13-(3,5-diphenylphenyl)-1,3,10,16,23-pentazaheptacyclo[13.9.1.02,10.04,9.011,25.016,24.017,22]pentacosa-2,4,6,8,11,13,15(25),17,19,21,23-undecaene;13-(3-phenyl-4-propan-2-ylphenyl)-1,3,10,16,23-pentazaheptacyclo[13.9.1.02,10.04,9.011,25.016,24.017,22]pentacosa-2,4,6,8,11,13,15(25),17,19,21,23-undecaene;13-(3-phenyl-5-propan-2-ylphenyl)-1,3,10,16,23-pentazaheptacyclo[13.9.1.02,10.04,9.011,25.016,24.017,22]pentacosa-2,4,6,8,11,13,15(25),17,19,21,23-undecaene;13-(5-phenyl-2-propan-2-ylphenyl)-1,3,10,16,23-pentazaheptacyclo[13.9.1.02,10.04,9.011,25.016,24.017,22]pentacosa-2,4,6,8,11,13,15(25),17,19,21,23-undecaene

C143H98N20 — CID 161365528

About 13-(3,5-diphenylphenyl)-1,3,10,16,23-pentazaheptacyclo[13.9.1.02,10.04,9.011,25.016,24.017,22]pentacosa-2,4,6,8,11,13,15(25),17,19,21,23-undecaene;13-(3-phenyl-4-propan-2-ylphenyl)-1,3,10,16,23-pentazaheptacyclo[13.9.1.02,10.04,9.011,25.016,24.017,22]pentacosa-2,4,6,8,11,13,15(25),17,19,21,23-undecaene;13-(3-phenyl-5-propan-2-ylphenyl)-1,3,10,16,23-pentazaheptacyclo[13.9.1.02,10.04,9.011,25.016,24.017,22]pentacosa-2,4,6,8,11,13,15(25),17,19,21,23-undecaene;13-(5-phenyl-2-propan-2-ylphenyl)-1,3,10,16,23-pentazaheptacyclo[13.9.1.02,10.04,9.011,25.016,24.017,22]pentacosa-2,4,6,8,11,13,15(25),17,19,21,23-undecaene

13-(3,5-diphenylphenyl)-1,3,10,16,23-pentazaheptacyclo[13.9.1.02,10.04,9.011,25.016,24.017,22]pentacosa-2,4,6,8,11,13,15(25),17,19,21,23-undecaene;13-(3-phenyl-4-propan-2-ylphenyl)-1,3,10,16,23-pentazaheptacyclo[13.9.1.02,10.04,9.011,25.016,24.017,22]pentacosa-2,4,6,8,11,13,15(25),17,19,21,23-undecaene;13-(3-phenyl-5-propan-2-ylphenyl)-1,3,10,16,23-pentazaheptacyclo[13.9.1.02,10.04,9.011,25.016,24.017,22]pentacosa-2,4,6,8,11,13,15(25),17,19,21,23-undecaene;13-(5-phenyl-2-propan-2-ylphenyl)-1,3,10,16,23-pentazaheptacyclo[13.9.1.02,10.04,9.011,25.016,24.017,22]pentacosa-2,4,6,8,11,13,15(25),17,19,21,23-undecaene (PubChem CID 161365528) has the molecular formula C143H98N20 and a molecular weight of 2096.50 g/mol. Its IUPAC name is 13-(3,5-diphenylphenyl)-1,3,10,16,23-pentazaheptacyclo[13.9.1.02,10.04,9.011,25.016,24.017,22]pentacosa-2,4,6,8,11,13,15(25),17,19,21,23-undecaene;13-(3-phenyl-4-propan-2-ylphenyl)-1,3,10,16,23-pentazaheptacyclo[13.9.1.02,10.04,9.011,25.016,24.017,22]pentacosa-2,4,6,8,11,13,15(25),17,19,21,23-undecaene;13-(3-phenyl-5-propan-2-ylphenyl)-1,3,10,16,23-pentazaheptacyclo[13.9.1.02,10.04,9.011,25.016,24.017,22]pentacosa-2,4,6,8,11,13,15(25),17,19,21,23-undecaene;13-(5-phenyl-2-propan-2-ylphenyl)-1,3,10,16,23-pentazaheptacyclo[13.9.1.02,10.04,9.011,25.016,24.017,22]pentacosa-2,4,6,8,11,13,15(25),17,19,21,23-undecaene.

