3'-[(6Z,8Z)-12'-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-methylidenespiro[10H-benzo[9]annulene-11,7'-indeno[1,2-a]carbazole]-3'-yl]-N'-[C-phenyl-N-(1-phenylethenyl)carbonimidoyl]spiro[fluorene-9,7'-indeno[1,2-a]carbazole]-12'-carboximidamide

C94H62N8 — CID 118613563

About 3'-[(6Z,8Z)-12'-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-methylidenespiro[10H-benzo[9]annulene-11,7'-indeno[1,2-a]carbazole]-3'-yl]-N'-[C-phenyl-N-(1-phenylethenyl)carbonimidoyl]spiro[fluorene-9,7'-indeno[1,2-a]carbazole]-12'-carboximidamide

3'-[(6Z,8Z)-12'-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-methylidenespiro[10H-benzo[9]annulene-11,7'-indeno[1,2-a]carbazole]-3'-yl]-N'-[C-phenyl-N-(1-phenylethenyl)carbonimidoyl]spiro[fluorene-9,7'-indeno[1,2-a]carbazole]-12'-carboximidamide (PubChem CID 118613563) has the molecular formula C94H62N8 and a molecular weight of 1303.59 g/mol. Its IUPAC name is 3'-[(6Z,8Z)-12'-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-methylidenespiro[10H-benzo[9]annulene-11,7'-indeno[1,2-a]carbazole]-3'-yl]-N'-[C-phenyl-N-(1-phenylethenyl)carbonimidoyl]spiro[fluorene-9,7'-indeno[1,2-a]carbazole]-12'-carboximidamide.

Molecular Properties

• Compound Name: 3'-[(6Z,8Z)-12'-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-methylidenespiro[10H-benzo[9]annulene-11,7'-indeno[1,2-a]carbazole]-3'-yl]-N'-[C-phenyl-N-(1-phenylethenyl)carbonimidoyl]spiro[fluorene-9,7'-indeno[1,2-a]carbazole]-12'-carboximidamide
• PubChem CID: 118613563
• Molecular Formula: C94H62N8
• Molecular Weight: 1303.59 g/mol
• Exact Mass: 1302.51
• IUPAC Name: 3'-[(6Z,8Z)-12'-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-methylidenespiro[10H-benzo[9]annulene-11,7'-indeno[1,2-a]carbazole]-3'-yl]-N'-[C-phenyl-N-(1-phenylethenyl)carbonimidoyl]spiro[fluorene-9,7'-indeno[1,2-a]carbazole]-12'-carboximidamide
• SMILES: C=C(/N=C(/N=C(\N)n1c2ccc(-c3ccc4c(c3)c3ccc5c(c3n4-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)-c3ccccc3C53C/C=C\C=C/C(=C)c4ccccc43)cc2c2ccc3c(c21)-c1ccccc1C31c2ccccc2-c2ccccc21)c1ccccc1)c1ccccc1
• InChI: InChI=1S/C94H62N8/c1-58-28-8-7-27-55-93(75-42-22-17-37-66(58)75)76-43-23-20-40-71(76)84-80(93)51-49-70-74-57-65(48-54-83(74)102(87(70)84)92-99-89(62-33-13-5-14-34-62)97-90(100-92)63-35-15-6-16-36-63)64-47-53-82-73(56-64)69-50-52-81-85(72-41-21-26-46-79(72)94(81)77-44-24-18-38-67(77)68-39-19-25-45-78(68)94)86(69)101(82)91(95)98-88(61-31-11-4-12-32-61)96-59(2)60-29-9-3-10-30-60/h3-54,56-57H,1-2,55H2,(H2,95,96,98)/b27-7-,28-8-
• InChIKey: MZLAJVRIZXEVFY-LFYYPXOLSA-N
• XLogP: 21.55
• TPSA: 99.27 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 102
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1303.59
LogP ≤ 5	21.55
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

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 3'-[(6Z,8Z)-12'-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-methylidenespiro[10H-benzo[9]annulene-11,7'-indeno[1,2-a]carbazole]-3'-yl]-N'-[C-phenyl-N-(1-phenylethenyl)carbonimidoyl]spiro[fluorene-9,7'-indeno[1,2-a]carbazole]-12'-carboximidamide?

