14,14-diphenyl-9-(3-phenylphenyl)-9-azahexacyclo[11.11.0.02,10.03,8.015,24.018,23]tetracosa-1(13),2(10),3,5,7,11,15(24),16,18,20,22-undecaene;13-(4,6-diphenyl-1,3,5-triazin-2-yl)-18-thia-13-azaheptacyclo[15.11.0.02,14.03,12.05,10.019,28.020,25]octacosa-1(17),2(14),3,5,7,9,11,15,19(28),20,22,24,26-tridecaene;10-(2,6-dipyridin-2-yl-4-pyridinyl)-15-phenyl-10,15-diazaheptacyclo[14.12.0.02,14.03,11.04,9.017,22.023,28]octacosa-1(16),2(14),3(11),4,6,8,12,17,19,21,23,25,27-tridecaene;9-naphthalen-2-yl-14-oxa-9-azahexacyclo[11.11.0.02,10.03,8.015,24.017,22]tetracosa-1(13),2(10),3,5,7,11,15,17,19,21,23-undecaene

C167H103N11OS — CID 159798232

About 14,14-diphenyl-9-(3-phenylphenyl)-9-azahexacyclo[11.11.0.02,10.03,8.015,24.018,23]tetracosa-1(13),2(10),3,5,7,11,15(24),16,18,20,22-undecaene;13-(4,6-diphenyl-1,3,5-triazin-2-yl)-18-thia-13-azaheptacyclo[15.11.0.02,14.03,12.05,10.019,28.020,25]octacosa-1(17),2(14),3,5,7,9,11,15,19(28),20,22,24,26-tridecaene;10-(2,6-dipyridin-2-yl-4-pyridinyl)-15-phenyl-10,15-diazaheptacyclo[14.12.0.02,14.03,11.04,9.017,22.023,28]octacosa-1(16),2(14),3(11),4,6,8,12,17,19,21,23,25,27-tridecaene;9-naphthalen-2-yl-14-oxa-9-azahexacyclo[11.11.0.02,10.03,8.015,24.017,22]tetracosa-1(13),2(10),3,5,7,11,15,17,19,21,23-undecaene

14,14-diphenyl-9-(3-phenylphenyl)-9-azahexacyclo[11.11.0.02,10.03,8.015,24.018,23]tetracosa-1(13),2(10),3,5,7,11,15(24),16,18,20,22-undecaene;13-(4,6-diphenyl-1,3,5-triazin-2-yl)-18-thia-13-azaheptacyclo[15.11.0.02,14.03,12.05,10.019,28.020,25]octacosa-1(17),2(14),3,5,7,9,11,15,19(28),20,22,24,26-tridecaene;10-(2,6-dipyridin-2-yl-4-pyridinyl)-15-phenyl-10,15-diazaheptacyclo[14.12.0.02,14.03,11.04,9.017,22.023,28]octacosa-1(16),2(14),3(11),4,6,8,12,17,19,21,23,25,27-tridecaene;9-naphthalen-2-yl-14-oxa-9-azahexacyclo[11.11.0.02,10.03,8.015,24.017,22]tetracosa-1(13),2(10),3,5,7,11,15,17,19,21,23-undecaene (PubChem CID 159798232) has the molecular formula C167H103N11OS and a molecular weight of 2311.80 g/mol. Its IUPAC name is 14,14-diphenyl-9-(3-phenylphenyl)-9-azahexacyclo[11.11.0.02,10.03,8.015,24.018,23]tetracosa-1(13),2(10),3,5,7,11,15(24),16,18,20,22-undecaene;13-(4,6-diphenyl-1,3,5-triazin-2-yl)-18-thia-13-azaheptacyclo[15.11.0.02,14.03,12.05,10.019,28.020,25]octacosa-1(17),2(14),3,5,7,9,11,15,19(28),20,22,24,26-tridecaene;10-(2,6-dipyridin-2-yl-4-pyridinyl)-15-phenyl-10,15-diazaheptacyclo[14.12.0.02,14.03,11.04,9.017,22.023,28]octacosa-1(16),2(14),3(11),4,6,8,12,17,19,21,23,25,27-tridecaene;9-naphthalen-2-yl-14-oxa-9-azahexacyclo[11.11.0.02,10.03,8.015,24.017,22]tetracosa-1(13),2(10),3,5,7,11,15,17,19,21,23-undecaene.

