12-(3,5-diphenylphenyl)-16-phenylhexacyclo[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;3-(4,6-diphenyl-1,3,5-triazin-2-yl)-15-phenyl-3,15-diazahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1(13),2(10),4,6,8,11,14(22),16,18,20,23-undecaene;3-(4,6-diphenyl-1,3,5-triazin-2-yl)-24-phenyl-3,24-diazahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene;15-(4,6-diphenyl-1,3,5-triazin-2-yl)-12-phenyl-12,15-diazahexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3,5,7,9,14(22),16,18,20,23-undecaene

C177H113N15 — CID 159880783

About 12-(3,5-diphenylphenyl)-16-phenylhexacyclo[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;3-(4,6-diphenyl-1,3,5-triazin-2-yl)-15-phenyl-3,15-diazahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1(13),2(10),4,6,8,11,14(22),16,18,20,23-undecaene;3-(4,6-diphenyl-1,3,5-triazin-2-yl)-24-phenyl-3,24-diazahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene;15-(4,6-diphenyl-1,3,5-triazin-2-yl)-12-phenyl-12,15-diazahexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3,5,7,9,14(22),16,18,20,23-undecaene

12-(3,5-diphenylphenyl)-16-phenylhexacyclo[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;3-(4,6-diphenyl-1,3,5-triazin-2-yl)-15-phenyl-3,15-diazahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1(13),2(10),4,6,8,11,14(22),16,18,20,23-undecaene;3-(4,6-diphenyl-1,3,5-triazin-2-yl)-24-phenyl-3,24-diazahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene;15-(4,6-diphenyl-1,3,5-triazin-2-yl)-12-phenyl-12,15-diazahexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3,5,7,9,14(22),16,18,20,23-undecaene (PubChem CID 159880783) has the molecular formula C177H113N15 and a molecular weight of 2449.96 g/mol. Its IUPAC name is 12-(3,5-diphenylphenyl)-16-phenylhexacyclo[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;3-(4,6-diphenyl-1,3,5-triazin-2-yl)-15-phenyl-3,15-diazahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1(13),2(10),4,6,8,11,14(22),16,18,20,23-undecaene;3-(4,6-diphenyl-1,3,5-triazin-2-yl)-24-phenyl-3,24-diazahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene;15-(4,6-diphenyl-1,3,5-triazin-2-yl)-12-phenyl-12,15-diazahexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3,5,7,9,14(22),16,18,20,23-undecaene.

Molecular Properties

• Compound Name: 12-(3,5-diphenylphenyl)-16-phenylhexacyclo[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;3-(4,6-diphenyl-1,3,5-triazin-2-yl)-15-phenyl-3,15-diazahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1(13),2(10),4,6,8,11,14(22),16,18,20,23-undecaene;3-(4,6-diphenyl-1,3,5-triazin-2-yl)-24-phenyl-3,24-diazahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene;15-(4,6-diphenyl-1,3,5-triazin-2-yl)-12-phenyl-12,15-diazahexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3,5,7,9,14(22),16,18,20,23-undecaene
• PubChem CID: 159880783
• Molecular Formula: C177H113N15
• Molecular Weight: 2449.96 g/mol
• Exact Mass: 2447.93
• IUPAC Name: 12-(3,5-diphenylphenyl)-16-phenylhexacyclo[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;3-(4,6-diphenyl-1,3,5-triazin-2-yl)-15-phenyl-3,15-diazahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1(13),2(10),4,6,8,11,14(22),16,18,20,23-undecaene;3-(4,6-diphenyl-1,3,5-triazin-2-yl)-24-phenyl-3,24-diazahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene;15-(4,6-diphenyl-1,3,5-triazin-2-yl)-12-phenyl-12,15-diazahexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3,5,7,9,14(22),16,18,20,23-undecaene
• SMILES: c1ccc(-c2cc(-c3ccccc3)cc(C3c4cc5c(cc4-c4c3ccc3ccccc43)-c3ccccc3C5c3ccccc3)c2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-n3c4ccccc4c4c5ccccc5c5c6ccccc6n(-c6ccccc6)c5c43)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-n3c4ccccc4c4ccc5c(ccc6c7ccccc7n(-c7ccccc7)c65)c43)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-n3c4ccccc4c4ccc5c6c7ccccc7ccc6n(-c6ccccc6)c5c43)n2)cc1
• InChI: InChI=1S/C48H32.3C43H27N5/c1-4-14-31(15-5-1)35-26-36(32-16-6-2-7-17-32)28-37(27-35)47-41-25-24-33-18-10-11-21-38(33)48(41)45-29-42-39-22-12-13-23-40(39)46(43(42)30-44(45)47)34-19-8-3-9-20-34;1-4-14-28(15-5-1)41-44-42(29-16-6-2-7-17-29)46-43(45-41)48-38-23-13-11-21-32(38)34-25-26-35-36(40(34)48)27-24-33-31-20-10-12-22-37(31)47(39(33)35)30-18-8-3-9-19-30;1-4-16-28(17-5-1)41-44-42(29-18-6-2-7-19-29)46-43(45-41)48-36-27-15-13-25-34(36)38-32-23-11-10-22-31(32)37-33-24-12-14-26-35(33)47(39(37)40(38)48)30-20-8-3-9-21-30;1-4-15-29(16-5-1)41-44-42(30-17-6-2-7-18-30)46-43(45-41)48-36-23-13-12-22-33(36)34-25-26-35-38-32-21-11-10-14-28(32)24-27-37(38)47(40(35)39(34)48)31-19-8-3-9-20-31/h1-30,46-47H;3*1-27H
• InChIKey: NTMNSPHATDSVFC-UHFFFAOYSA-N
• XLogP: 44.15
• TPSA: 145.59 Ų
• H-Bond Acceptors: 15
• Rotatable Bonds: 16
• Heavy Atoms: 192
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2449.96
LogP ≤ 5	44.15
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	15

