7-phenyl-11-(4-phenylisoquinolin-1-yl)-7,11-diazapentacyclo[10.8.0.02,10.04,8.013,18]icosa-1(12),2(10),3,5,8,13,15,17,19-nonaene;20-phenyl-24-(4-phenylphenyl)-20,24-diazahexacyclo[12.10.0.02,7.08,13.015,23.017,21]tetracosa-1(14),2,4,6,8,10,12,15(23),16,18,21-undecaene;20-phenyl-24-(4-pyridin-3-yl-2-pyridinyl)-20,24-diazahexacyclo[12.10.0.02,7.08,13.015,23.017,21]tetracosa-1(14),2,4,6,8,10,12,15(23),16,18,21-undecaene;7-phenyl-11-(2-pyridin-3-ylpyrimidin-4-yl)-7,11-diazapentacyclo[10.8.0.02,10.04,8.015,20]icosa-1(12),2(10),3,5,8,13,15,17,19-nonaene

C150H96N14 — CID 161240506

About 7-phenyl-11-(4-phenylisoquinolin-1-yl)-7,11-diazapentacyclo[10.8.0.02,10.04,8.013,18]icosa-1(12),2(10),3,5,8,13,15,17,19-nonaene;20-phenyl-24-(4-phenylphenyl)-20,24-diazahexacyclo[12.10.0.02,7.08,13.015,23.017,21]tetracosa-1(14),2,4,6,8,10,12,15(23),16,18,21-undecaene;20-phenyl-24-(4-pyridin-3-yl-2-pyridinyl)-20,24-diazahexacyclo[12.10.0.02,7.08,13.015,23.017,21]tetracosa-1(14),2,4,6,8,10,12,15(23),16,18,21-undecaene;7-phenyl-11-(2-pyridin-3-ylpyrimidin-4-yl)-7,11-diazapentacyclo[10.8.0.02,10.04,8.015,20]icosa-1(12),2(10),3,5,8,13,15,17,19-nonaene

7-phenyl-11-(4-phenylisoquinolin-1-yl)-7,11-diazapentacyclo[10.8.0.02,10.04,8.013,18]icosa-1(12),2(10),3,5,8,13,15,17,19-nonaene;20-phenyl-24-(4-phenylphenyl)-20,24-diazahexacyclo[12.10.0.02,7.08,13.015,23.017,21]tetracosa-1(14),2,4,6,8,10,12,15(23),16,18,21-undecaene;20-phenyl-24-(4-pyridin-3-yl-2-pyridinyl)-20,24-diazahexacyclo[12.10.0.02,7.08,13.015,23.017,21]tetracosa-1(14),2,4,6,8,10,12,15(23),16,18,21-undecaene;7-phenyl-11-(2-pyridin-3-ylpyrimidin-4-yl)-7,11-diazapentacyclo[10.8.0.02,10.04,8.015,20]icosa-1(12),2(10),3,5,8,13,15,17,19-nonaene (PubChem CID 161240506) has the molecular formula C150H96N14 and a molecular weight of 2094.52 g/mol. Its IUPAC name is 7-phenyl-11-(4-phenylisoquinolin-1-yl)-7,11-diazapentacyclo[10.8.0.02,10.04,8.013,18]icosa-1(12),2(10),3,5,8,13,15,17,19-nonaene;20-phenyl-24-(4-phenylphenyl)-20,24-diazahexacyclo[12.10.0.02,7.08,13.015,23.017,21]tetracosa-1(14),2,4,6,8,10,12,15(23),16,18,21-undecaene;20-phenyl-24-(4-pyridin-3-yl-2-pyridinyl)-20,24-diazahexacyclo[12.10.0.02,7.08,13.015,23.017,21]tetracosa-1(14),2,4,6,8,10,12,15(23),16,18,21-undecaene;7-phenyl-11-(2-pyridin-3-ylpyrimidin-4-yl)-7,11-diazapentacyclo[10.8.0.02,10.04,8.015,20]icosa-1(12),2(10),3,5,8,13,15,17,19-nonaene.

