13,15-diphenyl-16,18-diazahexacyclo[15.8.0.02,11.03,8.012,16.019,24]pentacosa-1(25),2(11),3,5,7,9,12,14,17,19,21,23-dodecaene;13,15-diphenyl-26-oxa-16-azaheptacyclo[15.11.0.02,11.03,8.012,16.019,27.020,25]octacosa-1(17),2(11),3,5,7,9,12,14,18,20,22,24,27-tridecaene;13,15-diphenyl-16,18,20,23,25-pentazahexacyclo[15.8.0.02,11.03,8.012,16.019,24]pentacosa-1(25),2(11),3,5,7,9,12,14,17,19,21,23-dodecaene;13,15-diphenyl-26-thia-16-azaheptacyclo[15.11.0.02,11.03,8.012,16.019,27.020,25]octacosa-1(17),2(11),3,5,7,9,12,14,18,20,22,24,27-tridecaene;13,15-diphenyl-16,18,25-triazahexacyclo[15.8.0.02,11.03,8.012,16.019,24]pentacosa-1(25),2(11),3,5,7,9,12,14,17,19,21,23-dodecaene

C177H108N12OS — CID 157072162

About 13,15-diphenyl-16,18-diazahexacyclo[15.8.0.02,11.03,8.012,16.019,24]pentacosa-1(25),2(11),3,5,7,9,12,14,17,19,21,23-dodecaene;13,15-diphenyl-26-oxa-16-azaheptacyclo[15.11.0.02,11.03,8.012,16.019,27.020,25]octacosa-1(17),2(11),3,5,7,9,12,14,18,20,22,24,27-tridecaene;13,15-diphenyl-16,18,20,23,25-pentazahexacyclo[15.8.0.02,11.03,8.012,16.019,24]pentacosa-1(25),2(11),3,5,7,9,12,14,17,19,21,23-dodecaene;13,15-diphenyl-26-thia-16-azaheptacyclo[15.11.0.02,11.03,8.012,16.019,27.020,25]octacosa-1(17),2(11),3,5,7,9,12,14,18,20,22,24,27-tridecaene;13,15-diphenyl-16,18,25-triazahexacyclo[15.8.0.02,11.03,8.012,16.019,24]pentacosa-1(25),2(11),3,5,7,9,12,14,17,19,21,23-dodecaene

13,15-diphenyl-16,18-diazahexacyclo[15.8.0.02,11.03,8.012,16.019,24]pentacosa-1(25),2(11),3,5,7,9,12,14,17,19,21,23-dodecaene;13,15-diphenyl-26-oxa-16-azaheptacyclo[15.11.0.02,11.03,8.012,16.019,27.020,25]octacosa-1(17),2(11),3,5,7,9,12,14,18,20,22,24,27-tridecaene;13,15-diphenyl-16,18,20,23,25-pentazahexacyclo[15.8.0.02,11.03,8.012,16.019,24]pentacosa-1(25),2(11),3,5,7,9,12,14,17,19,21,23-dodecaene;13,15-diphenyl-26-thia-16-azaheptacyclo[15.11.0.02,11.03,8.012,16.019,27.020,25]octacosa-1(17),2(11),3,5,7,9,12,14,18,20,22,24,27-tridecaene;13,15-diphenyl-16,18,25-triazahexacyclo[15.8.0.02,11.03,8.012,16.019,24]pentacosa-1(25),2(11),3,5,7,9,12,14,17,19,21,23-dodecaene (PubChem CID 157072162) has the molecular formula C177H108N12OS and a molecular weight of 2450.96 g/mol. Its IUPAC name is 13,15-diphenyl-16,18-diazahexacyclo[15.8.0.02,11.03,8.012,16.019,24]pentacosa-1(25),2(11),3,5,7,9,12,14,17,19,21,23-dodecaene;13,15-diphenyl-26-oxa-16-azaheptacyclo[15.11.0.02,11.03,8.012,16.019,27.020,25]octacosa-1(17),2(11),3,5,7,9,12,14,18,20,22,24,27-tridecaene;13,15-diphenyl-16,18,20,23,25-pentazahexacyclo[15.8.0.02,11.03,8.012,16.019,24]pentacosa-1(25),2(11),3,5,7,9,12,14,17,19,21,23-dodecaene;13,15-diphenyl-26-thia-16-azaheptacyclo[15.11.0.02,11.03,8.012,16.019,27.020,25]octacosa-1(17),2(11),3,5,7,9,12,14,18,20,22,24,27-tridecaene;13,15-diphenyl-16,18,25-triazahexacyclo[15.8.0.02,11.03,8.012,16.019,24]pentacosa-1(25),2(11),3,5,7,9,12,14,17,19,21,23-dodecaene.

