(2E,5Z,7Z)-5-amino-9-(6,9-diphenylcarbazol-3-yl)-2-methyl-4-methylidenenona-2,5,7-trienenitrile

C35H29N3 — CID 144924519

About (2E,5Z,7Z)-5-amino-9-(6,9-diphenylcarbazol-3-yl)-2-methyl-4-methylidenenona-2,5,7-trienenitrile

(2E,5Z,7Z)-5-amino-9-(6,9-diphenylcarbazol-3-yl)-2-methyl-4-methylidenenona-2,5,7-trienenitrile (PubChem CID 144924519) has the molecular formula C35H29N3 and a molecular weight of 491.64 g/mol. Its IUPAC name is (2E,5Z,7Z)-5-amino-9-(6,9-diphenylcarbazol-3-yl)-2-methyl-4-methylidenenona-2,5,7-trienenitrile.

Molecular Properties

• Compound Name: (2E,5Z,7Z)-5-amino-9-(6,9-diphenylcarbazol-3-yl)-2-methyl-4-methylidenenona-2,5,7-trienenitrile
• PubChem CID: 144924519
• Molecular Formula: C35H29N3
• Molecular Weight: 491.64 g/mol
• Exact Mass: 491.24
• IUPAC Name: (2E,5Z,7Z)-5-amino-9-(6,9-diphenylcarbazol-3-yl)-2-methyl-4-methylidenenona-2,5,7-trienenitrile
• SMILES: C=C(/C=C(\C)C#N)/C(N)=C\C=C/Cc1ccc2c(c1)c1cc(-c3ccccc3)ccc1n2-c1ccccc1
• InChI: InChI=1S/C35H29N3/c1-25(24-36)21-26(2)33(37)16-10-9-11-27-17-19-34-31(22-27)32-23-29(28-12-5-3-6-13-28)18-20-35(32)38(34)30-14-7-4-8-15-30/h3-10,12-23H,2,11,37H2,1H3/b10-9-,25-21+,33-16-
• InChIKey: FWZRGKVFQMAMMF-WYXIVRKESA-N
• XLogP: 8.42
• TPSA: 54.74 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 7
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	491.64
LogP ≤ 5	8.42
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'conjugated_nitrile_group', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (2E,5Z,7Z)-5-amino-9-(6,9-diphenylcarbazol-3-yl)-2-methyl-4-methylidenenona-2,5,7-trienenitrile?

The IUPAC name of (2E,5Z,7Z)-5-amino-9-(6,9-diphenylcarbazol-3-yl)-2-methyl-4-methylidenenona-2,5,7-trienenitrile (CID 144924519) is (2E,5Z,7Z)-5-amino-9-(6,9-diphenylcarbazol-3-yl)-2-methyl-4-methylidenenona-2,5,7-trienenitrile.

What is the SMILES notation for (2E,5Z,7Z)-5-amino-9-(6,9-diphenylcarbazol-3-yl)-2-methyl-4-methylidenenona-2,5,7-trienenitrile?

The canonical SMILES for (2E,5Z,7Z)-5-amino-9-(6,9-diphenylcarbazol-3-yl)-2-methyl-4-methylidenenona-2,5,7-trienenitrile is C=C(/C=C(\C)C#N)/C(N)=C\C=C/Cc1ccc2c(c1)c1cc(-c3ccccc3)ccc1n2-c1ccccc1.

What is the InChIKey of (2E,5Z,7Z)-5-amino-9-(6,9-diphenylcarbazol-3-yl)-2-methyl-4-methylidenenona-2,5,7-trienenitrile?

The InChIKey is FWZRGKVFQMAMMF-WYXIVRKESA-N. The full InChI is InChI=1S/C35H29N3/c1-25(24-36)21-26(2)33(37)16-10-9-11-27-17-19-34-31(22-27)32-23-29(28-12-5-3-6-13-28)18-20-35(32)38(34)30-14-7-4-8-15-30/h3-10,12-23H,2,11,37H2,1H3/b10-9-,25-21+,33-16-.

What are the key properties of (2E,5Z,7Z)-5-amino-9-(6,9-diphenylcarbazol-3-yl)-2-methyl-4-methylidenenona-2,5,7-trienenitrile?

(2E,5Z,7Z)-5-amino-9-(6,9-diphenylcarbazol-3-yl)-2-methyl-4-methylidenenona-2,5,7-trienenitrile has a molecular weight of 491.64 g/mol, XLogP of 8.42, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for (2E,5Z,7Z)-5-amino-9-(6,9-diphenylcarbazol-3-yl)-2-methyl-4-methylidenenona-2,5,7-trienenitrile is sourced from PubChem (CID 144924519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).