31-(4,6-diphenyl-1,3,5-triazin-2-yl)-3,34-diphenyl-N'-[C-phenyl-N-(1-phenylethenyl)carbonimidoyl]-3,6,31,34-tetrazanonacyclo[18.14.0.02,17.04,16.05,13.07,12.021,33.024,32.025,30]tetratriaconta-1(20),2(17),4(16),5(13),7,9,11,14,18,21(33),22,24(32),25,27,29-pentadecaene-6-carboximidamide

C73H48N10 — CID 89303822

About 31-(4,6-diphenyl-1,3,5-triazin-2-yl)-3,34-diphenyl-N'-[C-phenyl-N-(1-phenylethenyl)carbonimidoyl]-3,6,31,34-tetrazanonacyclo[18.14.0.02,17.04,16.05,13.07,12.021,33.024,32.025,30]tetratriaconta-1(20),2(17),4(16),5(13),7,9,11,14,18,21(33),22,24(32),25,27,29-pentadecaene-6-carboximidamide

31-(4,6-diphenyl-1,3,5-triazin-2-yl)-3,34-diphenyl-N'-[C-phenyl-N-(1-phenylethenyl)carbonimidoyl]-3,6,31,34-tetrazanonacyclo[18.14.0.02,17.04,16.05,13.07,12.021,33.024,32.025,30]tetratriaconta-1(20),2(17),4(16),5(13),7,9,11,14,18,21(33),22,24(32),25,27,29-pentadecaene-6-carboximidamide (PubChem CID 89303822) has the molecular formula C73H48N10 and a molecular weight of 1065.26 g/mol. Its IUPAC name is 31-(4,6-diphenyl-1,3,5-triazin-2-yl)-3,34-diphenyl-N'-[C-phenyl-N-(1-phenylethenyl)carbonimidoyl]-3,6,31,34-tetrazanonacyclo[18.14.0.02,17.04,16.05,13.07,12.021,33.024,32.025,30]tetratriaconta-1(20),2(17),4(16),5(13),7,9,11,14,18,21(33),22,24(32),25,27,29-pentadecaene-6-carboximidamide.

Molecular Properties

• Compound Name: 31-(4,6-diphenyl-1,3,5-triazin-2-yl)-3,34-diphenyl-N'-[C-phenyl-N-(1-phenylethenyl)carbonimidoyl]-3,6,31,34-tetrazanonacyclo[18.14.0.02,17.04,16.05,13.07,12.021,33.024,32.025,30]tetratriaconta-1(20),2(17),4(16),5(13),7,9,11,14,18,21(33),22,24(32),25,27,29-pentadecaene-6-carboximidamide
• PubChem CID: 89303822
• Molecular Formula: C73H48N10
• Molecular Weight: 1065.26 g/mol
• Exact Mass: 1064.41
• IUPAC Name: 31-(4,6-diphenyl-1,3,5-triazin-2-yl)-3,34-diphenyl-N'-[C-phenyl-N-(1-phenylethenyl)carbonimidoyl]-3,6,31,34-tetrazanonacyclo[18.14.0.02,17.04,16.05,13.07,12.021,33.024,32.025,30]tetratriaconta-1(20),2(17),4(16),5(13),7,9,11,14,18,21(33),22,24(32),25,27,29-pentadecaene-6-carboximidamide
• SMILES: C=C(/N=C(/N=C(/N)n1c2ccccc2c2ccc3c4ccc5c6ccc7c8ccccc8n(-c8nc(-c9ccccc9)nc(-c9ccccc9)n8)c7c6n(-c6ccccc6)c5c4n(-c4ccccc4)c3c21)c1ccccc1)c1ccccc1
• InChI: InChI=1S/C73H48N10/c1-46(47-24-8-2-9-25-47)75-69(48-26-10-3-11-27-48)77-72(74)82-61-38-22-20-36-53(61)55-40-42-59-57-44-45-58-60-43-41-56-54-37-21-23-39-62(54)83(73-78-70(49-28-12-4-13-29-49)76-71(79-73)50-30-14-5-15-31-50)68(56)66(60)81(52-34-18-7-19-35-52)64(58)63(57)80(65(59)67(55)82)51-32-16-6-17-33-51/h2-45H,1H2,(H2,74,75,77)
• InChIKey: ICVGDIIBLVATOW-UHFFFAOYSA-N
• XLogP: 16.89
• TPSA: 109.13 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 8
• Heavy Atoms: 83
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1065.26
LogP ≤ 5	16.89
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

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 31-(4,6-diphenyl-1,3,5-triazin-2-yl)-3,34-diphenyl-N'-[C-phenyl-N-(1-phenylethenyl)carbonimidoyl]-3,6,31,34-tetrazanonacyclo[18.14.0.02,17.04,16.05,13.07,12.021,33.024,32.025,30]tetratriaconta-1(20),2(17),4(16),5(13),7,9,11,14,18,21(33),22,24(32),25,27,29-pentadecaene-6-carboximidamide?

