 and a molecular weight of 534.49 g/mol. Its IUPAC name is 5-(2,6-dichlorophenyl)-N-methyl-1-tritylindazol-3-amine.

Molecular Properties

Compound Name5-(2,6-dichlorophenyl)-N-methyl-1-tritylindazol-3-amine
PubChem CID170248197
Molecular FormulaC33H25Cl2N3
Molecular Weight534.49 g/mol
Exact Mass533.14
IUPAC Name5-(2,6-dichlorophenyl)-N-methyl-1-tritylindazol-3-amine
SMILESCNc1nn(C(c2ccccc2)(c2ccccc2)c2ccccc2)c2ccc(-c3c(Cl)cccc3Cl)cc12
InChIInChI=1S/C33H25Cl2N3/c1-36-32-27-22-23(31-28(34)18-11-19-29(31)35)20-21-30(27)38(37-32)33(24-12-5-2-6-13-24,25-14-7-3-8-15-25)26-16-9-4-10-17-26/h2-22H,1H3,(H,36,37)
InChIKeyCFNPUNFGKNZAFY-UHFFFAOYSA-N
XLogP8.89
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500534.49
LogP ≤ 58.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Related Compounds

5-(2-chloro-6-fluorophenyl)-N-methyl-1-tritylindazol-3-amine
CID 169208454
[4-[3-(methylamino)-1-tritylindazol-5-yl]phenyl]methanol
CID 170248340
N-[5-(2,6-dichlorophenyl)-1-tritylindazol-3-yl]-4-(dimethylamino)cyclohexane-1-carboxamide
CID 169208467
6-chloro-N-methyl-1-tritylpyrazolo[4,3-c]pyridin-3-amine
CID 118272406
(3S)-3-[[5-(2,6-dichlorophenyl)-1-tritylindazol-3-yl]carbamoyl]piperidine-1-carboxylic acid
CID 170170326
N-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1-tritylindazol-3-amine
CID 174124984
tert-butyl 4-[3-(methylamino)-1-tritylindazol-5-yl]pyrazole-1-carboxylate
CID 170248462
N-[5-(4-fluorophenyl)-1-tritylindazol-3-yl]-1-methylpiperidine-4-carboxamide
CID 169208403
N-(5-bromo-1-tritylindazol-3-yl)-3-(methylamino)cyclobutane-1-carboxamide
CID 169207989
(3R)-3-[[5-(2-chloro-4-hydroxyphenyl)-1-tritylindazol-3-yl]carbamoyl]piperidine-1-carboxylic acid
CID 170170441
3-(3-amino-1-tritylindazol-5-yl)-4-chlorobenzonitrile
CID 169208282
6-chloro-N-(1,1,1-trifluoropropan-2-yl)-1-tritylpyrazolo[4,3-c]pyridin-3-amine;methane
CID 158560990

Frequently Asked Questions

What is the IUPAC name of 5-(2,6-dichlorophenyl)-N-methyl-1-tritylindazol-3-amine?
The IUPAC name of 5-(2,6-dichlorophenyl)-N-methyl-1-tritylindazol-3-amine (CID 170248197) is 5-(2,6-dichlorophenyl)-N-methyl-1-tritylindazol-3-amine.
What is the SMILES notation for 5-(2,6-dichlorophenyl)-N-methyl-1-tritylindazol-3-amine?
The canonical SMILES for 5-(2,6-dichlorophenyl)-N-methyl-1-tritylindazol-3-amine is CNc1nn(C(c2ccccc2)(c2ccccc2)c2ccccc2)c2ccc(-c3c(Cl)cccc3Cl)cc12.
What is the InChIKey of 5-(2,6-dichlorophenyl)-N-methyl-1-tritylindazol-3-amine?
The InChIKey is CFNPUNFGKNZAFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H25Cl2N3/c1-36-32-27-22-23(31-28(34)18-11-19-29(31)35)20-21-30(27)38(37-32)33(24-12-5-2-6-13-24,25-14-7-3-8-15-25)26-16-9-4-10-17-26/h2-22H,1H3,(H,36,37).
What are the key properties of 5-(2,6-dichlorophenyl)-N-methyl-1-tritylindazol-3-amine?
5-(2,6-dichlorophenyl)-N-methyl-1-tritylindazol-3-amine has a molecular weight of 534.49 g/mol, XLogP of 8.89, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,6-dichlorophenyl)-N-methyl-1-tritylindazol-3-amine is sourced from PubChem (CID 170248197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).