2,7,8-trimethyl-2,4-diphenyl-1,3-dihydro-1,5-benzodiazepine

C24H24N2 — CID 12969375

IUPAC2,7,8-trimethyl-2,4-diphenyl-1,3-dihydro-1,5-benzodiazepine
SMILESCc1cc2c(cc1C)NC(C)(c1ccccc1)CC(c1ccccc1)=N2
InChIInChI=1S/C24H24N2/c1-17-14-21-22(15-18(17)2)26-24(3,20-12-8-5-9-13-20)16-23(25-21)19-10-6-4-7-11-19/h4-15,26H,16H2,1-3H3
InChIKeyRQQLHUYTIPXXGC-UHFFFAOYSA-N
MW340.47 g/mol
LogP6.16
Rot. Bonds2

About 2,7,8-trimethyl-2,4-diphenyl-1,3-dihydro-1,5-benzodiazepine

2,7,8-trimethyl-2,4-diphenyl-1,3-dihydro-1,5-benzodiazepine (PubChem CID 12969375) has the molecular formula C24H24N2 and a molecular weight of 340.47 g/mol. Its IUPAC name is 2,7,8-trimethyl-2,4-diphenyl-1,3-dihydro-1,5-benzodiazepine.

Molecular Properties

Compound Name2,7,8-trimethyl-2,4-diphenyl-1,3-dihydro-1,5-benzodiazepine
PubChem CID12969375
Molecular FormulaC24H24N2
Molecular Weight340.47 g/mol
Exact Mass340.19
IUPAC Name2,7,8-trimethyl-2,4-diphenyl-1,3-dihydro-1,5-benzodiazepine
SMILESCc1cc2c(cc1C)NC(C)(c1ccccc1)CC(c1ccccc1)=N2
InChIInChI=1S/C24H24N2/c1-17-14-21-22(15-18(17)2)26-24(3,20-12-8-5-9-13-20)16-23(25-21)19-10-6-4-7-11-19/h4-15,26H,16H2,1-3H3
InChIKeyRQQLHUYTIPXXGC-UHFFFAOYSA-N
XLogP6.16
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500340.47
LogP ≤ 56.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,7,8-trimethyl-2,4-diphenyl-1,3-dihydro-1,5-benzodiazepine?
The IUPAC name of 2,7,8-trimethyl-2,4-diphenyl-1,3-dihydro-1,5-benzodiazepine (CID 12969375) is 2,7,8-trimethyl-2,4-diphenyl-1,3-dihydro-1,5-benzodiazepine.
What is the SMILES notation for 2,7,8-trimethyl-2,4-diphenyl-1,3-dihydro-1,5-benzodiazepine?
The canonical SMILES for 2,7,8-trimethyl-2,4-diphenyl-1,3-dihydro-1,5-benzodiazepine is Cc1cc2c(cc1C)NC(C)(c1ccccc1)CC(c1ccccc1)=N2.
What is the InChIKey of 2,7,8-trimethyl-2,4-diphenyl-1,3-dihydro-1,5-benzodiazepine?
The InChIKey is RQQLHUYTIPXXGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N2/c1-17-14-21-22(15-18(17)2)26-24(3,20-12-8-5-9-13-20)16-23(25-21)19-10-6-4-7-11-19/h4-15,26H,16H2,1-3H3.
What are the key properties of 2,7,8-trimethyl-2,4-diphenyl-1,3-dihydro-1,5-benzodiazepine?
2,7,8-trimethyl-2,4-diphenyl-1,3-dihydro-1,5-benzodiazepine has a molecular weight of 340.47 g/mol, XLogP of 6.16, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,7,8-trimethyl-2,4-diphenyl-1,3-dihydro-1,5-benzodiazepine is sourced from PubChem (CID 12969375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).