Molecular Properties

• Compound Name: 7-phenyl-11-(4-phenylisoquinolin-1-yl)-7,11-diazapentacyclo[10.8.0.02,10.04,8.013,18]icosa-1(12),2(10),3,5,8,13,15,17,19-nonaene;20-phenyl-24-(4-phenylphenyl)-20,24-diazahexacyclo[12.10.0.02,7.08,13.015,23.017,21]tetracosa-1(14),2,4,6,8,10,12,15(23),16,18,21-undecaene;20-phenyl-24-(4-pyridin-3-yl-2-pyridinyl)-20,24-diazahexacyclo[12.10.0.02,7.08,13.015,23.017,21]tetracosa-1(14),2,4,6,8,10,12,15(23),16,18,21-undecaene;7-phenyl-11-(2-pyridin-3-ylpyrimidin-4-yl)-7,11-diazapentacyclo[10.8.0.02,10.04,8.015,20]icosa-1(12),2(10),3,5,8,13,15,17,19-nonaene
• PubChem CID: 161240506
• Molecular Formula: C150H96N14
• Molecular Weight: 2094.52 g/mol
• Exact Mass: 2092.79
• IUPAC Name: 7-phenyl-11-(4-phenylisoquinolin-1-yl)-7,11-diazapentacyclo[10.8.0.02,10.04,8.013,18]icosa-1(12),2(10),3,5,8,13,15,17,19-nonaene;20-phenyl-24-(4-phenylphenyl)-20,24-diazahexacyclo[12.10.0.02,7.08,13.015,23.017,21]tetracosa-1(14),2,4,6,8,10,12,15(23),16,18,21-undecaene;20-phenyl-24-(4-pyridin-3-yl-2-pyridinyl)-20,24-diazahexacyclo[12.10.0.02,7.08,13.015,23.017,21]tetracosa-1(14),2,4,6,8,10,12,15(23),16,18,21-undecaene;7-phenyl-11-(2-pyridin-3-ylpyrimidin-4-yl)-7,11-diazapentacyclo[10.8.0.02,10.04,8.015,20]icosa-1(12),2(10),3,5,8,13,15,17,19-nonaene
• SMILES: c1ccc(-c2ccc(-n3c4cc5c(ccn5-c5ccccc5)cc4c4c5ccccc5c5ccccc5c43)cc2)cc1.c1ccc(-c2cnc(-n3c4cc5c(ccn5-c5ccccc5)cc4c4ccc5ccccc5c43)c3ccccc23)cc1.c1ccc(-n2ccc3cc4c5c6ccccc6c6ccccc6c5n(-c5cc(-c6cccnc6)ccn5)c4cc32)cc1.c1ccc(-n2ccc3cc4c5c6ccccc6ccc5n(-c5ccnc(-c6cccnc6)n5)c4cc32)cc1
• InChI: InChI=1S/C40H26N2.C39H25N3.C38H24N4.C33H21N5/c1-3-11-27(12-4-1)28-19-21-31(22-20-28)42-38-26-37-29(23-24-41(37)30-13-5-2-6-14-30)25-36(38)39-34-17-9-7-15-32(34)33-16-8-10-18-35(33)40(39)42;1-3-11-26(12-4-1)35-25-40-39(33-18-10-9-17-31(33)35)42-37-24-36-28(21-22-41(36)29-14-5-2-6-15-29)23-34(37)32-20-19-27-13-7-8-16-30(27)38(32)42;1-2-10-28(11-3-1)41-20-17-26-21-33-35(23-34(26)41)42(36-22-25(16-19-40-36)27-9-8-18-39-24-27)38-32-15-7-5-13-30(32)29-12-4-6-14-31(29)37(33)38;1-2-9-25(10-3-1)37-18-15-23-19-27-30(20-29(23)37)38(28-13-12-22-7-4-5-11-26(22)32(27)28)31-14-17-35-33(36-31)24-8-6-16-34-21-24/h1-26H;1-25H;1-24H;1-21H
• InChIKey: UZXYAGSCMGWCKI-UHFFFAOYSA-N
• XLogP: 38.02
• TPSA: 116.78 Ų
• H-Bond Acceptors: 14
• Rotatable Bonds: 12
• Heavy Atoms: 164
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2094.52
LogP ≤ 5	38.02
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	14

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 7-phenyl-11-(4-phenylisoquinolin-1-yl)-7,11-diazapentacyclo[10.8.0.02,10.04,8.013,18]icosa-1(12),2(10),3,5,8,13,15,17,19-nonaene;20-phenyl-24-(4-phenylphenyl)-20,24-diazahexacyclo[12.10.0.02,7.08,13.015,23.017,21]tetracosa-1(14),2,4,6,8,10,12,15(23),16,18,21-undecaene;20-phenyl-24-(4-pyridin-3-yl-2-pyridinyl)-20,24-diazahexacyclo[12.10.0.02,7.08,13.015,23.017,21]tetracosa-1(14),2,4,6,8,10,12,15(23),16,18,21-undecaene;7-phenyl-11-(2-pyridin-3-ylpyrimidin-4-yl)-7,11-diazapentacyclo[10.8.0.02,10.04,8.015,20]icosa-1(12),2(10),3,5,8,13,15,17,19-nonaene?

