6-(4,6-diphenyl-1,3,5-triazin-2-yl)-31-[3-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-pyridinyl]phenyl]-3,34-diphenyl-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

C83H51N11 — CID 88949844

About 6-(4,6-diphenyl-1,3,5-triazin-2-yl)-31-[3-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-pyridinyl]phenyl]-3,34-diphenyl-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)-31-[3-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-pyridinyl]phenyl]-3,34-diphenyl-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 88949844) has the molecular formula C83H51N11 and a molecular weight of 1202.40 g/mol. Its IUPAC name is 6-(4,6-diphenyl-1,3,5-triazin-2-yl)-31-[3-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-pyridinyl]phenyl]-3,34-diphenyl-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)-31-[3-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-pyridinyl]phenyl]-3,34-diphenyl-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: 88949844
• Molecular Formula: C83H51N11
• Molecular Weight: 1202.40 g/mol
• Exact Mass: 1201.43
• IUPAC Name: 6-(4,6-diphenyl-1,3,5-triazin-2-yl)-31-[3-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-pyridinyl]phenyl]-3,34-diphenyl-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(-c2nc(-c3ccccc3)nc(-c3cc(-c4cccc(-n5c6ccccc6c6ccc7c8ccc9c%10ccc%11c%12ccccc%12n(-c%12nc(-c%13ccccc%13)nc(-c%13ccccc%13)n%12)c%11c%10n(-c%10ccccc%10)c9c8n(-c8ccccc8)c7c65)c4)ccn3)n2)cc1
• InChI: InChI=1S/C83H51N11/c1-7-24-52(25-8-1)78-85-79(53-26-9-2-10-27-53)88-82(87-78)69-51-57(48-49-84-69)56-32-23-37-60(50-56)91-70-40-21-19-38-61(70)63-42-44-65-66-46-47-67-68-45-43-64-62-39-20-22-41-71(62)94(83-89-80(54-28-11-3-12-29-54)86-81(90-83)55-30-13-4-14-31-55)77(64)76(68)93(59-35-17-6-18-36-59)75(67)74(66)92(73(65)72(63)91)58-33-15-5-16-34-58/h1-51H
• InChIKey: RTZXKARZDOZBHT-UHFFFAOYSA-N
• XLogP: 19.84
• TPSA: 109.95 Ų
• H-Bond Acceptors: 11
• Rotatable Bonds: 10
• Heavy Atoms: 94
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1202.40
LogP ≤ 5	19.84
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	11

Frequently Asked Questions

What is the IUPAC name of 6-(4,6-diphenyl-1,3,5-triazin-2-yl)-31-[3-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-pyridinyl]phenyl]-3,34-diphenyl-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)-31-[3-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-pyridinyl]phenyl]-3,34-diphenyl-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 88949844) is 6-(4,6-diphenyl-1,3,5-triazin-2-yl)-31-[3-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-pyridinyl]phenyl]-3,34-diphenyl-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)-31-[3-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-pyridinyl]phenyl]-3,34-diphenyl-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)-31-[3-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-pyridinyl]phenyl]-3,34-diphenyl-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(-c2nc(-c3ccccc3)nc(-c3cc(-c4cccc(-n5c6ccccc6c6ccc7c8ccc9c%10ccc%11c%12ccccc%12n(-c%12nc(-c%13ccccc%13)nc(-c%13ccccc%13)n%12)c%11c%10n(-c%10ccccc%10)c9c8n(-c8ccccc8)c7c65)c4)ccn3)n2)cc1.

What is the InChIKey of 6-(4,6-diphenyl-1,3,5-triazin-2-yl)-31-[3-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-pyridinyl]phenyl]-3,34-diphenyl-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 RTZXKARZDOZBHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C83H51N11/c1-7-24-52(25-8-1)78-85-79(53-26-9-2-10-27-53)88-82(87-78)69-51-57(48-49-84-69)56-32-23-37-60(50-56)91-70-40-21-19-38-61(70)63-42-44-65-66-46-47-67-68-45-43-64-62-39-20-22-41-71(62)94(83-89-80(54-28-11-3-12-29-54)86-81(90-83)55-30-13-4-14-31-55)77(64)76(68)93(59-35-17-6-18-36-59)75(67)74(66)92(73(65)72(63)91)58-33-15-5-16-34-58/h1-51H.

What are the key properties of 6-(4,6-diphenyl-1,3,5-triazin-2-yl)-31-[3-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-pyridinyl]phenyl]-3,34-diphenyl-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)-31-[3-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-pyridinyl]phenyl]-3,34-diphenyl-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 1202.40 g/mol, XLogP of 19.84, 10 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 6-(4,6-diphenyl-1,3,5-triazin-2-yl)-31-[3-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-pyridinyl]phenyl]-3,34-diphenyl-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 88949844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).