Molecular Properties

• Compound Name: 13,15-diphenyl-16,18-diazahexacyclo[15.8.0.02,11.03,8.012,16.019,24]pentacosa-1(25),2(11),3,5,7,9,12,14,17,19,21,23-dodecaene;13,15-diphenyl-26-oxa-16-azaheptacyclo[15.11.0.02,11.03,8.012,16.019,27.020,25]octacosa-1(17),2(11),3,5,7,9,12,14,18,20,22,24,27-tridecaene;13,15-diphenyl-16,18,20,23,25-pentazahexacyclo[15.8.0.02,11.03,8.012,16.019,24]pentacosa-1(25),2(11),3,5,7,9,12,14,17,19,21,23-dodecaene;13,15-diphenyl-26-thia-16-azaheptacyclo[15.11.0.02,11.03,8.012,16.019,27.020,25]octacosa-1(17),2(11),3,5,7,9,12,14,18,20,22,24,27-tridecaene;13,15-diphenyl-16,18,25-triazahexacyclo[15.8.0.02,11.03,8.012,16.019,24]pentacosa-1(25),2(11),3,5,7,9,12,14,17,19,21,23-dodecaene
• PubChem CID: 157072162
• Molecular Formula: C177H108N12OS
• Molecular Weight: 2450.96 g/mol
• Exact Mass: 2448.85
• IUPAC Name: 13,15-diphenyl-16,18-diazahexacyclo[15.8.0.02,11.03,8.012,16.019,24]pentacosa-1(25),2(11),3,5,7,9,12,14,17,19,21,23-dodecaene;13,15-diphenyl-26-oxa-16-azaheptacyclo[15.11.0.02,11.03,8.012,16.019,27.020,25]octacosa-1(17),2(11),3,5,7,9,12,14,18,20,22,24,27-tridecaene;13,15-diphenyl-16,18,20,23,25-pentazahexacyclo[15.8.0.02,11.03,8.012,16.019,24]pentacosa-1(25),2(11),3,5,7,9,12,14,17,19,21,23-dodecaene;13,15-diphenyl-26-thia-16-azaheptacyclo[15.11.0.02,11.03,8.012,16.019,27.020,25]octacosa-1(17),2(11),3,5,7,9,12,14,18,20,22,24,27-tridecaene;13,15-diphenyl-16,18,25-triazahexacyclo[15.8.0.02,11.03,8.012,16.019,24]pentacosa-1(25),2(11),3,5,7,9,12,14,17,19,21,23-dodecaene
• SMILES: c1ccc(-c2cc(-c3ccccc3)n3c4cc5c(cc4c4c6ccccc6ccc4c23)oc2ccccc25)cc1.c1ccc(-c2cc(-c3ccccc3)n3c4cc5c(cc4c4c6ccccc6ccc4c23)sc2ccccc25)cc1.c1ccc(-c2cc(-c3ccccc3)n3c4nc5ccccc5cc4c4c5ccccc5ccc4c23)cc1.c1ccc(-c2cc(-c3ccccc3)n3c4nc5ccccc5nc4c4c5ccccc5ccc4c23)cc1.c1ccc(-c2cc(-c3ccccc3)n3c4nc5nccnc5nc4c4c5ccccc5ccc4c23)cc1
• InChI: InChI=1S/C38H23NO.C38H23NS.C35H22N2.C34H21N3.C32H19N5/c2*1-3-11-24(12-4-1)30-21-33(26-14-5-2-6-15-26)39-34-22-31-28-17-9-10-18-35(28)40-36(31)23-32(34)37-27-16-8-7-13-25(27)19-20-29(37)38(30)39;1-3-11-23(12-4-1)29-22-32(25-14-5-2-6-15-25)37-34(29)28-20-19-24-13-7-9-17-27(24)33(28)30-21-26-16-8-10-18-31(26)36-35(30)37;1-3-11-22(12-4-1)27-21-30(24-14-5-2-6-15-24)37-33(27)26-20-19-23-13-7-8-16-25(23)31(26)32-34(37)36-29-18-10-9-17-28(29)35-32;1-3-9-20(10-4-1)25-19-26(22-12-5-2-6-13-22)37-29(25)24-16-15-21-11-7-8-14-23(21)27(24)28-32(37)36-31-30(35-28)33-17-18-34-31/h2*1-23H;1-22H;1-21H;1-19H
• InChIKey: ACOCFIHCTRPKDC-UHFFFAOYSA-N
• XLogP: 47.16
• TPSA: 125.42 Ų
• H-Bond Acceptors: 14
• Rotatable Bonds: 10
• Heavy Atoms: 191
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2450.96
LogP ≤ 5	47.16
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	14