Molecular Properties

• Compound Name: 14,14-diphenyl-9-(3-phenylphenyl)-9-azahexacyclo[11.11.0.02,10.03,8.015,24.018,23]tetracosa-1(13),2(10),3,5,7,11,15(24),16,18,20,22-undecaene;13-(4,6-diphenyl-1,3,5-triazin-2-yl)-18-thia-13-azaheptacyclo[15.11.0.02,14.03,12.05,10.019,28.020,25]octacosa-1(17),2(14),3,5,7,9,11,15,19(28),20,22,24,26-tridecaene;10-(2,6-dipyridin-2-yl-4-pyridinyl)-15-phenyl-10,15-diazaheptacyclo[14.12.0.02,14.03,11.04,9.017,22.023,28]octacosa-1(16),2(14),3(11),4,6,8,12,17,19,21,23,25,27-tridecaene;9-naphthalen-2-yl-14-oxa-9-azahexacyclo[11.11.0.02,10.03,8.015,24.017,22]tetracosa-1(13),2(10),3,5,7,11,15,17,19,21,23-undecaene
• PubChem CID: 159798232
• Molecular Formula: C167H103N11OS
• Molecular Weight: 2311.80 g/mol
• Exact Mass: 2309.81
• IUPAC Name: 14,14-diphenyl-9-(3-phenylphenyl)-9-azahexacyclo[11.11.0.02,10.03,8.015,24.018,23]tetracosa-1(13),2(10),3,5,7,11,15(24),16,18,20,22-undecaene;13-(4,6-diphenyl-1,3,5-triazin-2-yl)-18-thia-13-azaheptacyclo[15.11.0.02,14.03,12.05,10.019,28.020,25]octacosa-1(17),2(14),3,5,7,9,11,15,19(28),20,22,24,26-tridecaene;10-(2,6-dipyridin-2-yl-4-pyridinyl)-15-phenyl-10,15-diazaheptacyclo[14.12.0.02,14.03,11.04,9.017,22.023,28]octacosa-1(16),2(14),3(11),4,6,8,12,17,19,21,23,25,27-tridecaene;9-naphthalen-2-yl-14-oxa-9-azahexacyclo[11.11.0.02,10.03,8.015,24.017,22]tetracosa-1(13),2(10),3,5,7,11,15,17,19,21,23-undecaene
• SMILES: c1ccc(-c2cccc(-n3c4ccccc4c4c5c(ccc43)C(c3ccccc3)(c3ccccc3)c3ccc4ccccc4c3-5)c2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-n3c4cc5ccccc5cc4c4c5c(ccc43)sc3c4ccccc4ccc35)n2)cc1.c1ccc(-n2c3ccc4c(c5ccccc5n4-c4cc(-c5ccccn5)nc(-c5ccccn5)c4)c3c3c4ccccc4c4ccccc4c32)cc1.c1ccc2cc(-n3c4ccccc4c4c5c(ccc43)oc3cc4ccccc4cc35)ccc2c1
• InChI: InChI=1S/C47H29N5.C47H31N.C41H24N4S.C32H19NO/c1-2-14-30(15-3-1)52-43-25-24-42-44(46(43)45-34-18-6-4-16-32(34)33-17-5-7-19-35(33)47(45)52)36-20-8-9-23-41(36)51(42)31-28-39(37-21-10-12-26-48-37)50-40(29-31)38-22-11-13-27-49-38;1-4-15-32(16-5-1)34-18-14-23-37(31-34)48-42-26-13-12-25-39(42)45-43(48)30-29-41-46(45)44-38-24-11-10-17-33(38)27-28-40(44)47(41,35-19-6-2-7-20-35)36-21-8-3-9-22-36;1-3-12-26(13-4-1)39-42-40(27-14-5-2-6-15-27)44-41(43-39)45-33-21-22-35-37(31-20-19-25-11-9-10-18-30(25)38(31)46-35)36(33)32-23-28-16-7-8-17-29(28)24-34(32)45;1-2-8-21-17-24(14-13-20(21)7-1)33-27-12-6-5-11-25(27)31-28(33)15-16-29-32(31)26-18-22-9-3-4-10-23(22)19-30(26)34-29/h1-29H;1-31H;1-24H;1-19H
• InChIKey: NJLGDGASPRDSSL-UHFFFAOYSA-N
• XLogP: 43.64
• TPSA: 115.13 Ų
• H-Bond Acceptors: 13
• Rotatable Bonds: 12
• Heavy Atoms: 180
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2311.80
LogP ≤ 5	43.64
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	13

