30-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]-10-phenyl-10,30-diazaoctacyclo[14.12.1.12,27.03,11.04,9.012,29.017,22.023,28]triaconta-1,3(11),4,6,8,12(29),13,15,17,19,21,23(28),24,26-tetradecaene;30-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-10-phenyl-10,30-diazaoctacyclo[14.12.1.12,27.03,11.04,9.012,29.017,22.023,28]triaconta-1,3(11),4,6,8,12(29),13,15,17,19,21,23(28),24,26-tetradecaene;30-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-10-phenyl-10,30-diazaoctacyclo[14.12.1.12,27.03,11.04,9.012,29.017,22.023,28]triaconta-1,3(11),4,6,8,12(29),13,15,17,19,21,23(28),24,26-tetradecaene

C169H101N15 — CID 162245280

About 30-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]-10-phenyl-10,30-diazaoctacyclo[14.12.1.12,27.03,11.04,9.012,29.017,22.023,28]triaconta-1,3(11),4,6,8,12(29),13,15,17,19,21,23(28),24,26-tetradecaene;30-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-10-phenyl-10,30-diazaoctacyclo[14.12.1.12,27.03,11.04,9.012,29.017,22.023,28]triaconta-1,3(11),4,6,8,12(29),13,15,17,19,21,23(28),24,26-tetradecaene;30-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-10-phenyl-10,30-diazaoctacyclo[14.12.1.12,27.03,11.04,9.012,29.017,22.023,28]triaconta-1,3(11),4,6,8,12(29),13,15,17,19,21,23(28),24,26-tetradecaene

30-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]-10-phenyl-10,30-diazaoctacyclo[14.12.1.12,27.03,11.04,9.012,29.017,22.023,28]triaconta-1,3(11),4,6,8,12(29),13,15,17,19,21,23(28),24,26-tetradecaene;30-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-10-phenyl-10,30-diazaoctacyclo[14.12.1.12,27.03,11.04,9.012,29.017,22.023,28]triaconta-1,3(11),4,6,8,12(29),13,15,17,19,21,23(28),24,26-tetradecaene;30-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-10-phenyl-10,30-diazaoctacyclo[14.12.1.12,27.03,11.04,9.012,29.017,22.023,28]triaconta-1,3(11),4,6,8,12(29),13,15,17,19,21,23(28),24,26-tetradecaene (PubChem CID 162245280) has the molecular formula C169H101N15 and a molecular weight of 2341.77 g/mol. Its IUPAC name is 30-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]-10-phenyl-10,30-diazaoctacyclo[14.12.1.12,27.03,11.04,9.012,29.017,22.023,28]triaconta-1,3(11),4,6,8,12(29),13,15,17,19,21,23(28),24,26-tetradecaene;30-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-10-phenyl-10,30-diazaoctacyclo[14.12.1.12,27.03,11.04,9.012,29.017,22.023,28]triaconta-1,3(11),4,6,8,12(29),13,15,17,19,21,23(28),24,26-tetradecaene;30-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-10-phenyl-10,30-diazaoctacyclo[14.12.1.12,27.03,11.04,9.012,29.017,22.023,28]triaconta-1,3(11),4,6,8,12(29),13,15,17,19,21,23(28),24,26-tetradecaene.

