2,4-diphenyl-6-[4-(12-phenyl-16-hexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaenyl)naphthalen-1-yl]-1,3,5-triazine;5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]-7-phenylindolo[2,3-b]carbazole;16-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-12-phenyl-12,16-diazahexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaene

C153H97N13 — CID 159332333

About 2,4-diphenyl-6-[4-(12-phenyl-16-hexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaenyl)naphthalen-1-yl]-1,3,5-triazine;5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]-7-phenylindolo[2,3-b]carbazole;16-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-12-phenyl-12,16-diazahexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaene

2,4-diphenyl-6-[4-(12-phenyl-16-hexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaenyl)naphthalen-1-yl]-1,3,5-triazine;5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]-7-phenylindolo[2,3-b]carbazole;16-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-12-phenyl-12,16-diazahexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaene (PubChem CID 159332333) has the molecular formula C153H97N13 and a molecular weight of 2117.55 g/mol. Its IUPAC name is 2,4-diphenyl-6-[4-(12-phenyl-16-hexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaenyl)naphthalen-1-yl]-1,3,5-triazine;5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]-7-phenylindolo[2,3-b]carbazole;16-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-12-phenyl-12,16-diazahexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaene.

Molecular Properties

• Compound Name: 2,4-diphenyl-6-[4-(12-phenyl-16-hexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaenyl)naphthalen-1-yl]-1,3,5-triazine;5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]-7-phenylindolo[2,3-b]carbazole;16-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-12-phenyl-12,16-diazahexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaene
• PubChem CID: 159332333
• Molecular Formula: C153H97N13
• Molecular Weight: 2117.55 g/mol
• Exact Mass: 2115.80
• IUPAC Name: 2,4-diphenyl-6-[4-(12-phenyl-16-hexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaenyl)naphthalen-1-yl]-1,3,5-triazine;5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]-7-phenylindolo[2,3-b]carbazole;16-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-12-phenyl-12,16-diazahexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaene
• SMILES: c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-n4c5ccccc5c5cc6c7c8ccccc8ccc7n(-c7ccccc7)c6cc54)cc3)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-n4c5ccccc5c5cc6c7ccccc7n(-c7ccccc7)c6cc54)c4ccccc34)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(C4c5ccccc5-c5cc6c(cc54)C(c4ccccc4)c4ccc5ccccc5c4-6)c4ccccc34)n2)cc1
• InChI: InChI=1S/C55H35N3.2C49H31N5/c1-4-17-35(18-5-1)50-45-29-28-34-16-10-11-23-38(34)51(45)49-32-46-41-26-14-15-27-42(41)52(47(46)33-48(49)50)43-30-31-44(40-25-13-12-24-39(40)43)55-57-53(36-19-6-2-7-20-36)56-54(58-55)37-21-8-3-9-22-37;1-4-16-32(17-5-1)47-50-48(33-18-6-2-7-19-33)52-49(51-47)39-28-29-44(36-23-11-10-22-35(36)39)54-43-27-15-13-25-38(43)41-30-40-37-24-12-14-26-42(37)53(45(40)31-46(41)54)34-20-8-3-9-21-34;1-4-15-33(16-5-1)47-50-48(34-17-6-2-7-18-34)52-49(51-47)35-24-27-37(28-25-35)53-42-23-13-12-22-39(42)40-30-41-45(31-44(40)53)54(36-19-8-3-9-20-36)43-29-26-32-14-10-11-21-38(32)46(41)43/h1-33,50,52H;2*1-31H
• InChIKey: LFCOTHFTYDVRCD-UHFFFAOYSA-N
• XLogP: 37.94
• TPSA: 135.73 Ų
• H-Bond Acceptors: 13
• Rotatable Bonds: 15
• Heavy Atoms: 166
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2117.55
LogP ≤ 5	37.94
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	13

Frequently Asked Questions

What is the IUPAC name of 2,4-diphenyl-6-[4-(12-phenyl-16-hexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaenyl)naphthalen-1-yl]-1,3,5-triazine;5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]-7-phenylindolo[2,3-b]carbazole;16-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-12-phenyl-12,16-diazahexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaene?