The IUPAC name of 3'-[(6Z,8Z)-12'-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-methylidenespiro[10H-benzo[9]annulene-11,7'-indeno[1,2-a]carbazole]-3'-yl]-N'-[C-phenyl-N-(1-phenylethenyl)carbonimidoyl]spiro[fluorene-9,7'-indeno[1,2-a]carbazole]-12'-carboximidamide (CID 118613563) is 3'-[(6Z,8Z)-12'-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-methylidenespiro[10H-benzo[9]annulene-11,7'-indeno[1,2-a]carbazole]-3'-yl]-N'-[C-phenyl-N-(1-phenylethenyl)carbonimidoyl]spiro[fluorene-9,7'-indeno[1,2-a]carbazole]-12'-carboximidamide.

What is the SMILES notation for 3'-[(6Z,8Z)-12'-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-methylidenespiro[10H-benzo[9]annulene-11,7'-indeno[1,2-a]carbazole]-3'-yl]-N'-[C-phenyl-N-(1-phenylethenyl)carbonimidoyl]spiro[fluorene-9,7'-indeno[1,2-a]carbazole]-12'-carboximidamide?

The canonical SMILES for 3'-[(6Z,8Z)-12'-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-methylidenespiro[10H-benzo[9]annulene-11,7'-indeno[1,2-a]carbazole]-3'-yl]-N'-[C-phenyl-N-(1-phenylethenyl)carbonimidoyl]spiro[fluorene-9,7'-indeno[1,2-a]carbazole]-12'-carboximidamide is C=C(/N=C(/N=C(\N)n1c2ccc(-c3ccc4c(c3)c3ccc5c(c3n4-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)-c3ccccc3C53C/C=C\C=C/C(=C)c4ccccc43)cc2c2ccc3c(c21)-c1ccccc1C31c2ccccc2-c2ccccc21)c1ccccc1)c1ccccc1.

What is the InChIKey of 3'-[(6Z,8Z)-12'-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-methylidenespiro[10H-benzo[9]annulene-11,7'-indeno[1,2-a]carbazole]-3'-yl]-N'-[C-phenyl-N-(1-phenylethenyl)carbonimidoyl]spiro[fluorene-9,7'-indeno[1,2-a]carbazole]-12'-carboximidamide?

The InChIKey is MZLAJVRIZXEVFY-LFYYPXOLSA-N. The full InChI is InChI=1S/C94H62N8/c1-58-28-8-7-27-55-93(75-42-22-17-37-66(58)75)76-43-23-20-40-71(76)84-80(93)51-49-70-74-57-65(48-54-83(74)102(87(70)84)92-99-89(62-33-13-5-14-34-62)97-90(100-92)63-35-15-6-16-36-63)64-47-53-82-73(56-64)69-50-52-81-85(72-41-21-26-46-79(72)94(81)77-44-24-18-38-67(77)68-39-19-25-45-78(68)94)86(69)101(82)91(95)98-88(61-31-11-4-12-32-61)96-59(2)60-29-9-3-10-30-60/h3-54,56-57H,1-2,55H2,(H2,95,96,98)/b27-7-,28-8-.

What are the key properties of 3'-[(6Z,8Z)-12'-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-methylidenespiro[10H-benzo[9]annulene-11,7'-indeno[1,2-a]carbazole]-3'-yl]-N'-[C-phenyl-N-(1-phenylethenyl)carbonimidoyl]spiro[fluorene-9,7'-indeno[1,2-a]carbazole]-12'-carboximidamide?

3'-[(6Z,8Z)-12'-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-methylidenespiro[10H-benzo[9]annulene-11,7'-indeno[1,2-a]carbazole]-3'-yl]-N'-[C-phenyl-N-(1-phenylethenyl)carbonimidoyl]spiro[fluorene-9,7'-indeno[1,2-a]carbazole]-12'-carboximidamide has a molecular weight of 1303.59 g/mol, XLogP of 21.55, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 3'-[(6Z,8Z)-12'-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-methylidenespiro[10H-benzo[9]annulene-11,7'-indeno[1,2-a]carbazole]-3'-yl]-N'-[C-phenyl-N-(1-phenylethenyl)carbonimidoyl]spiro[fluorene-9,7'-indeno[1,2-a]carbazole]-12'-carboximidamide is sourced from PubChem (CID 118613563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).