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 13,15-diphenyl-16,18-diazahexacyclo[15.8.0.02,11.03,8.012,16.019,24]pentacosa-1(25),2(11),3,5,7,9,12,14,17,19,21,23-dodecaene;13,15-diphenyl-26-oxa-16-azaheptacyclo[15.11.0.02,11.03,8.012,16.019,27.020,25]octacosa-1(17),2(11),3,5,7,9,12,14,18,20,22,24,27-tridecaene;13,15-diphenyl-16,18,20,23,25-pentazahexacyclo[15.8.0.02,11.03,8.012,16.019,24]pentacosa-1(25),2(11),3,5,7,9,12,14,17,19,21,23-dodecaene;13,15-diphenyl-26-thia-16-azaheptacyclo[15.11.0.02,11.03,8.012,16.019,27.020,25]octacosa-1(17),2(11),3,5,7,9,12,14,18,20,22,24,27-tridecaene;13,15-diphenyl-16,18,25-triazahexacyclo[15.8.0.02,11.03,8.012,16.019,24]pentacosa-1(25),2(11),3,5,7,9,12,14,17,19,21,23-dodecaene?

The IUPAC name of 13,15-diphenyl-16,18-diazahexacyclo[15.8.0.02,11.03,8.012,16.019,24]pentacosa-1(25),2(11),3,5,7,9,12,14,17,19,21,23-dodecaene;13,15-diphenyl-26-oxa-16-azaheptacyclo[15.11.0.02,11.03,8.012,16.019,27.020,25]octacosa-1(17),2(11),3,5,7,9,12,14,18,20,22,24,27-tridecaene;13,15-diphenyl-16,18,20,23,25-pentazahexacyclo[15.8.0.02,11.03,8.012,16.019,24]pentacosa-1(25),2(11),3,5,7,9,12,14,17,19,21,23-dodecaene;13,15-diphenyl-26-thia-16-azaheptacyclo[15.11.0.02,11.03,8.012,16.019,27.020,25]octacosa-1(17),2(11),3,5,7,9,12,14,18,20,22,24,27-tridecaene;13,15-diphenyl-16,18,25-triazahexacyclo[15.8.0.02,11.03,8.012,16.019,24]pentacosa-1(25),2(11),3,5,7,9,12,14,17,19,21,23-dodecaene (CID 157072162) is 13,15-diphenyl-16,18-diazahexacyclo[15.8.0.02,11.03,8.012,16.019,24]pentacosa-1(25),2(11),3,5,7,9,12,14,17,19,21,23-dodecaene;13,15-diphenyl-26-oxa-16-azaheptacyclo[15.11.0.02,11.03,8.012,16.019,27.020,25]octacosa-1(17),2(11),3,5,7,9,12,14,18,20,22,24,27-tridecaene;13,15-diphenyl-16,18,20,23,25-pentazahexacyclo[15.8.0.02,11.03,8.012,16.019,24]pentacosa-1(25),2(11),3,5,7,9,12,14,17,19,21,23-dodecaene;13,15-diphenyl-26-thia-16-azaheptacyclo[15.11.0.02,11.03,8.012,16.019,27.020,25]octacosa-1(17),2(11),3,5,7,9,12,14,18,20,22,24,27-tridecaene;13,15-diphenyl-16,18,25-triazahexacyclo[15.8.0.02,11.03,8.012,16.019,24]pentacosa-1(25),2(11),3,5,7,9,12,14,17,19,21,23-dodecaene.

