6-(4,6-diphenyl-1,3,5-triazin-2-yl)-3,34-diphenyl-31-(4-phenylpyrimidin-2-yl)-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

C67H41N9 — CID 88949850

About 6-(4,6-diphenyl-1,3,5-triazin-2-yl)-3,34-diphenyl-31-(4-phenylpyrimidin-2-yl)-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-(4,6-diphenyl-1,3,5-triazin-2-yl)-3,34-diphenyl-31-(4-phenylpyrimidin-2-yl)-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 (PubChem CID 88949850) has the molecular formula C67H41N9 and a molecular weight of 972.13 g/mol. Its IUPAC name is 6-(4,6-diphenyl-1,3,5-triazin-2-yl)-3,34-diphenyl-31-(4-phenylpyrimidin-2-yl)-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.

Molecular Properties

• Compound Name: 6-(4,6-diphenyl-1,3,5-triazin-2-yl)-3,34-diphenyl-31-(4-phenylpyrimidin-2-yl)-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
• PubChem CID: 88949850
• Molecular Formula: C67H41N9
• Molecular Weight: 972.13 g/mol
• Exact Mass: 971.35
• IUPAC Name: 6-(4,6-diphenyl-1,3,5-triazin-2-yl)-3,34-diphenyl-31-(4-phenylpyrimidin-2-yl)-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
• SMILES: c1ccc(-c2ccnc(-n3c4ccccc4c4ccc5c6ccc7c8ccc9c%10ccccc%10n(-c%10nc(-c%11ccccc%11)nc(-c%11ccccc%11)n%10)c9c8n(-c8ccccc8)c7c6n(-c6ccccc6)c5c43)n2)cc1
• InChI: InChI=1S/C67H41N9/c1-6-20-42(21-7-1)55-40-41-68-66(69-55)75-56-32-18-16-30-47(56)49-34-36-53-51-38-39-52-54-37-35-50-48-31-17-19-33-57(48)76(67-71-64(43-22-8-2-9-23-43)70-65(72-67)44-24-10-3-11-25-44)63(50)61(54)74(46-28-14-5-15-29-46)59(52)58(51)73(60(53)62(49)75)45-26-12-4-13-27-45/h1-41H
• InChIKey: AAJPXXUPDGGDKG-UHFFFAOYSA-N
• XLogP: 16.05
• TPSA: 84.17 Ų
• H-Bond Acceptors: 9
• Rotatable Bonds: 7
• Heavy Atoms: 76
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	972.13
LogP ≤ 5	16.05
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 6-(4,6-diphenyl-1,3,5-triazin-2-yl)-3,34-diphenyl-31-(4-phenylpyrimidin-2-yl)-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?

The IUPAC name of 6-(4,6-diphenyl-1,3,5-triazin-2-yl)-3,34-diphenyl-31-(4-phenylpyrimidin-2-yl)-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 (CID 88949850) is 6-(4,6-diphenyl-1,3,5-triazin-2-yl)-3,34-diphenyl-31-(4-phenylpyrimidin-2-yl)-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.

What is the SMILES notation for 6-(4,6-diphenyl-1,3,5-triazin-2-yl)-3,34-diphenyl-31-(4-phenylpyrimidin-2-yl)-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?

The canonical SMILES for 6-(4,6-diphenyl-1,3,5-triazin-2-yl)-3,34-diphenyl-31-(4-phenylpyrimidin-2-yl)-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 is c1ccc(-c2ccnc(-n3c4ccccc4c4ccc5c6ccc7c8ccc9c%10ccccc%10n(-c%10nc(-c%11ccccc%11)nc(-c%11ccccc%11)n%10)c9c8n(-c8ccccc8)c7c6n(-c6ccccc6)c5c43)n2)cc1.

What is the InChIKey of 6-(4,6-diphenyl-1,3,5-triazin-2-yl)-3,34-diphenyl-31-(4-phenylpyrimidin-2-yl)-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?

The InChIKey is AAJPXXUPDGGDKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C67H41N9/c1-6-20-42(21-7-1)55-40-41-68-66(69-55)75-56-32-18-16-30-47(56)49-34-36-53-51-38-39-52-54-37-35-50-48-31-17-19-33-57(48)76(67-71-64(43-22-8-2-9-23-43)70-65(72-67)44-24-10-3-11-25-44)63(50)61(54)74(46-28-14-5-15-29-46)59(52)58(51)73(60(53)62(49)75)45-26-12-4-13-27-45/h1-41H.

What are the key properties of 6-(4,6-diphenyl-1,3,5-triazin-2-yl)-3,34-diphenyl-31-(4-phenylpyrimidin-2-yl)-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-(4,6-diphenyl-1,3,5-triazin-2-yl)-3,34-diphenyl-31-(4-phenylpyrimidin-2-yl)-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 has a molecular weight of 972.13 g/mol, XLogP of 16.05, 7 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 6-(4,6-diphenyl-1,3,5-triazin-2-yl)-3,34-diphenyl-31-(4-phenylpyrimidin-2-yl)-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 is sourced from PubChem (CID 88949850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).