Frequently Asked Questions

What is the IUPAC name of 12-(3,5-diphenylphenyl)-16-phenylhexacyclo[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;3-(4,6-diphenyl-1,3,5-triazin-2-yl)-15-phenyl-3,15-diazahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1(13),2(10),4,6,8,11,14(22),16,18,20,23-undecaene;3-(4,6-diphenyl-1,3,5-triazin-2-yl)-24-phenyl-3,24-diazahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene;15-(4,6-diphenyl-1,3,5-triazin-2-yl)-12-phenyl-12,15-diazahexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3,5,7,9,14(22),16,18,20,23-undecaene?

The IUPAC name of 12-(3,5-diphenylphenyl)-16-phenylhexacyclo[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;3-(4,6-diphenyl-1,3,5-triazin-2-yl)-15-phenyl-3,15-diazahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1(13),2(10),4,6,8,11,14(22),16,18,20,23-undecaene;3-(4,6-diphenyl-1,3,5-triazin-2-yl)-24-phenyl-3,24-diazahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene;15-(4,6-diphenyl-1,3,5-triazin-2-yl)-12-phenyl-12,15-diazahexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3,5,7,9,14(22),16,18,20,23-undecaene (CID 159880783) is 12-(3,5-diphenylphenyl)-16-phenylhexacyclo[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;3-(4,6-diphenyl-1,3,5-triazin-2-yl)-15-phenyl-3,15-diazahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1(13),2(10),4,6,8,11,14(22),16,18,20,23-undecaene;3-(4,6-diphenyl-1,3,5-triazin-2-yl)-24-phenyl-3,24-diazahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene;15-(4,6-diphenyl-1,3,5-triazin-2-yl)-12-phenyl-12,15-diazahexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3,5,7,9,14(22),16,18,20,23-undecaene.

What is the SMILES notation for 12-(3,5-diphenylphenyl)-16-phenylhexacyclo[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;3-(4,6-diphenyl-1,3,5-triazin-2-yl)-15-phenyl-3,15-diazahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1(13),2(10),4,6,8,11,14(22),16,18,20,23-undecaene;3-(4,6-diphenyl-1,3,5-triazin-2-yl)-24-phenyl-3,24-diazahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene;15-(4,6-diphenyl-1,3,5-triazin-2-yl)-12-phenyl-12,15-diazahexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3,5,7,9,14(22),16,18,20,23-undecaene?