Molecular Properties

• Compound Name: 13-(3,5-diphenylphenyl)-1,3,10,16,23-pentazaheptacyclo[13.9.1.02,10.04,9.011,25.016,24.017,22]pentacosa-2,4,6,8,11,13,15(25),17,19,21,23-undecaene;13-(3-phenyl-4-propan-2-ylphenyl)-1,3,10,16,23-pentazaheptacyclo[13.9.1.02,10.04,9.011,25.016,24.017,22]pentacosa-2,4,6,8,11,13,15(25),17,19,21,23-undecaene;13-(3-phenyl-5-propan-2-ylphenyl)-1,3,10,16,23-pentazaheptacyclo[13.9.1.02,10.04,9.011,25.016,24.017,22]pentacosa-2,4,6,8,11,13,15(25),17,19,21,23-undecaene;13-(5-phenyl-2-propan-2-ylphenyl)-1,3,10,16,23-pentazaheptacyclo[13.9.1.02,10.04,9.011,25.016,24.017,22]pentacosa-2,4,6,8,11,13,15(25),17,19,21,23-undecaene
• PubChem CID: 161365528
• Molecular Formula: C143H98N20
• Molecular Weight: 2096.50 g/mol
• Exact Mass: 2094.83
• IUPAC Name: 13-(3,5-diphenylphenyl)-1,3,10,16,23-pentazaheptacyclo[13.9.1.02,10.04,9.011,25.016,24.017,22]pentacosa-2,4,6,8,11,13,15(25),17,19,21,23-undecaene;13-(3-phenyl-4-propan-2-ylphenyl)-1,3,10,16,23-pentazaheptacyclo[13.9.1.02,10.04,9.011,25.016,24.017,22]pentacosa-2,4,6,8,11,13,15(25),17,19,21,23-undecaene;13-(3-phenyl-5-propan-2-ylphenyl)-1,3,10,16,23-pentazaheptacyclo[13.9.1.02,10.04,9.011,25.016,24.017,22]pentacosa-2,4,6,8,11,13,15(25),17,19,21,23-undecaene;13-(5-phenyl-2-propan-2-ylphenyl)-1,3,10,16,23-pentazaheptacyclo[13.9.1.02,10.04,9.011,25.016,24.017,22]pentacosa-2,4,6,8,11,13,15(25),17,19,21,23-undecaene
• SMILES: CC(C)c1cc(-c2ccccc2)cc(-c2cc3c4c(c2)n2c5ccccc5nc2n4c2nc4ccccc4n32)c1.CC(C)c1ccc(-c2cc3c4c(c2)n2c5ccccc5nc2n4c2nc4ccccc4n32)cc1-c1ccccc1.CC(C)c1ccc(-c2ccccc2)cc1-c1cc2c3c(c1)n1c4ccccc4nc1n3c1nc3ccccc3n21.c1ccc(-c2cc(-c3ccccc3)cc(-c3cc4c5c(c3)n3c6ccccc6nc3n5c3nc5ccccc5n43)c2)cc1
• InChI: InChI=1S/C38H23N5.3C35H25N5/c1-3-11-24(12-4-1)26-19-27(25-13-5-2-6-14-25)21-28(20-26)29-22-34-36-35(23-29)42-33-18-10-8-16-31(33)40-38(42)43(36)37-39-30-15-7-9-17-32(30)41(34)37;1-21(2)23-16-24(22-10-4-3-5-11-22)18-25(17-23)26-19-31-33-32(20-26)39-30-15-9-7-13-28(30)37-35(39)40(33)34-36-27-12-6-8-14-29(27)38(31)34;1-21(2)25-17-16-23(18-26(25)22-10-4-3-5-11-22)24-19-31-33-32(20-24)39-30-15-9-7-13-28(30)37-35(39)40(33)34-36-27-12-6-8-14-29(27)38(31)34;1-21(2)25-17-16-23(22-10-4-3-5-11-22)18-26(25)24-19-31-33-32(20-24)39-30-15-9-7-13-28(30)37-35(39)40(33)34-36-27-12-6-8-14-29(27)38(31)34/h1-23H;3*3-21H,1-2H3
• InChIKey: VPTKIXKIPZTKRP-UHFFFAOYSA-N
• XLogP: 34.90
• TPSA: 156.04 Ų
• H-Bond Acceptors: 20
• Rotatable Bonds: 12
• Heavy Atoms: 163
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2096.50
LogP ≤ 5	34.90
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	20