What is the SMILES notation for 13,15-diphenyl-16,18-diazahexacyclo[15.8.0.02,11.03,8.012,16.019,24]pentacosa-1(25),2(11),3,5,7,9,12,14,17,19,21,23-dodecaene;13,15-diphenyl-26-oxa-16-azaheptacyclo[15.11.0.02,11.03,8.012,16.019,27.020,25]octacosa-1(17),2(11),3,5,7,9,12,14,18,20,22,24,27-tridecaene;13,15-diphenyl-16,18,20,23,25-pentazahexacyclo[15.8.0.02,11.03,8.012,16.019,24]pentacosa-1(25),2(11),3,5,7,9,12,14,17,19,21,23-dodecaene;13,15-diphenyl-26-thia-16-azaheptacyclo[15.11.0.02,11.03,8.012,16.019,27.020,25]octacosa-1(17),2(11),3,5,7,9,12,14,18,20,22,24,27-tridecaene;13,15-diphenyl-16,18,25-triazahexacyclo[15.8.0.02,11.03,8.012,16.019,24]pentacosa-1(25),2(11),3,5,7,9,12,14,17,19,21,23-dodecaene?

The canonical SMILES for 13,15-diphenyl-16,18-diazahexacyclo[15.8.0.02,11.03,8.012,16.019,24]pentacosa-1(25),2(11),3,5,7,9,12,14,17,19,21,23-dodecaene;13,15-diphenyl-26-oxa-16-azaheptacyclo[15.11.0.02,11.03,8.012,16.019,27.020,25]octacosa-1(17),2(11),3,5,7,9,12,14,18,20,22,24,27-tridecaene;13,15-diphenyl-16,18,20,23,25-pentazahexacyclo[15.8.0.02,11.03,8.012,16.019,24]pentacosa-1(25),2(11),3,5,7,9,12,14,17,19,21,23-dodecaene;13,15-diphenyl-26-thia-16-azaheptacyclo[15.11.0.02,11.03,8.012,16.019,27.020,25]octacosa-1(17),2(11),3,5,7,9,12,14,18,20,22,24,27-tridecaene;13,15-diphenyl-16,18,25-triazahexacyclo[15.8.0.02,11.03,8.012,16.019,24]pentacosa-1(25),2(11),3,5,7,9,12,14,17,19,21,23-dodecaene is c1ccc(-c2cc(-c3ccccc3)n3c4cc5c(cc4c4c6ccccc6ccc4c23)oc2ccccc25)cc1.c1ccc(-c2cc(-c3ccccc3)n3c4cc5c(cc4c4c6ccccc6ccc4c23)sc2ccccc25)cc1.c1ccc(-c2cc(-c3ccccc3)n3c4nc5ccccc5cc4c4c5ccccc5ccc4c23)cc1.c1ccc(-c2cc(-c3ccccc3)n3c4nc5ccccc5nc4c4c5ccccc5ccc4c23)cc1.c1ccc(-c2cc(-c3ccccc3)n3c4nc5nccnc5nc4c4c5ccccc5ccc4c23)cc1.

What is the InChIKey of 13,15-diphenyl-16,18-diazahexacyclo[15.8.0.02,11.03,8.012,16.019,24]pentacosa-1(25),2(11),3,5,7,9,12,14,17,19,21,23-dodecaene;13,15-diphenyl-26-oxa-16-azaheptacyclo[15.11.0.02,11.03,8.012,16.019,27.020,25]octacosa-1(17),2(11),3,5,7,9,12,14,18,20,22,24,27-tridecaene;13,15-diphenyl-16,18,20,23,25-pentazahexacyclo[15.8.0.02,11.03,8.012,16.019,24]pentacosa-1(25),2(11),3,5,7,9,12,14,17,19,21,23-dodecaene;13,15-diphenyl-26-thia-16-azaheptacyclo[15.11.0.02,11.03,8.012,16.019,27.020,25]octacosa-1(17),2(11),3,5,7,9,12,14,18,20,22,24,27-tridecaene;13,15-diphenyl-16,18,25-triazahexacyclo[15.8.0.02,11.03,8.012,16.019,24]pentacosa-1(25),2(11),3,5,7,9,12,14,17,19,21,23-dodecaene?

The InChIKey is ACOCFIHCTRPKDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H23NO.C38H23NS.C35H22N2.C34H21N3.C32H19N5/c2*1-3-11-24(12-4-1)30-21-33(26-14-5-2-6-15-26)39-34-22-31-28-17-9-10-18-35(28)40-36(31)23-32(34)37-27-16-8-7-13-25(27)19-20-29(37)38(30)39;1-3-11-23(12-4-1)29-22-32(25-14-5-2-6-15-25)37-34(29)28-20-19-24-13-7-9-17-27(24)33(28)30-21-26-16-8-10-18-31(26)36-35(30)37;1-3-11-22(12-4-1)27-21-30(24-14-5-2-6-15-24)37-33(27)26-20-19-23-13-7-8-16-25(23)31(26)32-34(37)36-29-18-10-9-17-28(29)35-32;1-3-9-20(10-4-1)25-19-26(22-12-5-2-6-13-22)37-29(25)24-16-15-21-11-7-8-14-23(21)27(24)28-32(37)36-31-30(35-28)33-17-18-34-31/h2*1-23H;1-22H;1-21H;1-19H.

What are the key properties of 13,15-diphenyl-16,18-diazahexacyclo[15.8.0.02,11.03,8.012,16.019,24]pentacosa-1(25),2(11),3,5,7,9,12,14,17,19,21,23-dodecaene;13,15-diphenyl-26-oxa-16-azaheptacyclo[15.11.0.02,11.03,8.012,16.019,27.020,25]octacosa-1(17),2(11),3,5,7,9,12,14,18,20,22,24,27-tridecaene;13,15-diphenyl-16,18,20,23,25-pentazahexacyclo[15.8.0.02,11.03,8.012,16.019,24]pentacosa-1(25),2(11),3,5,7,9,12,14,17,19,21,23-dodecaene;13,15-diphenyl-26-thia-16-azaheptacyclo[15.11.0.02,11.03,8.012,16.019,27.020,25]octacosa-1(17),2(11),3,5,7,9,12,14,18,20,22,24,27-tridecaene;13,15-diphenyl-16,18,25-triazahexacyclo[15.8.0.02,11.03,8.012,16.019,24]pentacosa-1(25),2(11),3,5,7,9,12,14,17,19,21,23-dodecaene?

13,15-diphenyl-16,18-diazahexacyclo[15.8.0.02,11.03,8.012,16.019,24]pentacosa-1(25),2(11),3,5,7,9,12,14,17,19,21,23-dodecaene;13,15-diphenyl-26-oxa-16-azaheptacyclo[15.11.0.02,11.03,8.012,16.019,27.020,25]octacosa-1(17),2(11),3,5,7,9,12,14,18,20,22,24,27-tridecaene;13,15-diphenyl-16,18,20,23,25-pentazahexacyclo[15.8.0.02,11.03,8.012,16.019,24]pentacosa-1(25),2(11),3,5,7,9,12,14,17,19,21,23-dodecaene;13,15-diphenyl-26-thia-16-azaheptacyclo[15.11.0.02,11.03,8.012,16.019,27.020,25]octacosa-1(17),2(11),3,5,7,9,12,14,18,20,22,24,27-tridecaene;13,15-diphenyl-16,18,25-triazahexacyclo[15.8.0.02,11.03,8.012,16.019,24]pentacosa-1(25),2(11),3,5,7,9,12,14,17,19,21,23-dodecaene has a molecular weight of 2450.96 g/mol, XLogP of 47.16, 10 rotatable bonds, 0 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for 13,15-diphenyl-16,18-diazahexacyclo[15.8.0.02,11.03,8.012,16.019,24]pentacosa-1(25),2(11),3,5,7,9,12,14,17,19,21,23-dodecaene;13,15-diphenyl-26-oxa-16-azaheptacyclo[15.11.0.02,11.03,8.012,16.019,27.020,25]octacosa-1(17),2(11),3,5,7,9,12,14,18,20,22,24,27-tridecaene;13,15-diphenyl-16,18,20,23,25-pentazahexacyclo[15.8.0.02,11.03,8.012,16.019,24]pentacosa-1(25),2(11),3,5,7,9,12,14,17,19,21,23-dodecaene;13,15-diphenyl-26-thia-16-azaheptacyclo[15.11.0.02,11.03,8.012,16.019,27.020,25]octacosa-1(17),2(11),3,5,7,9,12,14,18,20,22,24,27-tridecaene;13,15-diphenyl-16,18,25-triazahexacyclo[15.8.0.02,11.03,8.012,16.019,24]pentacosa-1(25),2(11),3,5,7,9,12,14,17,19,21,23-dodecaene is sourced from PubChem (CID 157072162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).