6,6-dimethyl-N,2-diphenyl-4-(phenylhydrazinylidene)-5,7-dihydroindazol-3-amine

C27H27N5 — CID 146170717

IUPAC6,6-dimethyl-N,2-diphenyl-4-(phenylhydrazinylidene)-5,7-dihydroindazol-3-amine
SMILESCC1(C)CC(=NNc2ccccc2)c2c(nn(-c3ccccc3)c2Nc2ccccc2)C1
InChIInChI=1S/C27H27N5/c1-27(2)18-23(30-29-21-14-8-4-9-15-21)25-24(19-27)31-32(22-16-10-5-11-17-22)26(25)28-20-12-6-3-7-13-20/h3-17,28-29H,18-19H2,1-2H3
InChIKeyZEBDPVXNDVPEDR-UHFFFAOYSA-N
MW421.55 g/mol
LogP6.40
Rot. Bonds5

About 6,6-dimethyl-N,2-diphenyl-4-(phenylhydrazinylidene)-5,7-dihydroindazol-3-amine

6,6-dimethyl-N,2-diphenyl-4-(phenylhydrazinylidene)-5,7-dihydroindazol-3-amine (PubChem CID 146170717) has the molecular formula C27H27N5 and a molecular weight of 421.55 g/mol. Its IUPAC name is 6,6-dimethyl-N,2-diphenyl-4-(phenylhydrazinylidene)-5,7-dihydroindazol-3-amine.

Molecular Properties

Compound Name6,6-dimethyl-N,2-diphenyl-4-(phenylhydrazinylidene)-5,7-dihydroindazol-3-amine
PubChem CID146170717
Molecular FormulaC27H27N5
Molecular Weight421.55 g/mol
Exact Mass421.23
IUPAC Name6,6-dimethyl-N,2-diphenyl-4-(phenylhydrazinylidene)-5,7-dihydroindazol-3-amine
SMILESCC1(C)CC(=NNc2ccccc2)c2c(nn(-c3ccccc3)c2Nc2ccccc2)C1
InChIInChI=1S/C27H27N5/c1-27(2)18-23(30-29-21-14-8-4-9-15-21)25-24(19-27)31-32(22-16-10-5-11-17-22)26(25)28-20-12-6-3-7-13-20/h3-17,28-29H,18-19H2,1-2H3
InChIKeyZEBDPVXNDVPEDR-UHFFFAOYSA-N
XLogP6.40
TPSA54.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500421.55
LogP ≤ 56.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

[(E)-(3,6,6-trimethyl-1-phenyl-5,7-dihydroindazol-4-ylidene)amino] N-phenylcarbamate
CID 18833316
N-(3-anilino-6,6-dimethyl-5,7-dihydro-2,1-benzoxazol-4-ylidene)hydroxylamine
CID 146170630
4-fluoro-N-[(E)-(3,6,6-trimethyl-1-phenyl-5,7-dihydroindazol-4-ylidene)amino]benzamide
CID 18833554
2-fluoro-N-[(E)-(3,6,6-trimethyl-1-phenyl-5,7-dihydroindazol-4-ylidene)amino]benzamide
CID 18833557
azepan-1-yl-[(4Z)-3,6,6-trimethyl-4-(phenylhydrazinylidene)-5,7-dihydro-1-benzofuran-2-yl]methanone
CID 18835267
N-[(Z)-[(2S,3R)-6,6-dimethyl-2-nitro-3-phenyl-2,3,5,7-tetrahydro-1-benzofuran-4-ylidene]amino]aniline
CID 98152726
[(E)-(3,6,6-trimethyl-1-phenyl-5,7-dihydroindazol-4-ylidene)amino] 2-methoxybenzoate
CID 18833305
[(E)-(3,6,6-trimethyl-1-phenyl-5,7-dihydroindazol-4-ylidene)amino] 3-chlorobenzoate
CID 18833296
2-anilino-4,7,7-trimethyl-6,8-dihydroquinazolin-5-one
CID 16583938
[(E)-(3,6,6-trimethyl-1-phenyl-5,7-dihydroindazol-4-ylidene)amino] 2,4-dichlorobenzoate
CID 18833306
(4Z)-N-(4-iodophenyl)-3,6,6-trimethyl-4-(phenylhydrazinylidene)-5,7-dihydro-1-benzofuran-2-carboxamide
CID 18835306
(3,5-dimethylphenyl) (4Z)-3,6,6-trimethyl-4-(phenylhydrazinylidene)-5,7-dihydro-1-benzofuran-2-carboxylate
CID 18835226

Frequently Asked Questions

What is the IUPAC name of 6,6-dimethyl-N,2-diphenyl-4-(phenylhydrazinylidene)-5,7-dihydroindazol-3-amine?
The IUPAC name of 6,6-dimethyl-N,2-diphenyl-4-(phenylhydrazinylidene)-5,7-dihydroindazol-3-amine (CID 146170717) is 6,6-dimethyl-N,2-diphenyl-4-(phenylhydrazinylidene)-5,7-dihydroindazol-3-amine.
What is the SMILES notation for 6,6-dimethyl-N,2-diphenyl-4-(phenylhydrazinylidene)-5,7-dihydroindazol-3-amine?
The canonical SMILES for 6,6-dimethyl-N,2-diphenyl-4-(phenylhydrazinylidene)-5,7-dihydroindazol-3-amine is CC1(C)CC(=NNc2ccccc2)c2c(nn(-c3ccccc3)c2Nc2ccccc2)C1.
What is the InChIKey of 6,6-dimethyl-N,2-diphenyl-4-(phenylhydrazinylidene)-5,7-dihydroindazol-3-amine?
The InChIKey is ZEBDPVXNDVPEDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27N5/c1-27(2)18-23(30-29-21-14-8-4-9-15-21)25-24(19-27)31-32(22-16-10-5-11-17-22)26(25)28-20-12-6-3-7-13-20/h3-17,28-29H,18-19H2,1-2H3.
What are the key properties of 6,6-dimethyl-N,2-diphenyl-4-(phenylhydrazinylidene)-5,7-dihydroindazol-3-amine?
6,6-dimethyl-N,2-diphenyl-4-(phenylhydrazinylidene)-5,7-dihydroindazol-3-amine has a molecular weight of 421.55 g/mol, XLogP of 6.40, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6,6-dimethyl-N,2-diphenyl-4-(phenylhydrazinylidene)-5,7-dihydroindazol-3-amine is sourced from PubChem (CID 146170717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).