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 14,14-diphenyl-9-(3-phenylphenyl)-9-azahexacyclo[11.11.0.02,10.03,8.015,24.018,23]tetracosa-1(13),2(10),3,5,7,11,15(24),16,18,20,22-undecaene;13-(4,6-diphenyl-1,3,5-triazin-2-yl)-18-thia-13-azaheptacyclo[15.11.0.02,14.03,12.05,10.019,28.020,25]octacosa-1(17),2(14),3,5,7,9,11,15,19(28),20,22,24,26-tridecaene;10-(2,6-dipyridin-2-yl-4-pyridinyl)-15-phenyl-10,15-diazaheptacyclo[14.12.0.02,14.03,11.04,9.017,22.023,28]octacosa-1(16),2(14),3(11),4,6,8,12,17,19,21,23,25,27-tridecaene;9-naphthalen-2-yl-14-oxa-9-azahexacyclo[11.11.0.02,10.03,8.015,24.017,22]tetracosa-1(13),2(10),3,5,7,11,15,17,19,21,23-undecaene?

The IUPAC name of 14,14-diphenyl-9-(3-phenylphenyl)-9-azahexacyclo[11.11.0.02,10.03,8.015,24.018,23]tetracosa-1(13),2(10),3,5,7,11,15(24),16,18,20,22-undecaene;13-(4,6-diphenyl-1,3,5-triazin-2-yl)-18-thia-13-azaheptacyclo[15.11.0.02,14.03,12.05,10.019,28.020,25]octacosa-1(17),2(14),3,5,7,9,11,15,19(28),20,22,24,26-tridecaene;10-(2,6-dipyridin-2-yl-4-pyridinyl)-15-phenyl-10,15-diazaheptacyclo[14.12.0.02,14.03,11.04,9.017,22.023,28]octacosa-1(16),2(14),3(11),4,6,8,12,17,19,21,23,25,27-tridecaene;9-naphthalen-2-yl-14-oxa-9-azahexacyclo[11.11.0.02,10.03,8.015,24.017,22]tetracosa-1(13),2(10),3,5,7,11,15,17,19,21,23-undecaene (CID 159798232) is 14,14-diphenyl-9-(3-phenylphenyl)-9-azahexacyclo[11.11.0.02,10.03,8.015,24.018,23]tetracosa-1(13),2(10),3,5,7,11,15(24),16,18,20,22-undecaene;13-(4,6-diphenyl-1,3,5-triazin-2-yl)-18-thia-13-azaheptacyclo[15.11.0.02,14.03,12.05,10.019,28.020,25]octacosa-1(17),2(14),3,5,7,9,11,15,19(28),20,22,24,26-tridecaene;10-(2,6-dipyridin-2-yl-4-pyridinyl)-15-phenyl-10,15-diazaheptacyclo[14.12.0.02,14.03,11.04,9.017,22.023,28]octacosa-1(16),2(14),3(11),4,6,8,12,17,19,21,23,25,27-tridecaene;9-naphthalen-2-yl-14-oxa-9-azahexacyclo[11.11.0.02,10.03,8.015,24.017,22]tetracosa-1(13),2(10),3,5,7,11,15,17,19,21,23-undecaene.

