5-(2-methoxyphenyl)-3,7-bis(4-methylphenyl)-4H-diazepine

C26H24N2O — CID 3757413

IUPAC5-(2-methoxyphenyl)-3,7-bis(4-methylphenyl)-4H-diazepine
SMILESCOc1ccccc1C1=CC(c2ccc(C)cc2)=NN=C(c2ccc(C)cc2)C1
InChIInChI=1S/C26H24N2O/c1-18-8-12-20(13-9-18)24-16-22(23-6-4-5-7-26(23)29-3)17-25(28-27-24)21-14-10-19(2)11-15-21/h4-16H,17H2,1-3H3
InChIKeyGJGRYULENFRHPH-UHFFFAOYSA-N
MW380.49 g/mol
LogP5.99
Rot. Bonds4

About 5-(2-methoxyphenyl)-3,7-bis(4-methylphenyl)-4H-diazepine

5-(2-methoxyphenyl)-3,7-bis(4-methylphenyl)-4H-diazepine (PubChem CID 3757413) has the molecular formula C26H24N2O and a molecular weight of 380.49 g/mol. Its IUPAC name is 5-(2-methoxyphenyl)-3,7-bis(4-methylphenyl)-4H-diazepine.

Molecular Properties

Compound Name5-(2-methoxyphenyl)-3,7-bis(4-methylphenyl)-4H-diazepine
PubChem CID3757413
Molecular FormulaC26H24N2O
Molecular Weight380.49 g/mol
Exact Mass380.19
IUPAC Name5-(2-methoxyphenyl)-3,7-bis(4-methylphenyl)-4H-diazepine
SMILESCOc1ccccc1C1=CC(c2ccc(C)cc2)=NN=C(c2ccc(C)cc2)C1
InChIInChI=1S/C26H24N2O/c1-18-8-12-20(13-9-18)24-16-22(23-6-4-5-7-26(23)29-3)17-25(28-27-24)21-14-10-19(2)11-15-21/h4-16H,17H2,1-3H3
InChIKeyGJGRYULENFRHPH-UHFFFAOYSA-N
XLogP5.99
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.49
LogP ≤ 55.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

7,8-dimethoxy-4-(4-methylphenyl)-1-phenyl-5H-2,3-benzodiazepine
CID 70081746
1-(2-methoxyphenyl)-2-[[5-(4-methylphenyl)-4H-pyrazol-3-yl]sulfanyl]ethanone
CID 157218048
ethane;3-(4-methylphenyl)-5-phenyl-4H-pyrazole
CID 91231324
1-methoxy-2-[4-[4-(2-methoxyphenyl)phenyl]phenyl]benzene
CID 86116478
N-benzyl-4-(3,7-diphenyl-4H-diazepin-5-yl)naphthalen-1-amine
CID 70594576
2-[4-(2-methoxyphenyl)-6-(4-methylphenyl)-1,3,5-triazin-2-yl]phenol
CID 154527419
3,5-bis(4-methylphenyl)-4H-pyrazole;1-methyl-4-[4-(4-methylphenyl)cyclopenta-1,3-dien-1-yl]benzene;1-methyl-4-[4-[4-[4-(4-methylphenyl)cyclopenta-1,3-dien-1-yl]cyclopenta-1,3-dien-1-yl]cyclopenta-1,3-dien-1-yl]benzene
CID 159594740
2-(2-methoxyphenyl)-5-methylpyrimidine
CID 155698550
1-isocyano-4-(2-methoxyphenyl)benzene
CID 59733289
N-[4-[4-[2-(2-methoxyphenyl)-6-phenyl-4-pyridinyl]phenyl]phenyl]-4-methyl-N-phenylaniline
CID 146337191
2-(2-methoxyphenyl)-1-(4-methylphenyl)imidazole
CID 141122425
CID 10968300
CID 10968300

Frequently Asked Questions

What is the IUPAC name of 5-(2-methoxyphenyl)-3,7-bis(4-methylphenyl)-4H-diazepine?
The IUPAC name of 5-(2-methoxyphenyl)-3,7-bis(4-methylphenyl)-4H-diazepine (CID 3757413) is 5-(2-methoxyphenyl)-3,7-bis(4-methylphenyl)-4H-diazepine.
What is the SMILES notation for 5-(2-methoxyphenyl)-3,7-bis(4-methylphenyl)-4H-diazepine?
The canonical SMILES for 5-(2-methoxyphenyl)-3,7-bis(4-methylphenyl)-4H-diazepine is COc1ccccc1C1=CC(c2ccc(C)cc2)=NN=C(c2ccc(C)cc2)C1.
What is the InChIKey of 5-(2-methoxyphenyl)-3,7-bis(4-methylphenyl)-4H-diazepine?
The InChIKey is GJGRYULENFRHPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N2O/c1-18-8-12-20(13-9-18)24-16-22(23-6-4-5-7-26(23)29-3)17-25(28-27-24)21-14-10-19(2)11-15-21/h4-16H,17H2,1-3H3.
What are the key properties of 5-(2-methoxyphenyl)-3,7-bis(4-methylphenyl)-4H-diazepine?
5-(2-methoxyphenyl)-3,7-bis(4-methylphenyl)-4H-diazepine has a molecular weight of 380.49 g/mol, XLogP of 5.99, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methoxyphenyl)-3,7-bis(4-methylphenyl)-4H-diazepine is sourced from PubChem (CID 3757413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).