The IUPAC name of 7-phenyl-11-(4-phenylisoquinolin-1-yl)-7,11-diazapentacyclo[10.8.0.02,10.04,8.013,18]icosa-1(12),2(10),3,5,8,13,15,17,19-nonaene;20-phenyl-24-(4-phenylphenyl)-20,24-diazahexacyclo[12.10.0.02,7.08,13.015,23.017,21]tetracosa-1(14),2,4,6,8,10,12,15(23),16,18,21-undecaene;20-phenyl-24-(4-pyridin-3-yl-2-pyridinyl)-20,24-diazahexacyclo[12.10.0.02,7.08,13.015,23.017,21]tetracosa-1(14),2,4,6,8,10,12,15(23),16,18,21-undecaene;7-phenyl-11-(2-pyridin-3-ylpyrimidin-4-yl)-7,11-diazapentacyclo[10.8.0.02,10.04,8.015,20]icosa-1(12),2(10),3,5,8,13,15,17,19-nonaene (CID 161240506) is 7-phenyl-11-(4-phenylisoquinolin-1-yl)-7,11-diazapentacyclo[10.8.0.02,10.04,8.013,18]icosa-1(12),2(10),3,5,8,13,15,17,19-nonaene;20-phenyl-24-(4-phenylphenyl)-20,24-diazahexacyclo[12.10.0.02,7.08,13.015,23.017,21]tetracosa-1(14),2,4,6,8,10,12,15(23),16,18,21-undecaene;20-phenyl-24-(4-pyridin-3-yl-2-pyridinyl)-20,24-diazahexacyclo[12.10.0.02,7.08,13.015,23.017,21]tetracosa-1(14),2,4,6,8,10,12,15(23),16,18,21-undecaene;7-phenyl-11-(2-pyridin-3-ylpyrimidin-4-yl)-7,11-diazapentacyclo[10.8.0.02,10.04,8.015,20]icosa-1(12),2(10),3,5,8,13,15,17,19-nonaene.

What is the SMILES notation for 7-phenyl-11-(4-phenylisoquinolin-1-yl)-7,11-diazapentacyclo[10.8.0.02,10.04,8.013,18]icosa-1(12),2(10),3,5,8,13,15,17,19-nonaene;20-phenyl-24-(4-phenylphenyl)-20,24-diazahexacyclo[12.10.0.02,7.08,13.015,23.017,21]tetracosa-1(14),2,4,6,8,10,12,15(23),16,18,21-undecaene;20-phenyl-24-(4-pyridin-3-yl-2-pyridinyl)-20,24-diazahexacyclo[12.10.0.02,7.08,13.015,23.017,21]tetracosa-1(14),2,4,6,8,10,12,15(23),16,18,21-undecaene;7-phenyl-11-(2-pyridin-3-ylpyrimidin-4-yl)-7,11-diazapentacyclo[10.8.0.02,10.04,8.015,20]icosa-1(12),2(10),3,5,8,13,15,17,19-nonaene?

The canonical SMILES for 7-phenyl-11-(4-phenylisoquinolin-1-yl)-7,11-diazapentacyclo[10.8.0.02,10.04,8.013,18]icosa-1(12),2(10),3,5,8,13,15,17,19-nonaene;20-phenyl-24-(4-phenylphenyl)-20,24-diazahexacyclo[12.10.0.02,7.08,13.015,23.017,21]tetracosa-1(14),2,4,6,8,10,12,15(23),16,18,21-undecaene;20-phenyl-24-(4-pyridin-3-yl-2-pyridinyl)-20,24-diazahexacyclo[12.10.0.02,7.08,13.015,23.017,21]tetracosa-1(14),2,4,6,8,10,12,15(23),16,18,21-undecaene;7-phenyl-11-(2-pyridin-3-ylpyrimidin-4-yl)-7,11-diazapentacyclo[10.8.0.02,10.04,8.015,20]icosa-1(12),2(10),3,5,8,13,15,17,19-nonaene is c1ccc(-c2ccc(-n3c4cc5c(ccn5-c5ccccc5)cc4c4c5ccccc5c5ccccc5c43)cc2)cc1.c1ccc(-c2cnc(-n3c4cc5c(ccn5-c5ccccc5)cc4c4ccc5ccccc5c43)c3ccccc23)cc1.c1ccc(-n2ccc3cc4c5c6ccccc6c6ccccc6c5n(-c5cc(-c6cccnc6)ccn5)c4cc32)cc1.c1ccc(-n2ccc3cc4c5c6ccccc6ccc5n(-c5ccnc(-c6cccnc6)n5)c4cc32)cc1.

