10-(4-methyl-2-phenylphenyl)furo[3,2-c][1,2,5]benzotriazepine

C23H17N3O — CID 59572236

IUPAC10-(4-methyl-2-phenylphenyl)furo[3,2-c][1,2,5]benzotriazepine
SMILESCc1ccc(N2c3ccccc3N=Nc3ccoc32)c(-c2ccccc2)c1
InChIInChI=1S/C23H17N3O/c1-16-11-12-21(18(15-16)17-7-3-2-4-8-17)26-22-10-6-5-9-19(22)24-25-20-13-14-27-23(20)26/h2-15H,1H3
InChIKeyVOQMHHHPVXEZDW-UHFFFAOYSA-N
MW351.41 g/mol
LogP7.45
Rot. Bonds2

About 10-(4-methyl-2-phenylphenyl)furo[3,2-c][1,2,5]benzotriazepine

10-(4-methyl-2-phenylphenyl)furo[3,2-c][1,2,5]benzotriazepine (PubChem CID 59572236) has the molecular formula C23H17N3O and a molecular weight of 351.41 g/mol. Its IUPAC name is 10-(4-methyl-2-phenylphenyl)furo[3,2-c][1,2,5]benzotriazepine.

Molecular Properties

Compound Name10-(4-methyl-2-phenylphenyl)furo[3,2-c][1,2,5]benzotriazepine
PubChem CID59572236
Molecular FormulaC23H17N3O
Molecular Weight351.41 g/mol
Exact Mass351.14
IUPAC Name10-(4-methyl-2-phenylphenyl)furo[3,2-c][1,2,5]benzotriazepine
SMILESCc1ccc(N2c3ccccc3N=Nc3ccoc32)c(-c2ccccc2)c1
InChIInChI=1S/C23H17N3O/c1-16-11-12-21(18(15-16)17-7-3-2-4-8-17)26-22-10-6-5-9-19(22)24-25-20-13-14-27-23(20)26/h2-15H,1H3
InChIKeyVOQMHHHPVXEZDW-UHFFFAOYSA-N
XLogP7.45
TPSA41.10 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500351.41
LogP ≤ 57.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 10-(4-methyl-2-phenylphenyl)furo[3,2-c][1,2,5]benzotriazepine?
The IUPAC name of 10-(4-methyl-2-phenylphenyl)furo[3,2-c][1,2,5]benzotriazepine (CID 59572236) is 10-(4-methyl-2-phenylphenyl)furo[3,2-c][1,2,5]benzotriazepine.
What is the SMILES notation for 10-(4-methyl-2-phenylphenyl)furo[3,2-c][1,2,5]benzotriazepine?
The canonical SMILES for 10-(4-methyl-2-phenylphenyl)furo[3,2-c][1,2,5]benzotriazepine is Cc1ccc(N2c3ccccc3N=Nc3ccoc32)c(-c2ccccc2)c1.
What is the InChIKey of 10-(4-methyl-2-phenylphenyl)furo[3,2-c][1,2,5]benzotriazepine?
The InChIKey is VOQMHHHPVXEZDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17N3O/c1-16-11-12-21(18(15-16)17-7-3-2-4-8-17)26-22-10-6-5-9-19(22)24-25-20-13-14-27-23(20)26/h2-15H,1H3.
What are the key properties of 10-(4-methyl-2-phenylphenyl)furo[3,2-c][1,2,5]benzotriazepine?
10-(4-methyl-2-phenylphenyl)furo[3,2-c][1,2,5]benzotriazepine has a molecular weight of 351.41 g/mol, XLogP of 7.45, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 10-(4-methyl-2-phenylphenyl)furo[3,2-c][1,2,5]benzotriazepine is sourced from PubChem (CID 59572236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).