The IUPAC name of 2,4-diphenyl-6-[4-(12-phenyl-16-hexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaenyl)naphthalen-1-yl]-1,3,5-triazine;5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]-7-phenylindolo[2,3-b]carbazole;16-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-12-phenyl-12,16-diazahexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaene (CID 159332333) is 2,4-diphenyl-6-[4-(12-phenyl-16-hexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaenyl)naphthalen-1-yl]-1,3,5-triazine;5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]-7-phenylindolo[2,3-b]carbazole;16-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-12-phenyl-12,16-diazahexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaene.

What is the SMILES notation for 2,4-diphenyl-6-[4-(12-phenyl-16-hexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaenyl)naphthalen-1-yl]-1,3,5-triazine;5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]-7-phenylindolo[2,3-b]carbazole;16-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-12-phenyl-12,16-diazahexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaene?

The canonical SMILES for 2,4-diphenyl-6-[4-(12-phenyl-16-hexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaenyl)naphthalen-1-yl]-1,3,5-triazine;5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]-7-phenylindolo[2,3-b]carbazole;16-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-12-phenyl-12,16-diazahexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaene is c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-n4c5ccccc5c5cc6c7c8ccccc8ccc7n(-c7ccccc7)c6cc54)cc3)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-n4c5ccccc5c5cc6c7ccccc7n(-c7ccccc7)c6cc54)c4ccccc34)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(C4c5ccccc5-c5cc6c(cc54)C(c4ccccc4)c4ccc5ccccc5c4-6)c4ccccc34)n2)cc1.

What is the InChIKey of 2,4-diphenyl-6-[4-(12-phenyl-16-hexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaenyl)naphthalen-1-yl]-1,3,5-triazine;5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]-7-phenylindolo[2,3-b]carbazole;16-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-12-phenyl-12,16-diazahexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaene?

The InChIKey is LFCOTHFTYDVRCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H35N3.2C49H31N5/c1-4-17-35(18-5-1)50-45-29-28-34-16-10-11-23-38(34)51(45)49-32-46-41-26-14-15-27-42(41)52(47(46)33-48(49)50)43-30-31-44(40-25-13-12-24-39(40)43)55-57-53(36-19-6-2-7-20-36)56-54(58-55)37-21-8-3-9-22-37;1-4-16-32(17-5-1)47-50-48(33-18-6-2-7-19-33)52-49(51-47)39-28-29-44(36-23-11-10-22-35(36)39)54-43-27-15-13-25-38(43)41-30-40-37-24-12-14-26-42(37)53(45(40)31-46(41)54)34-20-8-3-9-21-34;1-4-15-33(16-5-1)47-50-48(34-17-6-2-7-18-34)52-49(51-47)35-24-27-37(28-25-35)53-42-23-13-12-22-39(42)40-30-41-45(31-44(40)53)54(36-19-8-3-9-20-36)43-29-26-32-14-10-11-21-38(32)46(41)43/h1-33,50,52H;2*1-31H.

What are the key properties of 2,4-diphenyl-6-[4-(12-phenyl-16-hexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaenyl)naphthalen-1-yl]-1,3,5-triazine;5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]-7-phenylindolo[2,3-b]carbazole;16-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-12-phenyl-12,16-diazahexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaene?

2,4-diphenyl-6-[4-(12-phenyl-16-hexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaenyl)naphthalen-1-yl]-1,3,5-triazine;5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]-7-phenylindolo[2,3-b]carbazole;16-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-12-phenyl-12,16-diazahexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaene has a molecular weight of 2117.55 g/mol, XLogP of 37.94, 15 rotatable bonds, 0 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for 2,4-diphenyl-6-[4-(12-phenyl-16-hexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaenyl)naphthalen-1-yl]-1,3,5-triazine;5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]-7-phenylindolo[2,3-b]carbazole;16-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-12-phenyl-12,16-diazahexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaene is sourced from PubChem (CID 159332333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).