N-[amino-[4-[1-[4-[2-[3-[(Z)-[(6Z)-6-ethylidenecyclohexa-2,4-dien-1-ylidene]methyl]buta-1,3-dien-2-ylamino]-1-(1-naphthalen-2-ylethylideneamino)ethyl]phenyl]cyclohexyl]phenyl]methylidene]-N'-(5,6-dihydronaphthalen-2-ylmethyl)-4-ethenyl-3-[(Z)-prop-1-enyl]benzenecarboximidamide

C69H69N5 — CID 146384900

About N-[amino-[4-[1-[4-[2-[3-[(Z)-[(6Z)-6-ethylidenecyclohexa-2,4-dien-1-ylidene]methyl]buta-1,3-dien-2-ylamino]-1-(1-naphthalen-2-ylethylideneamino)ethyl]phenyl]cyclohexyl]phenyl]methylidene]-N'-(5,6-dihydronaphthalen-2-ylmethyl)-4-ethenyl-3-[(Z)-prop-1-enyl]benzenecarboximidamide

N-[amino-[4-[1-[4-[2-[3-[(Z)-[(6Z)-6-ethylidenecyclohexa-2,4-dien-1-ylidene]methyl]buta-1,3-dien-2-ylamino]-1-(1-naphthalen-2-ylethylideneamino)ethyl]phenyl]cyclohexyl]phenyl]methylidene]-N'-(5,6-dihydronaphthalen-2-ylmethyl)-4-ethenyl-3-[(Z)-prop-1-enyl]benzenecarboximidamide (PubChem CID 146384900) has the molecular formula C69H69N5 and a molecular weight of 968.35 g/mol. Its IUPAC name is N-[amino-[4-[1-[4-[2-[3-[(Z)-[(6Z)-6-ethylidenecyclohexa-2,4-dien-1-ylidene]methyl]buta-1,3-dien-2-ylamino]-1-(1-naphthalen-2-ylethylideneamino)ethyl]phenyl]cyclohexyl]phenyl]methylidene]-N'-(5,6-dihydronaphthalen-2-ylmethyl)-4-ethenyl-3-[(Z)-prop-1-enyl]benzenecarboximidamide.

Molecular Properties

• Compound Name: N-[amino-[4-[1-[4-[2-[3-[(Z)-[(6Z)-6-ethylidenecyclohexa-2,4-dien-1-ylidene]methyl]buta-1,3-dien-2-ylamino]-1-(1-naphthalen-2-ylethylideneamino)ethyl]phenyl]cyclohexyl]phenyl]methylidene]-N'-(5,6-dihydronaphthalen-2-ylmethyl)-4-ethenyl-3-[(Z)-prop-1-enyl]benzenecarboximidamide
• PubChem CID: 146384900
• Molecular Formula: C69H69N5
• Molecular Weight: 968.35 g/mol
• Exact Mass: 967.56
• IUPAC Name: N-[amino-[4-[1-[4-[2-[3-[(Z)-[(6Z)-6-ethylidenecyclohexa-2,4-dien-1-ylidene]methyl]buta-1,3-dien-2-ylamino]-1-(1-naphthalen-2-ylethylideneamino)ethyl]phenyl]cyclohexyl]phenyl]methylidene]-N'-(5,6-dihydronaphthalen-2-ylmethyl)-4-ethenyl-3-[(Z)-prop-1-enyl]benzenecarboximidamide
• SMILES: C=Cc1ccc(C(/N=C(\N)c2ccc(C3(c4ccc(C(CNC(=C)C(=C)/C=c5/cccc/c5=C/C)/N=C(\C)c5ccc6ccccc6c5)cc4)CCCCC3)cc2)=N\Cc2ccc3c(c2)C=CCC3)cc1/C=C\C
• InChI: InChI=1S/C69H69N5/c1-7-19-59-45-63(31-28-53(59)9-3)68(72-46-51-26-27-54-21-12-15-24-61(54)43-51)74-67(70)57-34-38-65(39-35-57)69(40-17-10-18-41-69)64-36-32-56(33-37-64)66(73-50(6)58-30-29-55-22-13-16-25-62(55)44-58)47-71-49(5)48(4)42-60-23-14-11-20-52(60)8-2/h7-9,11,13-16,19-20,22-39,42-45,66,71H,3-5,10,12,17-18,21,40-41,46-47H2,1-2,6H3,(H2,70,72,74)/b19-7-,52-8-,60-42-,73-50+
• InChIKey: GUOFNWHMRZHBIE-YEPLQRRKSA-N
• XLogP: 14.57
• TPSA: 75.13 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 3
• Rotatable Bonds: 16
• Heavy Atoms: 74
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	968.35
LogP ≤ 5	14.57
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[amino-[4-[1-[4-[2-[3-[(Z)-[(6Z)-6-ethylidenecyclohexa-2,4-dien-1-ylidene]methyl]buta-1,3-dien-2-ylamino]-1-(1-naphthalen-2-ylethylideneamino)ethyl]phenyl]cyclohexyl]phenyl]methylidene]-N'-(5,6-dihydronaphthalen-2-ylmethyl)-4-ethenyl-3-[(Z)-prop-1-enyl]benzenecarboximidamide?

