N-[(methylideneamino)-phenylmethylidene]-3-(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)-5-phenylbenzenecarboximidamide

C33H24N4 — CID 170536719

About N-[(methylideneamino)-phenylmethylidene]-3-(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)-5-phenylbenzenecarboximidamide

N-[(methylideneamino)-phenylmethylidene]-3-(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)-5-phenylbenzenecarboximidamide (PubChem CID 170536719) has the molecular formula C33H24N4 and a molecular weight of 484.63 g/mol. Its IUPAC name is N-[(methylideneamino)-phenylmethylidene]-3-(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)-5-phenylbenzenecarboximidamide.

Molecular Properties

• Compound Name: N-[(methylideneamino)-phenylmethylidene]-3-(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)-5-phenylbenzenecarboximidamide
• PubChem CID: 170536719
• Molecular Formula: C33H24N4
• Molecular Weight: 484.63 g/mol
• Exact Mass: 484.25
• IUPAC Name: N-[(methylideneamino)-phenylmethylidene]-3-(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)-5-phenylbenzenecarboximidamide
• SMILES: [H]/N=C(\N=C(/N=C)c1ccccc1)c1cc(-c2ccccc2)cc(-n2c3c([2H])c([2H])c([2H])c([2H])c3c3c([2H])c([2H])c([2H])c([2H])c32)c1
• InChI: InChI=1S/C33H24N4/c1-35-33(24-14-6-3-7-15-24)36-32(34)26-20-25(23-12-4-2-5-13-23)21-27(22-26)37-30-18-10-8-16-28(30)29-17-9-11-19-31(29)37/h2-22,34H,1H2/b34-32-,36-33-/i8D,9D,10D,11D,16D,17D,18D,19D
• InChIKey: RAVSRINATLFVMG-JDURGICDSA-N
• XLogP: 7.92
• TPSA: 53.50 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 2
• Rotatable Bonds: 4
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	484.63
LogP ≤ 5	7.92
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[(methylideneamino)-phenylmethylidene]-3-(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)-5-phenylbenzenecarboximidamide?

The IUPAC name of N-[(methylideneamino)-phenylmethylidene]-3-(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)-5-phenylbenzenecarboximidamide (CID 170536719) is N-[(methylideneamino)-phenylmethylidene]-3-(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)-5-phenylbenzenecarboximidamide.

What is the SMILES notation for N-[(methylideneamino)-phenylmethylidene]-3-(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)-5-phenylbenzenecarboximidamide?

The canonical SMILES for N-[(methylideneamino)-phenylmethylidene]-3-(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)-5-phenylbenzenecarboximidamide is [H]/N=C(\N=C(/N=C)c1ccccc1)c1cc(-c2ccccc2)cc(-n2c3c([2H])c([2H])c([2H])c([2H])c3c3c([2H])c([2H])c([2H])c([2H])c32)c1.

What is the InChIKey of N-[(methylideneamino)-phenylmethylidene]-3-(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)-5-phenylbenzenecarboximidamide?

The InChIKey is RAVSRINATLFVMG-JDURGICDSA-N. The full InChI is InChI=1S/C33H24N4/c1-35-33(24-14-6-3-7-15-24)36-32(34)26-20-25(23-12-4-2-5-13-23)21-27(22-26)37-30-18-10-8-16-28(30)29-17-9-11-19-31(29)37/h2-22,34H,1H2/b34-32-,36-33-/i8D,9D,10D,11D,16D,17D,18D,19D.

What are the key properties of N-[(methylideneamino)-phenylmethylidene]-3-(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)-5-phenylbenzenecarboximidamide?

N-[(methylideneamino)-phenylmethylidene]-3-(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)-5-phenylbenzenecarboximidamide has a molecular weight of 484.63 g/mol, XLogP of 7.92, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(methylideneamino)-phenylmethylidene]-3-(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)-5-phenylbenzenecarboximidamide is sourced from PubChem (CID 170536719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).