Frequently Asked Questions

What is the IUPAC name of 13-(3,5-diphenylphenyl)-1,3,10,16,23-pentazaheptacyclo[13.9.1.02,10.04,9.011,25.016,24.017,22]pentacosa-2,4,6,8,11,13,15(25),17,19,21,23-undecaene;13-(3-phenyl-4-propan-2-ylphenyl)-1,3,10,16,23-pentazaheptacyclo[13.9.1.02,10.04,9.011,25.016,24.017,22]pentacosa-2,4,6,8,11,13,15(25),17,19,21,23-undecaene;13-(3-phenyl-5-propan-2-ylphenyl)-1,3,10,16,23-pentazaheptacyclo[13.9.1.02,10.04,9.011,25.016,24.017,22]pentacosa-2,4,6,8,11,13,15(25),17,19,21,23-undecaene;13-(5-phenyl-2-propan-2-ylphenyl)-1,3,10,16,23-pentazaheptacyclo[13.9.1.02,10.04,9.011,25.016,24.017,22]pentacosa-2,4,6,8,11,13,15(25),17,19,21,23-undecaene?

The IUPAC name of 13-(3,5-diphenylphenyl)-1,3,10,16,23-pentazaheptacyclo[13.9.1.02,10.04,9.011,25.016,24.017,22]pentacosa-2,4,6,8,11,13,15(25),17,19,21,23-undecaene;13-(3-phenyl-4-propan-2-ylphenyl)-1,3,10,16,23-pentazaheptacyclo[13.9.1.02,10.04,9.011,25.016,24.017,22]pentacosa-2,4,6,8,11,13,15(25),17,19,21,23-undecaene;13-(3-phenyl-5-propan-2-ylphenyl)-1,3,10,16,23-pentazaheptacyclo[13.9.1.02,10.04,9.011,25.016,24.017,22]pentacosa-2,4,6,8,11,13,15(25),17,19,21,23-undecaene;13-(5-phenyl-2-propan-2-ylphenyl)-1,3,10,16,23-pentazaheptacyclo[13.9.1.02,10.04,9.011,25.016,24.017,22]pentacosa-2,4,6,8,11,13,15(25),17,19,21,23-undecaene (CID 161365528) is 13-(3,5-diphenylphenyl)-1,3,10,16,23-pentazaheptacyclo[13.9.1.02,10.04,9.011,25.016,24.017,22]pentacosa-2,4,6,8,11,13,15(25),17,19,21,23-undecaene;13-(3-phenyl-4-propan-2-ylphenyl)-1,3,10,16,23-pentazaheptacyclo[13.9.1.02,10.04,9.011,25.016,24.017,22]pentacosa-2,4,6,8,11,13,15(25),17,19,21,23-undecaene;13-(3-phenyl-5-propan-2-ylphenyl)-1,3,10,16,23-pentazaheptacyclo[13.9.1.02,10.04,9.011,25.016,24.017,22]pentacosa-2,4,6,8,11,13,15(25),17,19,21,23-undecaene;13-(5-phenyl-2-propan-2-ylphenyl)-1,3,10,16,23-pentazaheptacyclo[13.9.1.02,10.04,9.011,25.016,24.017,22]pentacosa-2,4,6,8,11,13,15(25),17,19,21,23-undecaene.