The canonical SMILES for 12-(3,5-diphenylphenyl)-16-phenylhexacyclo[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;3-(4,6-diphenyl-1,3,5-triazin-2-yl)-15-phenyl-3,15-diazahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1(13),2(10),4,6,8,11,14(22),16,18,20,23-undecaene;3-(4,6-diphenyl-1,3,5-triazin-2-yl)-24-phenyl-3,24-diazahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene;15-(4,6-diphenyl-1,3,5-triazin-2-yl)-12-phenyl-12,15-diazahexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3,5,7,9,14(22),16,18,20,23-undecaene is c1ccc(-c2cc(-c3ccccc3)cc(C3c4cc5c(cc4-c4c3ccc3ccccc43)-c3ccccc3C5c3ccccc3)c2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-n3c4ccccc4c4c5ccccc5c5c6ccccc6n(-c6ccccc6)c5c43)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-n3c4ccccc4c4ccc5c(ccc6c7ccccc7n(-c7ccccc7)c65)c43)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-n3c4ccccc4c4ccc5c6c7ccccc7ccc6n(-c6ccccc6)c5c43)n2)cc1.

What is the InChIKey of 12-(3,5-diphenylphenyl)-16-phenylhexacyclo[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;3-(4,6-diphenyl-1,3,5-triazin-2-yl)-15-phenyl-3,15-diazahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1(13),2(10),4,6,8,11,14(22),16,18,20,23-undecaene;3-(4,6-diphenyl-1,3,5-triazin-2-yl)-24-phenyl-3,24-diazahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene;15-(4,6-diphenyl-1,3,5-triazin-2-yl)-12-phenyl-12,15-diazahexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3,5,7,9,14(22),16,18,20,23-undecaene?

The InChIKey is NTMNSPHATDSVFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H32.3C43H27N5/c1-4-14-31(15-5-1)35-26-36(32-16-6-2-7-17-32)28-37(27-35)47-41-25-24-33-18-10-11-21-38(33)48(41)45-29-42-39-22-12-13-23-40(39)46(43(42)30-44(45)47)34-19-8-3-9-20-34;1-4-14-28(15-5-1)41-44-42(29-16-6-2-7-17-29)46-43(45-41)48-38-23-13-11-21-32(38)34-25-26-35-36(40(34)48)27-24-33-31-20-10-12-22-37(31)47(39(33)35)30-18-8-3-9-19-30;1-4-16-28(17-5-1)41-44-42(29-18-6-2-7-19-29)46-43(45-41)48-36-27-15-13-25-34(36)38-32-23-11-10-22-31(32)37-33-24-12-14-26-35(33)47(39(37)40(38)48)30-20-8-3-9-21-30;1-4-15-29(16-5-1)41-44-42(30-17-6-2-7-18-30)46-43(45-41)48-36-23-13-12-22-33(36)34-25-26-35-38-32-21-11-10-14-28(32)24-27-37(38)47(40(35)39(34)48)31-19-8-3-9-20-31/h1-30,46-47H;3*1-27H.

What are the key properties of 12-(3,5-diphenylphenyl)-16-phenylhexacyclo[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;3-(4,6-diphenyl-1,3,5-triazin-2-yl)-15-phenyl-3,15-diazahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1(13),2(10),4,6,8,11,14(22),16,18,20,23-undecaene;3-(4,6-diphenyl-1,3,5-triazin-2-yl)-24-phenyl-3,24-diazahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene;15-(4,6-diphenyl-1,3,5-triazin-2-yl)-12-phenyl-12,15-diazahexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3,5,7,9,14(22),16,18,20,23-undecaene?

12-(3,5-diphenylphenyl)-16-phenylhexacyclo[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;3-(4,6-diphenyl-1,3,5-triazin-2-yl)-15-phenyl-3,15-diazahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1(13),2(10),4,6,8,11,14(22),16,18,20,23-undecaene;3-(4,6-diphenyl-1,3,5-triazin-2-yl)-24-phenyl-3,24-diazahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene;15-(4,6-diphenyl-1,3,5-triazin-2-yl)-12-phenyl-12,15-diazahexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3,5,7,9,14(22),16,18,20,23-undecaene has a molecular weight of 2449.96 g/mol, XLogP of 44.15, 16 rotatable bonds, 0 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for 12-(3,5-diphenylphenyl)-16-phenylhexacyclo[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;3-(4,6-diphenyl-1,3,5-triazin-2-yl)-15-phenyl-3,15-diazahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1(13),2(10),4,6,8,11,14(22),16,18,20,23-undecaene;3-(4,6-diphenyl-1,3,5-triazin-2-yl)-24-phenyl-3,24-diazahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene;15-(4,6-diphenyl-1,3,5-triazin-2-yl)-12-phenyl-12,15-diazahexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3,5,7,9,14(22),16,18,20,23-undecaene is sourced from PubChem (CID 159880783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).