N-[(benzylideneamino)-phenylmethylidene]-5-phenyl-2-(14-phenyl-9-thia-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaen-6-yl)benzenecarboximidamide

C51H34N4S — CID 171771566

About N-[(benzylideneamino)-phenylmethylidene]-5-phenyl-2-(14-phenyl-9-thia-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaen-6-yl)benzenecarboximidamide

N-[(benzylideneamino)-phenylmethylidene]-5-phenyl-2-(14-phenyl-9-thia-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaen-6-yl)benzenecarboximidamide (PubChem CID 171771566) has the molecular formula C51H34N4S and a molecular weight of 734.93 g/mol. Its IUPAC name is N-[(benzylideneamino)-phenylmethylidene]-5-phenyl-2-(14-phenyl-9-thia-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaen-6-yl)benzenecarboximidamide.

Molecular Properties

• Compound Name: N-[(benzylideneamino)-phenylmethylidene]-5-phenyl-2-(14-phenyl-9-thia-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaen-6-yl)benzenecarboximidamide
• PubChem CID: 171771566
• Molecular Formula: C51H34N4S
• Molecular Weight: 734.93 g/mol
• Exact Mass: 734.25
• IUPAC Name: N-[(benzylideneamino)-phenylmethylidene]-5-phenyl-2-(14-phenyl-9-thia-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaen-6-yl)benzenecarboximidamide
• SMILES: [H]/N=C(\N=C(/N=C/c1ccccc1)c1ccccc1)c1cc(-c2ccccc2)ccc1-c1ccc2c(c1)sc1ccc3c(c4ccccc4n3-c3ccccc3)c12
• InChI: InChI=1S/C51H34N4S/c52-50(54-51(36-19-9-3-10-20-36)53-33-34-15-5-1-6-16-34)43-31-37(35-17-7-2-8-18-35)25-27-40(43)38-26-28-42-47(32-38)56-46-30-29-45-48(49(42)46)41-23-13-14-24-44(41)55(45)39-21-11-4-12-22-39/h1-33,52H/b52-50-,53-33+,54-51-
• InChIKey: FEEJFVNQECPAMQ-LYKQMDNGSA-N
• XLogP: 13.38
• TPSA: 53.50 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 6
• Heavy Atoms: 56
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	734.93
LogP ≤ 5	13.38
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

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-[(benzylideneamino)-phenylmethylidene]-5-phenyl-2-(14-phenyl-9-thia-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaen-6-yl)benzenecarboximidamide?

The IUPAC name of N-[(benzylideneamino)-phenylmethylidene]-5-phenyl-2-(14-phenyl-9-thia-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaen-6-yl)benzenecarboximidamide (CID 171771566) is N-[(benzylideneamino)-phenylmethylidene]-5-phenyl-2-(14-phenyl-9-thia-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaen-6-yl)benzenecarboximidamide.

What is the SMILES notation for N-[(benzylideneamino)-phenylmethylidene]-5-phenyl-2-(14-phenyl-9-thia-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaen-6-yl)benzenecarboximidamide?

The canonical SMILES for N-[(benzylideneamino)-phenylmethylidene]-5-phenyl-2-(14-phenyl-9-thia-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaen-6-yl)benzenecarboximidamide is [H]/N=C(\N=C(/N=C/c1ccccc1)c1ccccc1)c1cc(-c2ccccc2)ccc1-c1ccc2c(c1)sc1ccc3c(c4ccccc4n3-c3ccccc3)c12.

What is the InChIKey of N-[(benzylideneamino)-phenylmethylidene]-5-phenyl-2-(14-phenyl-9-thia-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaen-6-yl)benzenecarboximidamide?

The InChIKey is FEEJFVNQECPAMQ-LYKQMDNGSA-N. The full InChI is InChI=1S/C51H34N4S/c52-50(54-51(36-19-9-3-10-20-36)53-33-34-15-5-1-6-16-34)43-31-37(35-17-7-2-8-18-35)25-27-40(43)38-26-28-42-47(32-38)56-46-30-29-45-48(49(42)46)41-23-13-14-24-44(41)55(45)39-21-11-4-12-22-39/h1-33,52H/b52-50-,53-33+,54-51-.

What are the key properties of N-[(benzylideneamino)-phenylmethylidene]-5-phenyl-2-(14-phenyl-9-thia-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaen-6-yl)benzenecarboximidamide?

N-[(benzylideneamino)-phenylmethylidene]-5-phenyl-2-(14-phenyl-9-thia-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaen-6-yl)benzenecarboximidamide has a molecular weight of 734.93 g/mol, XLogP of 13.38, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(benzylideneamino)-phenylmethylidene]-5-phenyl-2-(14-phenyl-9-thia-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaen-6-yl)benzenecarboximidamide is sourced from PubChem (CID 171771566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).