What is the SMILES notation for 13-(3,5-diphenylphenyl)-1,3,10,16,23-pentazaheptacyclo[13.9.1.02,10.04,9.011,25.016,24.017,22]pentacosa-2,4,6,8,11,13,15(25),17,19,21,23-undecaene;13-(3-phenyl-4-propan-2-ylphenyl)-1,3,10,16,23-pentazaheptacyclo[13.9.1.02,10.04,9.011,25.016,24.017,22]pentacosa-2,4,6,8,11,13,15(25),17,19,21,23-undecaene;13-(3-phenyl-5-propan-2-ylphenyl)-1,3,10,16,23-pentazaheptacyclo[13.9.1.02,10.04,9.011,25.016,24.017,22]pentacosa-2,4,6,8,11,13,15(25),17,19,21,23-undecaene;13-(5-phenyl-2-propan-2-ylphenyl)-1,3,10,16,23-pentazaheptacyclo[13.9.1.02,10.04,9.011,25.016,24.017,22]pentacosa-2,4,6,8,11,13,15(25),17,19,21,23-undecaene?

The canonical SMILES for 13-(3,5-diphenylphenyl)-1,3,10,16,23-pentazaheptacyclo[13.9.1.02,10.04,9.011,25.016,24.017,22]pentacosa-2,4,6,8,11,13,15(25),17,19,21,23-undecaene;13-(3-phenyl-4-propan-2-ylphenyl)-1,3,10,16,23-pentazaheptacyclo[13.9.1.02,10.04,9.011,25.016,24.017,22]pentacosa-2,4,6,8,11,13,15(25),17,19,21,23-undecaene;13-(3-phenyl-5-propan-2-ylphenyl)-1,3,10,16,23-pentazaheptacyclo[13.9.1.02,10.04,9.011,25.016,24.017,22]pentacosa-2,4,6,8,11,13,15(25),17,19,21,23-undecaene;13-(5-phenyl-2-propan-2-ylphenyl)-1,3,10,16,23-pentazaheptacyclo[13.9.1.02,10.04,9.011,25.016,24.017,22]pentacosa-2,4,6,8,11,13,15(25),17,19,21,23-undecaene is CC(C)c1cc(-c2ccccc2)cc(-c2cc3c4c(c2)n2c5ccccc5nc2n4c2nc4ccccc4n32)c1.CC(C)c1ccc(-c2cc3c4c(c2)n2c5ccccc5nc2n4c2nc4ccccc4n32)cc1-c1ccccc1.CC(C)c1ccc(-c2ccccc2)cc1-c1cc2c3c(c1)n1c4ccccc4nc1n3c1nc3ccccc3n21.c1ccc(-c2cc(-c3ccccc3)cc(-c3cc4c5c(c3)n3c6ccccc6nc3n5c3nc5ccccc5n43)c2)cc1.

What is the InChIKey of 13-(3,5-diphenylphenyl)-1,3,10,16,23-pentazaheptacyclo[13.9.1.02,10.04,9.011,25.016,24.017,22]pentacosa-2,4,6,8,11,13,15(25),17,19,21,23-undecaene;13-(3-phenyl-4-propan-2-ylphenyl)-1,3,10,16,23-pentazaheptacyclo[13.9.1.02,10.04,9.011,25.016,24.017,22]pentacosa-2,4,6,8,11,13,15(25),17,19,21,23-undecaene;13-(3-phenyl-5-propan-2-ylphenyl)-1,3,10,16,23-pentazaheptacyclo[13.9.1.02,10.04,9.011,25.016,24.017,22]pentacosa-2,4,6,8,11,13,15(25),17,19,21,23-undecaene;13-(5-phenyl-2-propan-2-ylphenyl)-1,3,10,16,23-pentazaheptacyclo[13.9.1.02,10.04,9.011,25.016,24.017,22]pentacosa-2,4,6,8,11,13,15(25),17,19,21,23-undecaene?

The InChIKey is VPTKIXKIPZTKRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H23N5.3C35H25N5/c1-3-11-24(12-4-1)26-19-27(25-13-5-2-6-14-25)21-28(20-26)29-22-34-36-35(23-29)42-33-18-10-8-16-31(33)40-38(42)43(36)37-39-30-15-7-9-17-32(30)41(34)37;1-21(2)23-16-24(22-10-4-3-5-11-22)18-25(17-23)26-19-31-33-32(20-26)39-30-15-9-7-13-28(30)37-35(39)40(33)34-36-27-12-6-8-14-29(27)38(31)34;1-21(2)25-17-16-23(18-26(25)22-10-4-3-5-11-22)24-19-31-33-32(20-24)39-30-15-9-7-13-28(30)37-35(39)40(33)34-36-27-12-6-8-14-29(27)38(31)34;1-21(2)25-17-16-23(22-10-4-3-5-11-22)18-26(25)24-19-31-33-32(20-24)39-30-15-9-7-13-28(30)37-35(39)40(33)34-36-27-12-6-8-14-29(27)38(31)34/h1-23H;3*3-21H,1-2H3.

What are the key properties of 13-(3,5-diphenylphenyl)-1,3,10,16,23-pentazaheptacyclo[13.9.1.02,10.04,9.011,25.016,24.017,22]pentacosa-2,4,6,8,11,13,15(25),17,19,21,23-undecaene;13-(3-phenyl-4-propan-2-ylphenyl)-1,3,10,16,23-pentazaheptacyclo[13.9.1.02,10.04,9.011,25.016,24.017,22]pentacosa-2,4,6,8,11,13,15(25),17,19,21,23-undecaene;13-(3-phenyl-5-propan-2-ylphenyl)-1,3,10,16,23-pentazaheptacyclo[13.9.1.02,10.04,9.011,25.016,24.017,22]pentacosa-2,4,6,8,11,13,15(25),17,19,21,23-undecaene;13-(5-phenyl-2-propan-2-ylphenyl)-1,3,10,16,23-pentazaheptacyclo[13.9.1.02,10.04,9.011,25.016,24.017,22]pentacosa-2,4,6,8,11,13,15(25),17,19,21,23-undecaene?

13-(3,5-diphenylphenyl)-1,3,10,16,23-pentazaheptacyclo[13.9.1.02,10.04,9.011,25.016,24.017,22]pentacosa-2,4,6,8,11,13,15(25),17,19,21,23-undecaene;13-(3-phenyl-4-propan-2-ylphenyl)-1,3,10,16,23-pentazaheptacyclo[13.9.1.02,10.04,9.011,25.016,24.017,22]pentacosa-2,4,6,8,11,13,15(25),17,19,21,23-undecaene;13-(3-phenyl-5-propan-2-ylphenyl)-1,3,10,16,23-pentazaheptacyclo[13.9.1.02,10.04,9.011,25.016,24.017,22]pentacosa-2,4,6,8,11,13,15(25),17,19,21,23-undecaene;13-(5-phenyl-2-propan-2-ylphenyl)-1,3,10,16,23-pentazaheptacyclo[13.9.1.02,10.04,9.011,25.016,24.017,22]pentacosa-2,4,6,8,11,13,15(25),17,19,21,23-undecaene has a molecular weight of 2096.50 g/mol, XLogP of 34.90, 12 rotatable bonds, 0 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for 13-(3,5-diphenylphenyl)-1,3,10,16,23-pentazaheptacyclo[13.9.1.02,10.04,9.011,25.016,24.017,22]pentacosa-2,4,6,8,11,13,15(25),17,19,21,23-undecaene;13-(3-phenyl-4-propan-2-ylphenyl)-1,3,10,16,23-pentazaheptacyclo[13.9.1.02,10.04,9.011,25.016,24.017,22]pentacosa-2,4,6,8,11,13,15(25),17,19,21,23-undecaene;13-(3-phenyl-5-propan-2-ylphenyl)-1,3,10,16,23-pentazaheptacyclo[13.9.1.02,10.04,9.011,25.016,24.017,22]pentacosa-2,4,6,8,11,13,15(25),17,19,21,23-undecaene;13-(5-phenyl-2-propan-2-ylphenyl)-1,3,10,16,23-pentazaheptacyclo[13.9.1.02,10.04,9.011,25.016,24.017,22]pentacosa-2,4,6,8,11,13,15(25),17,19,21,23-undecaene is sourced from PubChem (CID 161365528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).