What is the InChIKey of 7-phenyl-11-(4-phenylisoquinolin-1-yl)-7,11-diazapentacyclo[10.8.0.02,10.04,8.013,18]icosa-1(12),2(10),3,5,8,13,15,17,19-nonaene;20-phenyl-24-(4-phenylphenyl)-20,24-diazahexacyclo[12.10.0.02,7.08,13.015,23.017,21]tetracosa-1(14),2,4,6,8,10,12,15(23),16,18,21-undecaene;20-phenyl-24-(4-pyridin-3-yl-2-pyridinyl)-20,24-diazahexacyclo[12.10.0.02,7.08,13.015,23.017,21]tetracosa-1(14),2,4,6,8,10,12,15(23),16,18,21-undecaene;7-phenyl-11-(2-pyridin-3-ylpyrimidin-4-yl)-7,11-diazapentacyclo[10.8.0.02,10.04,8.015,20]icosa-1(12),2(10),3,5,8,13,15,17,19-nonaene?

The InChIKey is UZXYAGSCMGWCKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H26N2.C39H25N3.C38H24N4.C33H21N5/c1-3-11-27(12-4-1)28-19-21-31(22-20-28)42-38-26-37-29(23-24-41(37)30-13-5-2-6-14-30)25-36(38)39-34-17-9-7-15-32(34)33-16-8-10-18-35(33)40(39)42;1-3-11-26(12-4-1)35-25-40-39(33-18-10-9-17-31(33)35)42-37-24-36-28(21-22-41(36)29-14-5-2-6-15-29)23-34(37)32-20-19-27-13-7-8-16-30(27)38(32)42;1-2-10-28(11-3-1)41-20-17-26-21-33-35(23-34(26)41)42(36-22-25(16-19-40-36)27-9-8-18-39-24-27)38-32-15-7-5-13-30(32)29-12-4-6-14-31(29)37(33)38;1-2-9-25(10-3-1)37-18-15-23-19-27-30(20-29(23)37)38(28-13-12-22-7-4-5-11-26(22)32(27)28)31-14-17-35-33(36-31)24-8-6-16-34-21-24/h1-26H;1-25H;1-24H;1-21H.

What are the key properties of 7-phenyl-11-(4-phenylisoquinolin-1-yl)-7,11-diazapentacyclo[10.8.0.02,10.04,8.013,18]icosa-1(12),2(10),3,5,8,13,15,17,19-nonaene;20-phenyl-24-(4-phenylphenyl)-20,24-diazahexacyclo[12.10.0.02,7.08,13.015,23.017,21]tetracosa-1(14),2,4,6,8,10,12,15(23),16,18,21-undecaene;20-phenyl-24-(4-pyridin-3-yl-2-pyridinyl)-20,24-diazahexacyclo[12.10.0.02,7.08,13.015,23.017,21]tetracosa-1(14),2,4,6,8,10,12,15(23),16,18,21-undecaene;7-phenyl-11-(2-pyridin-3-ylpyrimidin-4-yl)-7,11-diazapentacyclo[10.8.0.02,10.04,8.015,20]icosa-1(12),2(10),3,5,8,13,15,17,19-nonaene?

7-phenyl-11-(4-phenylisoquinolin-1-yl)-7,11-diazapentacyclo[10.8.0.02,10.04,8.013,18]icosa-1(12),2(10),3,5,8,13,15,17,19-nonaene;20-phenyl-24-(4-phenylphenyl)-20,24-diazahexacyclo[12.10.0.02,7.08,13.015,23.017,21]tetracosa-1(14),2,4,6,8,10,12,15(23),16,18,21-undecaene;20-phenyl-24-(4-pyridin-3-yl-2-pyridinyl)-20,24-diazahexacyclo[12.10.0.02,7.08,13.015,23.017,21]tetracosa-1(14),2,4,6,8,10,12,15(23),16,18,21-undecaene;7-phenyl-11-(2-pyridin-3-ylpyrimidin-4-yl)-7,11-diazapentacyclo[10.8.0.02,10.04,8.015,20]icosa-1(12),2(10),3,5,8,13,15,17,19-nonaene has a molecular weight of 2094.52 g/mol, XLogP of 38.02, 12 rotatable bonds, 0 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for 7-phenyl-11-(4-phenylisoquinolin-1-yl)-7,11-diazapentacyclo[10.8.0.02,10.04,8.013,18]icosa-1(12),2(10),3,5,8,13,15,17,19-nonaene;20-phenyl-24-(4-phenylphenyl)-20,24-diazahexacyclo[12.10.0.02,7.08,13.015,23.017,21]tetracosa-1(14),2,4,6,8,10,12,15(23),16,18,21-undecaene;20-phenyl-24-(4-pyridin-3-yl-2-pyridinyl)-20,24-diazahexacyclo[12.10.0.02,7.08,13.015,23.017,21]tetracosa-1(14),2,4,6,8,10,12,15(23),16,18,21-undecaene;7-phenyl-11-(2-pyridin-3-ylpyrimidin-4-yl)-7,11-diazapentacyclo[10.8.0.02,10.04,8.015,20]icosa-1(12),2(10),3,5,8,13,15,17,19-nonaene is sourced from PubChem (CID 161240506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).