5-methyl-1,3-diphenyl-4,5-dihydrobenzo[e]indazole

C24H20N2 — CID 12713194

IUPAC5-methyl-1,3-diphenyl-4,5-dihydrobenzo[e]indazole
SMILESCC1Cc2c(c(-c3ccccc3)nn2-c2ccccc2)-c2ccccc21
InChIInChI=1S/C24H20N2/c1-17-16-22-23(21-15-9-8-14-20(17)21)24(18-10-4-2-5-11-18)25-26(22)19-12-6-3-7-13-19/h2-15,17H,16H2,1H3
InChIKeyUANYZMKWXSRVBN-UHFFFAOYSA-N
MW336.44 g/mol
LogP5.87
Rot. Bonds2

About 5-methyl-1,3-diphenyl-4,5-dihydrobenzo[e]indazole

5-methyl-1,3-diphenyl-4,5-dihydrobenzo[e]indazole (PubChem CID 12713194) has the molecular formula C24H20N2 and a molecular weight of 336.44 g/mol. Its IUPAC name is 5-methyl-1,3-diphenyl-4,5-dihydrobenzo[e]indazole.

Molecular Properties

Compound Name5-methyl-1,3-diphenyl-4,5-dihydrobenzo[e]indazole
PubChem CID12713194
Molecular FormulaC24H20N2
Molecular Weight336.44 g/mol
Exact Mass336.16
IUPAC Name5-methyl-1,3-diphenyl-4,5-dihydrobenzo[e]indazole
SMILESCC1Cc2c(c(-c3ccccc3)nn2-c2ccccc2)-c2ccccc21
InChIInChI=1S/C24H20N2/c1-17-16-22-23(21-15-9-8-14-20(17)21)24(18-10-4-2-5-11-18)25-26(22)19-12-6-3-7-13-19/h2-15,17H,16H2,1H3
InChIKeyUANYZMKWXSRVBN-UHFFFAOYSA-N
XLogP5.87
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500336.44
LogP ≤ 55.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5-methyl-1,3-diphenyl-4,5-dihydrobenzo[g]indazole
CID 12713181
5-methyl-1,3,4-triphenylpyrazole
CID 1202580
(1R,8S)-1,3,5-triphenyl-4,5-diazatetracyclo[6.6.1.02,6.09,14]pentadeca-2(6),3,9,11,13-pentaene
CID 11796602
4,5-dimethyl-1,3-diphenylpyrazole
CID 13258584
6,8-dimethyl-1,3-diphenyl-5,6-dihydropyrazolo[5,4-e][1,4]diazepine-4,7-dione
CID 15228920
4-cyclohexyl-1,5-diphenyl-3-(4-phenylphenyl)pyrazole
CID 134910224
4-methyl-1,3-diphenylpyrazol-5-amine
CID 43336769
1,3,4-triphenylpyrazole-5-carboxylic acid
CID 15566290
5-chloro-4-methyl-1,3-diphenylpyrazole
CID 104847504
1-phenyl-3,6-dipyridin-3-yl-6,7-dihydroindazole
CID 161209606
1-methyl-3-methylidene-1,2-dihydroindene
CID 59797400
dimethyl 3-[4-[2-(1,3-dioxolan-2-yl)phenyl]phenyl]-1-phenylpyrazole-4,5-dicarboxylate
CID 169389820

Frequently Asked Questions

What is the IUPAC name of 5-methyl-1,3-diphenyl-4,5-dihydrobenzo[e]indazole?
The IUPAC name of 5-methyl-1,3-diphenyl-4,5-dihydrobenzo[e]indazole (CID 12713194) is 5-methyl-1,3-diphenyl-4,5-dihydrobenzo[e]indazole.
What is the SMILES notation for 5-methyl-1,3-diphenyl-4,5-dihydrobenzo[e]indazole?
The canonical SMILES for 5-methyl-1,3-diphenyl-4,5-dihydrobenzo[e]indazole is CC1Cc2c(c(-c3ccccc3)nn2-c2ccccc2)-c2ccccc21.
What is the InChIKey of 5-methyl-1,3-diphenyl-4,5-dihydrobenzo[e]indazole?
The InChIKey is UANYZMKWXSRVBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20N2/c1-17-16-22-23(21-15-9-8-14-20(17)21)24(18-10-4-2-5-11-18)25-26(22)19-12-6-3-7-13-19/h2-15,17H,16H2,1H3.
What are the key properties of 5-methyl-1,3-diphenyl-4,5-dihydrobenzo[e]indazole?
5-methyl-1,3-diphenyl-4,5-dihydrobenzo[e]indazole has a molecular weight of 336.44 g/mol, XLogP of 5.87, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1,3-diphenyl-4,5-dihydrobenzo[e]indazole is sourced from PubChem (CID 12713194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).