What is the SMILES notation for 14,14-diphenyl-9-(3-phenylphenyl)-9-azahexacyclo[11.11.0.02,10.03,8.015,24.018,23]tetracosa-1(13),2(10),3,5,7,11,15(24),16,18,20,22-undecaene;13-(4,6-diphenyl-1,3,5-triazin-2-yl)-18-thia-13-azaheptacyclo[15.11.0.02,14.03,12.05,10.019,28.020,25]octacosa-1(17),2(14),3,5,7,9,11,15,19(28),20,22,24,26-tridecaene;10-(2,6-dipyridin-2-yl-4-pyridinyl)-15-phenyl-10,15-diazaheptacyclo[14.12.0.02,14.03,11.04,9.017,22.023,28]octacosa-1(16),2(14),3(11),4,6,8,12,17,19,21,23,25,27-tridecaene;9-naphthalen-2-yl-14-oxa-9-azahexacyclo[11.11.0.02,10.03,8.015,24.017,22]tetracosa-1(13),2(10),3,5,7,11,15,17,19,21,23-undecaene?

The canonical SMILES for 14,14-diphenyl-9-(3-phenylphenyl)-9-azahexacyclo[11.11.0.02,10.03,8.015,24.018,23]tetracosa-1(13),2(10),3,5,7,11,15(24),16,18,20,22-undecaene;13-(4,6-diphenyl-1,3,5-triazin-2-yl)-18-thia-13-azaheptacyclo[15.11.0.02,14.03,12.05,10.019,28.020,25]octacosa-1(17),2(14),3,5,7,9,11,15,19(28),20,22,24,26-tridecaene;10-(2,6-dipyridin-2-yl-4-pyridinyl)-15-phenyl-10,15-diazaheptacyclo[14.12.0.02,14.03,11.04,9.017,22.023,28]octacosa-1(16),2(14),3(11),4,6,8,12,17,19,21,23,25,27-tridecaene;9-naphthalen-2-yl-14-oxa-9-azahexacyclo[11.11.0.02,10.03,8.015,24.017,22]tetracosa-1(13),2(10),3,5,7,11,15,17,19,21,23-undecaene is c1ccc(-c2cccc(-n3c4ccccc4c4c5c(ccc43)C(c3ccccc3)(c3ccccc3)c3ccc4ccccc4c3-5)c2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-n3c4cc5ccccc5cc4c4c5c(ccc43)sc3c4ccccc4ccc35)n2)cc1.c1ccc(-n2c3ccc4c(c5ccccc5n4-c4cc(-c5ccccn5)nc(-c5ccccn5)c4)c3c3c4ccccc4c4ccccc4c32)cc1.c1ccc2cc(-n3c4ccccc4c4c5c(ccc43)oc3cc4ccccc4cc35)ccc2c1.

What is the InChIKey of 14,14-diphenyl-9-(3-phenylphenyl)-9-azahexacyclo[11.11.0.02,10.03,8.015,24.018,23]tetracosa-1(13),2(10),3,5,7,11,15(24),16,18,20,22-undecaene;13-(4,6-diphenyl-1,3,5-triazin-2-yl)-18-thia-13-azaheptacyclo[15.11.0.02,14.03,12.05,10.019,28.020,25]octacosa-1(17),2(14),3,5,7,9,11,15,19(28),20,22,24,26-tridecaene;10-(2,6-dipyridin-2-yl-4-pyridinyl)-15-phenyl-10,15-diazaheptacyclo[14.12.0.02,14.03,11.04,9.017,22.023,28]octacosa-1(16),2(14),3(11),4,6,8,12,17,19,21,23,25,27-tridecaene;9-naphthalen-2-yl-14-oxa-9-azahexacyclo[11.11.0.02,10.03,8.015,24.017,22]tetracosa-1(13),2(10),3,5,7,11,15,17,19,21,23-undecaene?

