5-methyl-5-(2-methylbutan-2-yl)-2,7-diphenyl-1,3-diazepine;propane

C26H34N2 — CID 142553566

IUPAC5-methyl-5-(2-methylbutan-2-yl)-2,7-diphenyl-1,3-diazepine;propane
SMILESCCC.CCC(C)(C)C1(C)C=NC(c2ccccc2)=NC(c2ccccc2)=C1
InChIInChI=1S/C23H26N2.C3H8/c1-5-22(2,3)23(4)16-20(18-12-8-6-9-13-18)25-21(24-17-23)19-14-10-7-11-15-19;1-3-2/h6-17H,5H2,1-4H3;3H2,1-2H3
InChIKeyQFMAYIBAADLLBK-UHFFFAOYSA-N
MW374.57 g/mol
LogP7.42
Rot. Bonds4

About 5-methyl-5-(2-methylbutan-2-yl)-2,7-diphenyl-1,3-diazepine;propane

5-methyl-5-(2-methylbutan-2-yl)-2,7-diphenyl-1,3-diazepine;propane (PubChem CID 142553566) has the molecular formula C26H34N2 and a molecular weight of 374.57 g/mol. Its IUPAC name is 5-methyl-5-(2-methylbutan-2-yl)-2,7-diphenyl-1,3-diazepine;propane.

Molecular Properties

Compound Name5-methyl-5-(2-methylbutan-2-yl)-2,7-diphenyl-1,3-diazepine;propane
PubChem CID142553566
Molecular FormulaC26H34N2
Molecular Weight374.57 g/mol
Exact Mass374.27
IUPAC Name5-methyl-5-(2-methylbutan-2-yl)-2,7-diphenyl-1,3-diazepine;propane
SMILESCCC.CCC(C)(C)C1(C)C=NC(c2ccccc2)=NC(c2ccccc2)=C1
InChIInChI=1S/C23H26N2.C3H8/c1-5-22(2,3)23(4)16-20(18-12-8-6-9-13-18)25-21(24-17-23)19-14-10-7-11-15-19;1-3-2/h6-17H,5H2,1-4H3;3H2,1-2H3
InChIKeyQFMAYIBAADLLBK-UHFFFAOYSA-N
XLogP7.42
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.57
LogP ≤ 57.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-5-(2-methylbutan-2-yl)-2,7-diphenyl-1,3-diazepine;propane?
The IUPAC name of 5-methyl-5-(2-methylbutan-2-yl)-2,7-diphenyl-1,3-diazepine;propane (CID 142553566) is 5-methyl-5-(2-methylbutan-2-yl)-2,7-diphenyl-1,3-diazepine;propane.
What is the SMILES notation for 5-methyl-5-(2-methylbutan-2-yl)-2,7-diphenyl-1,3-diazepine;propane?
The canonical SMILES for 5-methyl-5-(2-methylbutan-2-yl)-2,7-diphenyl-1,3-diazepine;propane is CCC.CCC(C)(C)C1(C)C=NC(c2ccccc2)=NC(c2ccccc2)=C1.
What is the InChIKey of 5-methyl-5-(2-methylbutan-2-yl)-2,7-diphenyl-1,3-diazepine;propane?
The InChIKey is QFMAYIBAADLLBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N2.C3H8/c1-5-22(2,3)23(4)16-20(18-12-8-6-9-13-18)25-21(24-17-23)19-14-10-7-11-15-19;1-3-2/h6-17H,5H2,1-4H3;3H2,1-2H3.
What are the key properties of 5-methyl-5-(2-methylbutan-2-yl)-2,7-diphenyl-1,3-diazepine;propane?
5-methyl-5-(2-methylbutan-2-yl)-2,7-diphenyl-1,3-diazepine;propane has a molecular weight of 374.57 g/mol, XLogP of 7.42, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-5-(2-methylbutan-2-yl)-2,7-diphenyl-1,3-diazepine;propane is sourced from PubChem (CID 142553566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).