Molecular Properties

• Compound Name: 30-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]-10-phenyl-10,30-diazaoctacyclo[14.12.1.12,27.03,11.04,9.012,29.017,22.023,28]triaconta-1,3(11),4,6,8,12(29),13,15,17,19,21,23(28),24,26-tetradecaene;30-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-10-phenyl-10,30-diazaoctacyclo[14.12.1.12,27.03,11.04,9.012,29.017,22.023,28]triaconta-1,3(11),4,6,8,12(29),13,15,17,19,21,23(28),24,26-tetradecaene;30-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-10-phenyl-10,30-diazaoctacyclo[14.12.1.12,27.03,11.04,9.012,29.017,22.023,28]triaconta-1,3(11),4,6,8,12(29),13,15,17,19,21,23(28),24,26-tetradecaene
• PubChem CID: 162245280
• Molecular Formula: C169H101N15
• Molecular Weight: 2341.77 g/mol
• Exact Mass: 2339.84
• IUPAC Name: 30-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]-10-phenyl-10,30-diazaoctacyclo[14.12.1.12,27.03,11.04,9.012,29.017,22.023,28]triaconta-1,3(11),4,6,8,12(29),13,15,17,19,21,23(28),24,26-tetradecaene;30-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-10-phenyl-10,30-diazaoctacyclo[14.12.1.12,27.03,11.04,9.012,29.017,22.023,28]triaconta-1,3(11),4,6,8,12(29),13,15,17,19,21,23(28),24,26-tetradecaene;30-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-10-phenyl-10,30-diazaoctacyclo[14.12.1.12,27.03,11.04,9.012,29.017,22.023,28]triaconta-1,3(11),4,6,8,12(29),13,15,17,19,21,23(28),24,26-tetradecaene
• SMILES: c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-n4c5cccc6c5c5c7c(cccc7c7c(c8ccccc8n7-c7ccccc7)c54)-c4ccccc4-6)c4ccccc34)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-n4c5cccc6c5c5c7c(cccc7c7c(c8ccccc8n7-c7ccccc7)c54)-c4ccccc4-6)cc3)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc(-n4c5cccc6c5c5c7c(cccc7c7c(c8ccccc8n7-c7ccccc7)c54)-c4ccccc4-6)c3)n2)cc1
• InChI: InChI=1S/C59H35N5.2C55H33N5/c1-4-18-36(19-5-1)57-60-58(37-20-6-2-7-21-37)62-59(61-57)45-34-35-49(42-27-13-12-26-41(42)45)64-50-33-17-30-44-40-25-11-10-24-39(40)43-29-16-31-47-51(43)54(52(44)50)56(64)53-46-28-14-15-32-48(46)63(55(47)53)38-22-8-3-9-23-38;1-4-17-34(18-5-1)53-56-54(35-19-6-2-7-20-35)58-55(57-53)36-21-14-24-38(33-36)60-46-32-16-29-42-40-26-11-10-25-39(40)41-28-15-30-44-47(41)50(48(42)46)52(60)49-43-27-12-13-31-45(43)59(51(44)49)37-22-8-3-9-23-37;1-4-16-34(17-5-1)53-56-54(35-18-6-2-7-19-35)58-55(57-53)36-30-32-38(33-31-36)60-46-29-15-26-42-40-23-11-10-22-39(40)41-25-14-27-44-47(41)50(48(42)46)52(60)49-43-24-12-13-28-45(43)59(51(44)49)37-20-8-3-9-21-37/h1-35H;2*1-33H
• InChIKey: ZXGFJLISVWEDLP-UHFFFAOYSA-N
• XLogP: 42.76
• TPSA: 145.59 Ų
• H-Bond Acceptors: 15
• Rotatable Bonds: 15
• Heavy Atoms: 184
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2341.77
LogP ≤ 5	42.76
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	15

Frequently Asked Questions

What is the IUPAC name of 30-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]-10-phenyl-10,30-diazaoctacyclo[14.12.1.12,27.03,11.04,9.012,29.017,22.023,28]triaconta-1,3(11),4,6,8,12(29),13,15,17,19,21,23(28),24,26-tetradecaene;30-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-10-phenyl-10,30-diazaoctacyclo[14.12.1.12,27.03,11.04,9.012,29.017,22.023,28]triaconta-1,3(11),4,6,8,12(29),13,15,17,19,21,23(28),24,26-tetradecaene;30-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-10-phenyl-10,30-diazaoctacyclo[14.12.1.12,27.03,11.04,9.012,29.017,22.023,28]triaconta-1,3(11),4,6,8,12(29),13,15,17,19,21,23(28),24,26-tetradecaene?