The InChIKey is NJLGDGASPRDSSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H29N5.C47H31N.C41H24N4S.C32H19NO/c1-2-14-30(15-3-1)52-43-25-24-42-44(46(43)45-34-18-6-4-16-32(34)33-17-5-7-19-35(33)47(45)52)36-20-8-9-23-41(36)51(42)31-28-39(37-21-10-12-26-48-37)50-40(29-31)38-22-11-13-27-49-38;1-4-15-32(16-5-1)34-18-14-23-37(31-34)48-42-26-13-12-25-39(42)45-43(48)30-29-41-46(45)44-38-24-11-10-17-33(38)27-28-40(44)47(41,35-19-6-2-7-20-35)36-21-8-3-9-22-36;1-3-12-26(13-4-1)39-42-40(27-14-5-2-6-15-27)44-41(43-39)45-33-21-22-35-37(31-20-19-25-11-9-10-18-30(25)38(31)46-35)36(33)32-23-28-16-7-8-17-29(28)24-34(32)45;1-2-8-21-17-24(14-13-20(21)7-1)33-27-12-6-5-11-25(27)31-28(33)15-16-29-32(31)26-18-22-9-3-4-10-23(22)19-30(26)34-29/h1-29H;1-31H;1-24H;1-19H.

What are the key properties of 14,14-diphenyl-9-(3-phenylphenyl)-9-azahexacyclo[11.11.0.02,10.03,8.015,24.018,23]tetracosa-1(13),2(10),3,5,7,11,15(24),16,18,20,22-undecaene;13-(4,6-diphenyl-1,3,5-triazin-2-yl)-18-thia-13-azaheptacyclo[15.11.0.02,14.03,12.05,10.019,28.020,25]octacosa-1(17),2(14),3,5,7,9,11,15,19(28),20,22,24,26-tridecaene;10-(2,6-dipyridin-2-yl-4-pyridinyl)-15-phenyl-10,15-diazaheptacyclo[14.12.0.02,14.03,11.04,9.017,22.023,28]octacosa-1(16),2(14),3(11),4,6,8,12,17,19,21,23,25,27-tridecaene;9-naphthalen-2-yl-14-oxa-9-azahexacyclo[11.11.0.02,10.03,8.015,24.017,22]tetracosa-1(13),2(10),3,5,7,11,15,17,19,21,23-undecaene?

14,14-diphenyl-9-(3-phenylphenyl)-9-azahexacyclo[11.11.0.02,10.03,8.015,24.018,23]tetracosa-1(13),2(10),3,5,7,11,15(24),16,18,20,22-undecaene;13-(4,6-diphenyl-1,3,5-triazin-2-yl)-18-thia-13-azaheptacyclo[15.11.0.02,14.03,12.05,10.019,28.020,25]octacosa-1(17),2(14),3,5,7,9,11,15,19(28),20,22,24,26-tridecaene;10-(2,6-dipyridin-2-yl-4-pyridinyl)-15-phenyl-10,15-diazaheptacyclo[14.12.0.02,14.03,11.04,9.017,22.023,28]octacosa-1(16),2(14),3(11),4,6,8,12,17,19,21,23,25,27-tridecaene;9-naphthalen-2-yl-14-oxa-9-azahexacyclo[11.11.0.02,10.03,8.015,24.017,22]tetracosa-1(13),2(10),3,5,7,11,15,17,19,21,23-undecaene has a molecular weight of 2311.80 g/mol, XLogP of 43.64, 12 rotatable bonds, 0 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for 14,14-diphenyl-9-(3-phenylphenyl)-9-azahexacyclo[11.11.0.02,10.03,8.015,24.018,23]tetracosa-1(13),2(10),3,5,7,11,15(24),16,18,20,22-undecaene;13-(4,6-diphenyl-1,3,5-triazin-2-yl)-18-thia-13-azaheptacyclo[15.11.0.02,14.03,12.05,10.019,28.020,25]octacosa-1(17),2(14),3,5,7,9,11,15,19(28),20,22,24,26-tridecaene;10-(2,6-dipyridin-2-yl-4-pyridinyl)-15-phenyl-10,15-diazaheptacyclo[14.12.0.02,14.03,11.04,9.017,22.023,28]octacosa-1(16),2(14),3(11),4,6,8,12,17,19,21,23,25,27-tridecaene;9-naphthalen-2-yl-14-oxa-9-azahexacyclo[11.11.0.02,10.03,8.015,24.017,22]tetracosa-1(13),2(10),3,5,7,11,15,17,19,21,23-undecaene is sourced from PubChem (CID 159798232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).