31-(4,6-diphenyl-1,3,5-triazin-2-yl)-3,34-diphenyl-6-(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),7,9,11,14,18,22,24(32),25,27,29-tetradecaene

C67H43N9 — CID 88950415

About 31-(4,6-diphenyl-1,3,5-triazin-2-yl)-3,34-diphenyl-6-(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),7,9,11,14,18,22,24(32),25,27,29-tetradecaene

31-(4,6-diphenyl-1,3,5-triazin-2-yl)-3,34-diphenyl-6-(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),7,9,11,14,18,22,24(32),25,27,29-tetradecaene (PubChem CID 88950415) has the molecular formula C67H43N9 and a molecular weight of 974.14 g/mol. Its IUPAC name is 31-(4,6-diphenyl-1,3,5-triazin-2-yl)-3,34-diphenyl-6-(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),7,9,11,14,18,22,24(32),25,27,29-tetradecaene.

Molecular Properties

• Compound Name: 31-(4,6-diphenyl-1,3,5-triazin-2-yl)-3,34-diphenyl-6-(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),7,9,11,14,18,22,24(32),25,27,29-tetradecaene
• PubChem CID: 88950415
• Molecular Formula: C67H43N9
• Molecular Weight: 974.14 g/mol
• Exact Mass: 973.36
• IUPAC Name: 31-(4,6-diphenyl-1,3,5-triazin-2-yl)-3,34-diphenyl-6-(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),7,9,11,14,18,22,24(32),25,27,29-tetradecaene
• SMILES: C1=CC2c3ccc4c5ccc6c7ccccc7n(-c7nccc(-c8ccccc8)n7)c6c5n(-c5ccccc5)c4c3N(c3ccccc3)C2c2c1c1ccccc1n2-c1nc(-c2ccccc2)nc(-c2ccccc2)n1
• InChI: InChI=1S/C67H43N9/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/h1-41,54,61H
• InChIKey: RCDVECAMHOBHTB-UHFFFAOYSA-N
• XLogP: 15.80
• TPSA: 82.48 Ų
• H-Bond Acceptors: 9
• Rotatable Bonds: 7
• Heavy Atoms: 76
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	974.14
LogP ≤ 5	15.80
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 31-(4,6-diphenyl-1,3,5-triazin-2-yl)-3,34-diphenyl-6-(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),7,9,11,14,18,22,24(32),25,27,29-tetradecaene?

The IUPAC name of 31-(4,6-diphenyl-1,3,5-triazin-2-yl)-3,34-diphenyl-6-(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),7,9,11,14,18,22,24(32),25,27,29-tetradecaene (CID 88950415) is 31-(4,6-diphenyl-1,3,5-triazin-2-yl)-3,34-diphenyl-6-(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),7,9,11,14,18,22,24(32),25,27,29-tetradecaene.

What is the SMILES notation for 31-(4,6-diphenyl-1,3,5-triazin-2-yl)-3,34-diphenyl-6-(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),7,9,11,14,18,22,24(32),25,27,29-tetradecaene?

The canonical SMILES for 31-(4,6-diphenyl-1,3,5-triazin-2-yl)-3,34-diphenyl-6-(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),7,9,11,14,18,22,24(32),25,27,29-tetradecaene is C1=CC2c3ccc4c5ccc6c7ccccc7n(-c7nccc(-c8ccccc8)n7)c6c5n(-c5ccccc5)c4c3N(c3ccccc3)C2c2c1c1ccccc1n2-c1nc(-c2ccccc2)nc(-c2ccccc2)n1.

What is the InChIKey of 31-(4,6-diphenyl-1,3,5-triazin-2-yl)-3,34-diphenyl-6-(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),7,9,11,14,18,22,24(32),25,27,29-tetradecaene?

The InChIKey is RCDVECAMHOBHTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C67H43N9/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/h1-41,54,61H.

What are the key properties of 31-(4,6-diphenyl-1,3,5-triazin-2-yl)-3,34-diphenyl-6-(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),7,9,11,14,18,22,24(32),25,27,29-tetradecaene?

31-(4,6-diphenyl-1,3,5-triazin-2-yl)-3,34-diphenyl-6-(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),7,9,11,14,18,22,24(32),25,27,29-tetradecaene has a molecular weight of 974.14 g/mol, XLogP of 15.80, 7 rotatable bonds, 0 hydrogen bond donors, and 9 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-6-(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),7,9,11,14,18,22,24(32),25,27,29-tetradecaene is sourced from PubChem (CID 88950415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).