(Z)-N'-[[5-(7-naphthalen-2-ylindolo[2,3-b]carbazol-5-yl)naphthalen-2-yl]methylidene]-1,3-diphenylprop-2-ene-1,3-diimine

C54H36N4 — CID 176597243

About (Z)-N'-[[5-(7-naphthalen-2-ylindolo[2,3-b]carbazol-5-yl)naphthalen-2-yl]methylidene]-1,3-diphenylprop-2-ene-1,3-diimine

(Z)-N'-[[5-(7-naphthalen-2-ylindolo[2,3-b]carbazol-5-yl)naphthalen-2-yl]methylidene]-1,3-diphenylprop-2-ene-1,3-diimine (PubChem CID 176597243) has the molecular formula C54H36N4 and a molecular weight of 740.91 g/mol. Its IUPAC name is (Z)-N'-[[5-(7-naphthalen-2-ylindolo[2,3-b]carbazol-5-yl)naphthalen-2-yl]methylidene]-1,3-diphenylprop-2-ene-1,3-diimine.

Molecular Properties

• Compound Name: (Z)-N'-[[5-(7-naphthalen-2-ylindolo[2,3-b]carbazol-5-yl)naphthalen-2-yl]methylidene]-1,3-diphenylprop-2-ene-1,3-diimine
• PubChem CID: 176597243
• Molecular Formula: C54H36N4
• Molecular Weight: 740.91 g/mol
• Exact Mass: 740.29
• IUPAC Name: (Z)-N'-[[5-(7-naphthalen-2-ylindolo[2,3-b]carbazol-5-yl)naphthalen-2-yl]methylidene]-1,3-diphenylprop-2-ene-1,3-diimine
• SMILES: [H]/N=C(/C=C(\N=C\c1ccc2c(-n3c4ccccc4c4cc5c6ccccc6n(-c6ccc7ccccc7c6)c5cc43)cccc2c1)c1ccccc1)c1ccccc1
• InChI: InChI=1S/C54H36N4/c55-48(38-15-3-1-4-16-38)33-49(39-17-5-2-6-18-39)56-35-36-26-29-43-41(30-36)20-13-25-50(43)58-52-24-12-10-22-45(52)47-32-46-44-21-9-11-23-51(44)57(53(46)34-54(47)58)42-28-27-37-14-7-8-19-40(37)31-42/h1-35,55H/b49-33-,55-48-,56-35+
• InChIKey: XSSGYPGUBNWPJP-JDDGVDRZSA-N
• XLogP: 13.72
• TPSA: 46.07 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 7
• Heavy Atoms: 58
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	740.91
LogP ≤ 5	13.72
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'imine_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (Z)-N'-[[5-(7-naphthalen-2-ylindolo[2,3-b]carbazol-5-yl)naphthalen-2-yl]methylidene]-1,3-diphenylprop-2-ene-1,3-diimine?

The IUPAC name of (Z)-N'-[[5-(7-naphthalen-2-ylindolo[2,3-b]carbazol-5-yl)naphthalen-2-yl]methylidene]-1,3-diphenylprop-2-ene-1,3-diimine (CID 176597243) is (Z)-N'-[[5-(7-naphthalen-2-ylindolo[2,3-b]carbazol-5-yl)naphthalen-2-yl]methylidene]-1,3-diphenylprop-2-ene-1,3-diimine.

What is the SMILES notation for (Z)-N'-[[5-(7-naphthalen-2-ylindolo[2,3-b]carbazol-5-yl)naphthalen-2-yl]methylidene]-1,3-diphenylprop-2-ene-1,3-diimine?

The canonical SMILES for (Z)-N'-[[5-(7-naphthalen-2-ylindolo[2,3-b]carbazol-5-yl)naphthalen-2-yl]methylidene]-1,3-diphenylprop-2-ene-1,3-diimine is [H]/N=C(/C=C(\N=C\c1ccc2c(-n3c4ccccc4c4cc5c6ccccc6n(-c6ccc7ccccc7c6)c5cc43)cccc2c1)c1ccccc1)c1ccccc1.

What is the InChIKey of (Z)-N'-[[5-(7-naphthalen-2-ylindolo[2,3-b]carbazol-5-yl)naphthalen-2-yl]methylidene]-1,3-diphenylprop-2-ene-1,3-diimine?

The InChIKey is XSSGYPGUBNWPJP-JDDGVDRZSA-N. The full InChI is InChI=1S/C54H36N4/c55-48(38-15-3-1-4-16-38)33-49(39-17-5-2-6-18-39)56-35-36-26-29-43-41(30-36)20-13-25-50(43)58-52-24-12-10-22-45(52)47-32-46-44-21-9-11-23-51(44)57(53(46)34-54(47)58)42-28-27-37-14-7-8-19-40(37)31-42/h1-35,55H/b49-33-,55-48-,56-35+.

What are the key properties of (Z)-N'-[[5-(7-naphthalen-2-ylindolo[2,3-b]carbazol-5-yl)naphthalen-2-yl]methylidene]-1,3-diphenylprop-2-ene-1,3-diimine?

(Z)-N'-[[5-(7-naphthalen-2-ylindolo[2,3-b]carbazol-5-yl)naphthalen-2-yl]methylidene]-1,3-diphenylprop-2-ene-1,3-diimine has a molecular weight of 740.91 g/mol, XLogP of 13.72, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for (Z)-N'-[[5-(7-naphthalen-2-ylindolo[2,3-b]carbazol-5-yl)naphthalen-2-yl]methylidene]-1,3-diphenylprop-2-ene-1,3-diimine is sourced from PubChem (CID 176597243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).