The IUPAC name of 30-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]-10-phenyl-10,30-diazaoctacyclo[14.12.1.12,27.03,11.04,9.012,29.017,22.023,28]triaconta-1,3(11),4,6,8,12(29),13,15,17,19,21,23(28),24,26-tetradecaene;30-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-10-phenyl-10,30-diazaoctacyclo[14.12.1.12,27.03,11.04,9.012,29.017,22.023,28]triaconta-1,3(11),4,6,8,12(29),13,15,17,19,21,23(28),24,26-tetradecaene;30-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-10-phenyl-10,30-diazaoctacyclo[14.12.1.12,27.03,11.04,9.012,29.017,22.023,28]triaconta-1,3(11),4,6,8,12(29),13,15,17,19,21,23(28),24,26-tetradecaene (CID 162245280) is 30-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]-10-phenyl-10,30-diazaoctacyclo[14.12.1.12,27.03,11.04,9.012,29.017,22.023,28]triaconta-1,3(11),4,6,8,12(29),13,15,17,19,21,23(28),24,26-tetradecaene;30-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-10-phenyl-10,30-diazaoctacyclo[14.12.1.12,27.03,11.04,9.012,29.017,22.023,28]triaconta-1,3(11),4,6,8,12(29),13,15,17,19,21,23(28),24,26-tetradecaene;30-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-10-phenyl-10,30-diazaoctacyclo[14.12.1.12,27.03,11.04,9.012,29.017,22.023,28]triaconta-1,3(11),4,6,8,12(29),13,15,17,19,21,23(28),24,26-tetradecaene.

What is the SMILES notation for 30-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]-10-phenyl-10,30-diazaoctacyclo[14.12.1.12,27.03,11.04,9.012,29.017,22.023,28]triaconta-1,3(11),4,6,8,12(29),13,15,17,19,21,23(28),24,26-tetradecaene;30-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-10-phenyl-10,30-diazaoctacyclo[14.12.1.12,27.03,11.04,9.012,29.017,22.023,28]triaconta-1,3(11),4,6,8,12(29),13,15,17,19,21,23(28),24,26-tetradecaene;30-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-10-phenyl-10,30-diazaoctacyclo[14.12.1.12,27.03,11.04,9.012,29.017,22.023,28]triaconta-1,3(11),4,6,8,12(29),13,15,17,19,21,23(28),24,26-tetradecaene?

The canonical SMILES for 30-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]-10-phenyl-10,30-diazaoctacyclo[14.12.1.12,27.03,11.04,9.012,29.017,22.023,28]triaconta-1,3(11),4,6,8,12(29),13,15,17,19,21,23(28),24,26-tetradecaene;30-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-10-phenyl-10,30-diazaoctacyclo[14.12.1.12,27.03,11.04,9.012,29.017,22.023,28]triaconta-1,3(11),4,6,8,12(29),13,15,17,19,21,23(28),24,26-tetradecaene;30-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-10-phenyl-10,30-diazaoctacyclo[14.12.1.12,27.03,11.04,9.012,29.017,22.023,28]triaconta-1,3(11),4,6,8,12(29),13,15,17,19,21,23(28),24,26-tetradecaene is c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-n4c5cccc6c5c5c7c(cccc7c7c(c8ccccc8n7-c7ccccc7)c54)-c4ccccc4-6)c4ccccc34)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-n4c5cccc6c5c5c7c(cccc7c7c(c8ccccc8n7-c7ccccc7)c54)-c4ccccc4-6)cc3)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc(-n4c5cccc6c5c5c7c(cccc7c7c(c8ccccc8n7-c7ccccc7)c54)-c4ccccc4-6)c3)n2)cc1.

What is the InChIKey of 30-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]-10-phenyl-10,30-diazaoctacyclo[14.12.1.12,27.03,11.04,9.012,29.017,22.023,28]triaconta-1,3(11),4,6,8,12(29),13,15,17,19,21,23(28),24,26-tetradecaene;30-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-10-phenyl-10,30-diazaoctacyclo[14.12.1.12,27.03,11.04,9.012,29.017,22.023,28]triaconta-1,3(11),4,6,8,12(29),13,15,17,19,21,23(28),24,26-tetradecaene;30-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-10-phenyl-10,30-diazaoctacyclo[14.12.1.12,27.03,11.04,9.012,29.017,22.023,28]triaconta-1,3(11),4,6,8,12(29),13,15,17,19,21,23(28),24,26-tetradecaene?

The InChIKey is ZXGFJLISVWEDLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C59H35N5.2C55H33N5/c1-4-18-36(19-5-1)57-60-58(37-20-6-2-7-21-37)62-59(61-57)45-34-35-49(42-27-13-12-26-41(42)45)64-50-33-17-30-44-40-25-11-10-24-39(40)43-29-16-31-47-51(43)54(52(44)50)56(64)53-46-28-14-15-32-48(46)63(55(47)53)38-22-8-3-9-23-38;1-4-17-34(18-5-1)53-56-54(35-19-6-2-7-20-35)58-55(57-53)36-21-14-24-38(33-36)60-46-32-16-29-42-40-26-11-10-25-39(40)41-28-15-30-44-47(41)50(48(42)46)52(60)49-43-27-12-13-31-45(43)59(51(44)49)37-22-8-3-9-23-37;1-4-16-34(17-5-1)53-56-54(35-18-6-2-7-19-35)58-55(57-53)36-30-32-38(33-31-36)60-46-29-15-26-42-40-23-11-10-22-39(40)41-25-14-27-44-47(41)50(48(42)46)52(60)49-43-24-12-13-28-45(43)59(51(44)49)37-20-8-3-9-21-37/h1-35H;2*1-33H.

What are the key properties of 30-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]-10-phenyl-10,30-diazaoctacyclo[14.12.1.12,27.03,11.04,9.012,29.017,22.023,28]triaconta-1,3(11),4,6,8,12(29),13,15,17,19,21,23(28),24,26-tetradecaene;30-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-10-phenyl-10,30-diazaoctacyclo[14.12.1.12,27.03,11.04,9.012,29.017,22.023,28]triaconta-1,3(11),4,6,8,12(29),13,15,17,19,21,23(28),24,26-tetradecaene;30-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-10-phenyl-10,30-diazaoctacyclo[14.12.1.12,27.03,11.04,9.012,29.017,22.023,28]triaconta-1,3(11),4,6,8,12(29),13,15,17,19,21,23(28),24,26-tetradecaene?

30-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]-10-phenyl-10,30-diazaoctacyclo[14.12.1.12,27.03,11.04,9.012,29.017,22.023,28]triaconta-1,3(11),4,6,8,12(29),13,15,17,19,21,23(28),24,26-tetradecaene;30-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-10-phenyl-10,30-diazaoctacyclo[14.12.1.12,27.03,11.04,9.012,29.017,22.023,28]triaconta-1,3(11),4,6,8,12(29),13,15,17,19,21,23(28),24,26-tetradecaene;30-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-10-phenyl-10,30-diazaoctacyclo[14.12.1.12,27.03,11.04,9.012,29.017,22.023,28]triaconta-1,3(11),4,6,8,12(29),13,15,17,19,21,23(28),24,26-tetradecaene has a molecular weight of 2341.77 g/mol, XLogP of 42.76, 15 rotatable bonds, 0 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for 30-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]-10-phenyl-10,30-diazaoctacyclo[14.12.1.12,27.03,11.04,9.012,29.017,22.023,28]triaconta-1,3(11),4,6,8,12(29),13,15,17,19,21,23(28),24,26-tetradecaene;30-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-10-phenyl-10,30-diazaoctacyclo[14.12.1.12,27.03,11.04,9.012,29.017,22.023,28]triaconta-1,3(11),4,6,8,12(29),13,15,17,19,21,23(28),24,26-tetradecaene;30-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-10-phenyl-10,30-diazaoctacyclo[14.12.1.12,27.03,11.04,9.012,29.017,22.023,28]triaconta-1,3(11),4,6,8,12(29),13,15,17,19,21,23(28),24,26-tetradecaene is sourced from PubChem (CID 162245280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).