10-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2,3-dihydronaphthalen-1-yl]-1,10-diazaoctacyclo[17.10.1.02,18.03,11.04,9.012,17.023,30.024,29]triaconta-2(18),3(11),4,6,8,12,14,16,19,21,23(30),24,26,28-tetradecaene

C53H33N5 — CID 149471506

About 10-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2,3-dihydronaphthalen-1-yl]-1,10-diazaoctacyclo[17.10.1.02,18.03,11.04,9.012,17.023,30.024,29]triaconta-2(18),3(11),4,6,8,12,14,16,19,21,23(30),24,26,28-tetradecaene

10-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2,3-dihydronaphthalen-1-yl]-1,10-diazaoctacyclo[17.10.1.02,18.03,11.04,9.012,17.023,30.024,29]triaconta-2(18),3(11),4,6,8,12,14,16,19,21,23(30),24,26,28-tetradecaene (PubChem CID 149471506) has the molecular formula C53H33N5 and a molecular weight of 739.88 g/mol. Its IUPAC name is 10-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2,3-dihydronaphthalen-1-yl]-1,10-diazaoctacyclo[17.10.1.02,18.03,11.04,9.012,17.023,30.024,29]triaconta-2(18),3(11),4,6,8,12,14,16,19,21,23(30),24,26,28-tetradecaene.

Molecular Properties

• Compound Name: 10-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2,3-dihydronaphthalen-1-yl]-1,10-diazaoctacyclo[17.10.1.02,18.03,11.04,9.012,17.023,30.024,29]triaconta-2(18),3(11),4,6,8,12,14,16,19,21,23(30),24,26,28-tetradecaene
• PubChem CID: 149471506
• Molecular Formula: C53H33N5
• Molecular Weight: 739.88 g/mol
• Exact Mass: 739.27
• IUPAC Name: 10-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2,3-dihydronaphthalen-1-yl]-1,10-diazaoctacyclo[17.10.1.02,18.03,11.04,9.012,17.023,30.024,29]triaconta-2(18),3(11),4,6,8,12,14,16,19,21,23(30),24,26,28-tetradecaene
• SMILES: c1ccc(-c2nc(C3=c4ccccc4=C(n4c5ccccc5c5c4c4ccccc4c4c6cccc7c8ccccc8n(c76)c45)CC3)nc(-c3ccccc3)n2)cc1
• InChI: InChI=1S/C53H33N5/c1-3-16-32(17-4-1)51-54-52(33-18-5-2-6-19-33)56-53(55-51)40-30-31-45(35-21-8-7-20-34(35)40)57-44-29-14-12-25-41(44)47-49(57)39-24-10-9-23-37(39)46-42-27-15-26-38-36-22-11-13-28-43(36)58(48(38)42)50(46)47/h1-29H,30-31H2
• InChIKey: ZBLJJZRSUJPFBA-UHFFFAOYSA-N
• XLogP: 11.27
• TPSA: 48.01 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 58
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	739.88
LogP ≤ 5	11.27
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 10-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2,3-dihydronaphthalen-1-yl]-1,10-diazaoctacyclo[17.10.1.02,18.03,11.04,9.012,17.023,30.024,29]triaconta-2(18),3(11),4,6,8,12,14,16,19,21,23(30),24,26,28-tetradecaene?

The IUPAC name of 10-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2,3-dihydronaphthalen-1-yl]-1,10-diazaoctacyclo[17.10.1.02,18.03,11.04,9.012,17.023,30.024,29]triaconta-2(18),3(11),4,6,8,12,14,16,19,21,23(30),24,26,28-tetradecaene (CID 149471506) is 10-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2,3-dihydronaphthalen-1-yl]-1,10-diazaoctacyclo[17.10.1.02,18.03,11.04,9.012,17.023,30.024,29]triaconta-2(18),3(11),4,6,8,12,14,16,19,21,23(30),24,26,28-tetradecaene.

What is the SMILES notation for 10-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2,3-dihydronaphthalen-1-yl]-1,10-diazaoctacyclo[17.10.1.02,18.03,11.04,9.012,17.023,30.024,29]triaconta-2(18),3(11),4,6,8,12,14,16,19,21,23(30),24,26,28-tetradecaene?

The canonical SMILES for 10-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2,3-dihydronaphthalen-1-yl]-1,10-diazaoctacyclo[17.10.1.02,18.03,11.04,9.012,17.023,30.024,29]triaconta-2(18),3(11),4,6,8,12,14,16,19,21,23(30),24,26,28-tetradecaene is c1ccc(-c2nc(C3=c4ccccc4=C(n4c5ccccc5c5c4c4ccccc4c4c6cccc7c8ccccc8n(c76)c45)CC3)nc(-c3ccccc3)n2)cc1.

What is the InChIKey of 10-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2,3-dihydronaphthalen-1-yl]-1,10-diazaoctacyclo[17.10.1.02,18.03,11.04,9.012,17.023,30.024,29]triaconta-2(18),3(11),4,6,8,12,14,16,19,21,23(30),24,26,28-tetradecaene?

The InChIKey is ZBLJJZRSUJPFBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H33N5/c1-3-16-32(17-4-1)51-54-52(33-18-5-2-6-19-33)56-53(55-51)40-30-31-45(35-21-8-7-20-34(35)40)57-44-29-14-12-25-41(44)47-49(57)39-24-10-9-23-37(39)46-42-27-15-26-38-36-22-11-13-28-43(36)58(48(38)42)50(46)47/h1-29H,30-31H2.

What are the key properties of 10-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2,3-dihydronaphthalen-1-yl]-1,10-diazaoctacyclo[17.10.1.02,18.03,11.04,9.012,17.023,30.024,29]triaconta-2(18),3(11),4,6,8,12,14,16,19,21,23(30),24,26,28-tetradecaene?

10-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2,3-dihydronaphthalen-1-yl]-1,10-diazaoctacyclo[17.10.1.02,18.03,11.04,9.012,17.023,30.024,29]triaconta-2(18),3(11),4,6,8,12,14,16,19,21,23(30),24,26,28-tetradecaene has a molecular weight of 739.88 g/mol, XLogP of 11.27, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 10-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2,3-dihydronaphthalen-1-yl]-1,10-diazaoctacyclo[17.10.1.02,18.03,11.04,9.012,17.023,30.024,29]triaconta-2(18),3(11),4,6,8,12,14,16,19,21,23(30),24,26,28-tetradecaene is sourced from PubChem (CID 149471506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).