(Z)-N-(cyclohexen-1-yl)-2-[2-(5,5-dimethyl-6H-benzo[b][1]benzazepin-11-yl)-4a,9b-dihydrodibenzofuran-4-yl]-1,3-diphenylprop-1-ene-1,3-diamine

C49H47N3O — CID 139515698

About (Z)-N-(cyclohexen-1-yl)-2-[2-(5,5-dimethyl-6H-benzo[b][1]benzazepin-11-yl)-4a,9b-dihydrodibenzofuran-4-yl]-1,3-diphenylprop-1-ene-1,3-diamine

(Z)-N-(cyclohexen-1-yl)-2-[2-(5,5-dimethyl-6H-benzo[b][1]benzazepin-11-yl)-4a,9b-dihydrodibenzofuran-4-yl]-1,3-diphenylprop-1-ene-1,3-diamine (PubChem CID 139515698) has the molecular formula C49H47N3O and a molecular weight of 693.94 g/mol. Its IUPAC name is (Z)-N-(cyclohexen-1-yl)-2-[2-(5,5-dimethyl-6H-benzo[b][1]benzazepin-11-yl)-4a,9b-dihydrodibenzofuran-4-yl]-1,3-diphenylprop-1-ene-1,3-diamine.

Molecular Properties

• Compound Name: (Z)-N-(cyclohexen-1-yl)-2-[2-(5,5-dimethyl-6H-benzo[b][1]benzazepin-11-yl)-4a,9b-dihydrodibenzofuran-4-yl]-1,3-diphenylprop-1-ene-1,3-diamine
• PubChem CID: 139515698
• Molecular Formula: C49H47N3O
• Molecular Weight: 693.94 g/mol
• Exact Mass: 693.37
• IUPAC Name: (Z)-N-(cyclohexen-1-yl)-2-[2-(5,5-dimethyl-6H-benzo[b][1]benzazepin-11-yl)-4a,9b-dihydrodibenzofuran-4-yl]-1,3-diphenylprop-1-ene-1,3-diamine
• SMILES: CC1(C)Cc2ccccc2N(C2=CC3c4ccccc4OC3C(/C(=C(/NC3=CCCCC3)c3ccccc3)C(N)c3ccccc3)=C2)c2ccccc21
• InChI: InChI=1S/C49H47N3O/c1-49(2)32-35-22-12-15-27-42(35)52(43-28-16-14-26-41(43)49)37-30-39-38-25-13-17-29-44(38)53-48(39)40(31-37)45(46(50)33-18-6-3-7-19-33)47(34-20-8-4-9-21-34)51-36-23-10-5-11-24-36/h3-4,6-9,12-23,25-31,39,46,48,51H,5,10-11,24,32,50H2,1-2H3/b47-45-
• InChIKey: FXZJYYDJWDMPQL-FDPJPJEPSA-N
• XLogP: 11.19
• TPSA: 50.52 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 7
• Heavy Atoms: 53
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	693.94
LogP ≤ 5	11.19
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of (Z)-N-(cyclohexen-1-yl)-2-[2-(5,5-dimethyl-6H-benzo[b][1]benzazepin-11-yl)-4a,9b-dihydrodibenzofuran-4-yl]-1,3-diphenylprop-1-ene-1,3-diamine?

The IUPAC name of (Z)-N-(cyclohexen-1-yl)-2-[2-(5,5-dimethyl-6H-benzo[b][1]benzazepin-11-yl)-4a,9b-dihydrodibenzofuran-4-yl]-1,3-diphenylprop-1-ene-1,3-diamine (CID 139515698) is (Z)-N-(cyclohexen-1-yl)-2-[2-(5,5-dimethyl-6H-benzo[b][1]benzazepin-11-yl)-4a,9b-dihydrodibenzofuran-4-yl]-1,3-diphenylprop-1-ene-1,3-diamine.

What is the SMILES notation for (Z)-N-(cyclohexen-1-yl)-2-[2-(5,5-dimethyl-6H-benzo[b][1]benzazepin-11-yl)-4a,9b-dihydrodibenzofuran-4-yl]-1,3-diphenylprop-1-ene-1,3-diamine?

The canonical SMILES for (Z)-N-(cyclohexen-1-yl)-2-[2-(5,5-dimethyl-6H-benzo[b][1]benzazepin-11-yl)-4a,9b-dihydrodibenzofuran-4-yl]-1,3-diphenylprop-1-ene-1,3-diamine is CC1(C)Cc2ccccc2N(C2=CC3c4ccccc4OC3C(/C(=C(/NC3=CCCCC3)c3ccccc3)C(N)c3ccccc3)=C2)c2ccccc21.

What is the InChIKey of (Z)-N-(cyclohexen-1-yl)-2-[2-(5,5-dimethyl-6H-benzo[b][1]benzazepin-11-yl)-4a,9b-dihydrodibenzofuran-4-yl]-1,3-diphenylprop-1-ene-1,3-diamine?

The InChIKey is FXZJYYDJWDMPQL-FDPJPJEPSA-N. The full InChI is InChI=1S/C49H47N3O/c1-49(2)32-35-22-12-15-27-42(35)52(43-28-16-14-26-41(43)49)37-30-39-38-25-13-17-29-44(38)53-48(39)40(31-37)45(46(50)33-18-6-3-7-19-33)47(34-20-8-4-9-21-34)51-36-23-10-5-11-24-36/h3-4,6-9,12-23,25-31,39,46,48,51H,5,10-11,24,32,50H2,1-2H3/b47-45-.

What are the key properties of (Z)-N-(cyclohexen-1-yl)-2-[2-(5,5-dimethyl-6H-benzo[b][1]benzazepin-11-yl)-4a,9b-dihydrodibenzofuran-4-yl]-1,3-diphenylprop-1-ene-1,3-diamine?

(Z)-N-(cyclohexen-1-yl)-2-[2-(5,5-dimethyl-6H-benzo[b][1]benzazepin-11-yl)-4a,9b-dihydrodibenzofuran-4-yl]-1,3-diphenylprop-1-ene-1,3-diamine has a molecular weight of 693.94 g/mol, XLogP of 11.19, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for (Z)-N-(cyclohexen-1-yl)-2-[2-(5,5-dimethyl-6H-benzo[b][1]benzazepin-11-yl)-4a,9b-dihydrodibenzofuran-4-yl]-1,3-diphenylprop-1-ene-1,3-diamine is sourced from PubChem (CID 139515698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).