The IUPAC name of N-[amino-[4-[1-[4-[2-[3-[(Z)-[(6Z)-6-ethylidenecyclohexa-2,4-dien-1-ylidene]methyl]buta-1,3-dien-2-ylamino]-1-(1-naphthalen-2-ylethylideneamino)ethyl]phenyl]cyclohexyl]phenyl]methylidene]-N'-(5,6-dihydronaphthalen-2-ylmethyl)-4-ethenyl-3-[(Z)-prop-1-enyl]benzenecarboximidamide (CID 146384900) is N-[amino-[4-[1-[4-[2-[3-[(Z)-[(6Z)-6-ethylidenecyclohexa-2,4-dien-1-ylidene]methyl]buta-1,3-dien-2-ylamino]-1-(1-naphthalen-2-ylethylideneamino)ethyl]phenyl]cyclohexyl]phenyl]methylidene]-N'-(5,6-dihydronaphthalen-2-ylmethyl)-4-ethenyl-3-[(Z)-prop-1-enyl]benzenecarboximidamide.

What is the SMILES notation for N-[amino-[4-[1-[4-[2-[3-[(Z)-[(6Z)-6-ethylidenecyclohexa-2,4-dien-1-ylidene]methyl]buta-1,3-dien-2-ylamino]-1-(1-naphthalen-2-ylethylideneamino)ethyl]phenyl]cyclohexyl]phenyl]methylidene]-N'-(5,6-dihydronaphthalen-2-ylmethyl)-4-ethenyl-3-[(Z)-prop-1-enyl]benzenecarboximidamide?

The canonical SMILES for N-[amino-[4-[1-[4-[2-[3-[(Z)-[(6Z)-6-ethylidenecyclohexa-2,4-dien-1-ylidene]methyl]buta-1,3-dien-2-ylamino]-1-(1-naphthalen-2-ylethylideneamino)ethyl]phenyl]cyclohexyl]phenyl]methylidene]-N'-(5,6-dihydronaphthalen-2-ylmethyl)-4-ethenyl-3-[(Z)-prop-1-enyl]benzenecarboximidamide is C=Cc1ccc(C(/N=C(\N)c2ccc(C3(c4ccc(C(CNC(=C)C(=C)/C=c5/cccc/c5=C/C)/N=C(\C)c5ccc6ccccc6c5)cc4)CCCCC3)cc2)=N\Cc2ccc3c(c2)C=CCC3)cc1/C=C\C.

What is the InChIKey of N-[amino-[4-[1-[4-[2-[3-[(Z)-[(6Z)-6-ethylidenecyclohexa-2,4-dien-1-ylidene]methyl]buta-1,3-dien-2-ylamino]-1-(1-naphthalen-2-ylethylideneamino)ethyl]phenyl]cyclohexyl]phenyl]methylidene]-N'-(5,6-dihydronaphthalen-2-ylmethyl)-4-ethenyl-3-[(Z)-prop-1-enyl]benzenecarboximidamide?

The InChIKey is GUOFNWHMRZHBIE-YEPLQRRKSA-N. The full InChI is InChI=1S/C69H69N5/c1-7-19-59-45-63(31-28-53(59)9-3)68(72-46-51-26-27-54-21-12-15-24-61(54)43-51)74-67(70)57-34-38-65(39-35-57)69(40-17-10-18-41-69)64-36-32-56(33-37-64)66(73-50(6)58-30-29-55-22-13-16-25-62(55)44-58)47-71-49(5)48(4)42-60-23-14-11-20-52(60)8-2/h7-9,11,13-16,19-20,22-39,42-45,66,71H,3-5,10,12,17-18,21,40-41,46-47H2,1-2,6H3,(H2,70,72,74)/b19-7-,52-8-,60-42-,73-50+.

What are the key properties of N-[amino-[4-[1-[4-[2-[3-[(Z)-[(6Z)-6-ethylidenecyclohexa-2,4-dien-1-ylidene]methyl]buta-1,3-dien-2-ylamino]-1-(1-naphthalen-2-ylethylideneamino)ethyl]phenyl]cyclohexyl]phenyl]methylidene]-N'-(5,6-dihydronaphthalen-2-ylmethyl)-4-ethenyl-3-[(Z)-prop-1-enyl]benzenecarboximidamide?

N-[amino-[4-[1-[4-[2-[3-[(Z)-[(6Z)-6-ethylidenecyclohexa-2,4-dien-1-ylidene]methyl]buta-1,3-dien-2-ylamino]-1-(1-naphthalen-2-ylethylideneamino)ethyl]phenyl]cyclohexyl]phenyl]methylidene]-N'-(5,6-dihydronaphthalen-2-ylmethyl)-4-ethenyl-3-[(Z)-prop-1-enyl]benzenecarboximidamide has a molecular weight of 968.35 g/mol, XLogP of 14.57, 16 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for N-[amino-[4-[1-[4-[2-[3-[(Z)-[(6Z)-6-ethylidenecyclohexa-2,4-dien-1-ylidene]methyl]buta-1,3-dien-2-ylamino]-1-(1-naphthalen-2-ylethylideneamino)ethyl]phenyl]cyclohexyl]phenyl]methylidene]-N'-(5,6-dihydronaphthalen-2-ylmethyl)-4-ethenyl-3-[(Z)-prop-1-enyl]benzenecarboximidamide is sourced from PubChem (CID 146384900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).