The IUPAC name of 31-(4,6-diphenyl-1,3,5-triazin-2-yl)-3,34-diphenyl-N'-[C-phenyl-N-(1-phenylethenyl)carbonimidoyl]-3,6,31,34-tetrazanonacyclo[18.14.0.02,17.04,16.05,13.07,12.021,33.024,32.025,30]tetratriaconta-1(20),2(17),4(16),5(13),7,9,11,14,18,21(33),22,24(32),25,27,29-pentadecaene-6-carboximidamide (CID 89303822) is 31-(4,6-diphenyl-1,3,5-triazin-2-yl)-3,34-diphenyl-N'-[C-phenyl-N-(1-phenylethenyl)carbonimidoyl]-3,6,31,34-tetrazanonacyclo[18.14.0.02,17.04,16.05,13.07,12.021,33.024,32.025,30]tetratriaconta-1(20),2(17),4(16),5(13),7,9,11,14,18,21(33),22,24(32),25,27,29-pentadecaene-6-carboximidamide.

What is the SMILES notation for 31-(4,6-diphenyl-1,3,5-triazin-2-yl)-3,34-diphenyl-N'-[C-phenyl-N-(1-phenylethenyl)carbonimidoyl]-3,6,31,34-tetrazanonacyclo[18.14.0.02,17.04,16.05,13.07,12.021,33.024,32.025,30]tetratriaconta-1(20),2(17),4(16),5(13),7,9,11,14,18,21(33),22,24(32),25,27,29-pentadecaene-6-carboximidamide?

The canonical SMILES for 31-(4,6-diphenyl-1,3,5-triazin-2-yl)-3,34-diphenyl-N'-[C-phenyl-N-(1-phenylethenyl)carbonimidoyl]-3,6,31,34-tetrazanonacyclo[18.14.0.02,17.04,16.05,13.07,12.021,33.024,32.025,30]tetratriaconta-1(20),2(17),4(16),5(13),7,9,11,14,18,21(33),22,24(32),25,27,29-pentadecaene-6-carboximidamide is C=C(/N=C(/N=C(/N)n1c2ccccc2c2ccc3c4ccc5c6ccc7c8ccccc8n(-c8nc(-c9ccccc9)nc(-c9ccccc9)n8)c7c6n(-c6ccccc6)c5c4n(-c4ccccc4)c3c21)c1ccccc1)c1ccccc1.

What is the InChIKey of 31-(4,6-diphenyl-1,3,5-triazin-2-yl)-3,34-diphenyl-N'-[C-phenyl-N-(1-phenylethenyl)carbonimidoyl]-3,6,31,34-tetrazanonacyclo[18.14.0.02,17.04,16.05,13.07,12.021,33.024,32.025,30]tetratriaconta-1(20),2(17),4(16),5(13),7,9,11,14,18,21(33),22,24(32),25,27,29-pentadecaene-6-carboximidamide?

The InChIKey is ICVGDIIBLVATOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C73H48N10/c1-46(47-24-8-2-9-25-47)75-69(48-26-10-3-11-27-48)77-72(74)82-61-38-22-20-36-53(61)55-40-42-59-57-44-45-58-60-43-41-56-54-37-21-23-39-62(54)83(73-78-70(49-28-12-4-13-29-49)76-71(79-73)50-30-14-5-15-31-50)68(56)66(60)81(52-34-18-7-19-35-52)64(58)63(57)80(65(59)67(55)82)51-32-16-6-17-33-51/h2-45H,1H2,(H2,74,75,77).

What are the key properties of 31-(4,6-diphenyl-1,3,5-triazin-2-yl)-3,34-diphenyl-N'-[C-phenyl-N-(1-phenylethenyl)carbonimidoyl]-3,6,31,34-tetrazanonacyclo[18.14.0.02,17.04,16.05,13.07,12.021,33.024,32.025,30]tetratriaconta-1(20),2(17),4(16),5(13),7,9,11,14,18,21(33),22,24(32),25,27,29-pentadecaene-6-carboximidamide?

31-(4,6-diphenyl-1,3,5-triazin-2-yl)-3,34-diphenyl-N'-[C-phenyl-N-(1-phenylethenyl)carbonimidoyl]-3,6,31,34-tetrazanonacyclo[18.14.0.02,17.04,16.05,13.07,12.021,33.024,32.025,30]tetratriaconta-1(20),2(17),4(16),5(13),7,9,11,14,18,21(33),22,24(32),25,27,29-pentadecaene-6-carboximidamide has a molecular weight of 1065.26 g/mol, XLogP of 16.89, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 31-(4,6-diphenyl-1,3,5-triazin-2-yl)-3,34-diphenyl-N'-[C-phenyl-N-(1-phenylethenyl)carbonimidoyl]-3,6,31,34-tetrazanonacyclo[18.14.0.02,17.04,16.05,13.07,12.021,33.024,32.025,30]tetratriaconta-1(20),2(17),4(16),5(13),7,9,11,14,18,21(33),22,24(32),25,27,29-pentadecaene-6-carboximidamide is sourced from PubChem (CID 89303822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).