11-(2,6-dipyridin-2-yl-4-pyridinyl)-14-phenyl-9-thia-15-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1,3,5,7,10,12,14,16,18,20-decaene;14-phenyl-11-[4-(3-phenylphenyl)quinazolin-2-yl]-9-thia-15-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1,3,5,7,10,12,14,16,18,20-decaene;14-phenyl-11-[4-(4-phenylphenyl)quinazolin-2-yl]-9-thia-15-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1,3,5,7,10,12,14,16,18,20-decaene;14-phenyl-11-(4-phenylquinazolin-2-yl)-9-thia-15-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1,3,5,7,10,12,14,16,18,20-decaene

C169H101N13S4 — CID 158006225

About 11-(2,6-dipyridin-2-yl-4-pyridinyl)-14-phenyl-9-thia-15-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1,3,5,7,10,12,14,16,18,20-decaene;14-phenyl-11-[4-(3-phenylphenyl)quinazolin-2-yl]-9-thia-15-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1,3,5,7,10,12,14,16,18,20-decaene;14-phenyl-11-[4-(4-phenylphenyl)quinazolin-2-yl]-9-thia-15-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1,3,5,7,10,12,14,16,18,20-decaene;14-phenyl-11-(4-phenylquinazolin-2-yl)-9-thia-15-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1,3,5,7,10,12,14,16,18,20-decaene

11-(2,6-dipyridin-2-yl-4-pyridinyl)-14-phenyl-9-thia-15-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1,3,5,7,10,12,14,16,18,20-decaene;14-phenyl-11-[4-(3-phenylphenyl)quinazolin-2-yl]-9-thia-15-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1,3,5,7,10,12,14,16,18,20-decaene;14-phenyl-11-[4-(4-phenylphenyl)quinazolin-2-yl]-9-thia-15-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1,3,5,7,10,12,14,16,18,20-decaene;14-phenyl-11-(4-phenylquinazolin-2-yl)-9-thia-15-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1,3,5,7,10,12,14,16,18,20-decaene (PubChem CID 158006225) has the molecular formula C169H101N13S4 and a molecular weight of 2442.03 g/mol. Its IUPAC name is 11-(2,6-dipyridin-2-yl-4-pyridinyl)-14-phenyl-9-thia-15-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1,3,5,7,10,12,14,16,18,20-decaene;14-phenyl-11-[4-(3-phenylphenyl)quinazolin-2-yl]-9-thia-15-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1,3,5,7,10,12,14,16,18,20-decaene;14-phenyl-11-[4-(4-phenylphenyl)quinazolin-2-yl]-9-thia-15-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1,3,5,7,10,12,14,16,18,20-decaene;14-phenyl-11-(4-phenylquinazolin-2-yl)-9-thia-15-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1,3,5,7,10,12,14,16,18,20-decaene.

Molecular Properties

• Compound Name: 11-(2,6-dipyridin-2-yl-4-pyridinyl)-14-phenyl-9-thia-15-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1,3,5,7,10,12,14,16,18,20-decaene;14-phenyl-11-[4-(3-phenylphenyl)quinazolin-2-yl]-9-thia-15-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1,3,5,7,10,12,14,16,18,20-decaene;14-phenyl-11-[4-(4-phenylphenyl)quinazolin-2-yl]-9-thia-15-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1,3,5,7,10,12,14,16,18,20-decaene;14-phenyl-11-(4-phenylquinazolin-2-yl)-9-thia-15-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1,3,5,7,10,12,14,16,18,20-decaene
• PubChem CID: 158006225
• Molecular Formula: C169H101N13S4
• Molecular Weight: 2442.03 g/mol
• Exact Mass: 2439.72
• IUPAC Name: 11-(2,6-dipyridin-2-yl-4-pyridinyl)-14-phenyl-9-thia-15-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1,3,5,7,10,12,14,16,18,20-decaene;14-phenyl-11-[4-(3-phenylphenyl)quinazolin-2-yl]-9-thia-15-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1,3,5,7,10,12,14,16,18,20-decaene;14-phenyl-11-[4-(4-phenylphenyl)quinazolin-2-yl]-9-thia-15-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1,3,5,7,10,12,14,16,18,20-decaene;14-phenyl-11-(4-phenylquinazolin-2-yl)-9-thia-15-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1,3,5,7,10,12,14,16,18,20-decaene
• SMILES: c1ccc(-c2ccc(-c3nc(-c4cc5c(-c6ccccc6)nc6ccccc6c5c5c4sc4ccccc45)nc4ccccc34)cc2)cc1.c1ccc(-c2cccc(-c3nc(-c4cc5c(-c6ccccc6)nc6ccccc6c5c5c4sc4ccccc45)nc4ccccc34)c2)cc1.c1ccc(-c2nc(-c3cc4c(-c5ccccc5)nc5ccccc5c4c4c3sc3ccccc34)nc3ccccc23)cc1.c1ccc(-c2nc3ccccc3c3c2cc(-c2cc(-c4ccccn4)nc(-c4ccccn4)c2)c2sc4ccccc4c23)cc1
• InChI: InChI=1S/2C45H27N3S.C40H24N4S.C39H23N3S/c1-3-14-28(15-4-1)30-18-13-19-31(26-30)43-33-21-8-11-24-38(33)47-45(48-43)36-27-35-40(41-34-22-9-12-25-39(34)49-44(36)41)32-20-7-10-23-37(32)46-42(35)29-16-5-2-6-17-29;1-3-13-28(14-4-1)29-23-25-31(26-24-29)42-33-18-8-11-21-38(33)47-45(48-42)36-27-35-40(41-34-19-9-12-22-39(34)49-44(36)41)32-17-7-10-20-37(32)46-43(35)30-15-5-2-6-16-30;1-2-12-25(13-3-1)39-30-24-29(26-22-34(32-17-8-10-20-41-32)43-35(23-26)33-18-9-11-21-42-33)40-38(28-15-5-7-19-36(28)45-40)37(30)27-14-4-6-16-31(27)44-39;1-3-13-24(14-4-1)36-27-18-8-11-21-32(27)41-39(42-36)30-23-29-34(35-28-19-9-12-22-33(28)43-38(30)35)26-17-7-10-20-31(26)40-37(29)25-15-5-2-6-16-25/h2*1-27H;1-24H;1-23H
• InChIKey: FEICFCKJKUKFEA-UHFFFAOYSA-N
• XLogP: 46.04
• TPSA: 167.57 Ų
• H-Bond Acceptors: 17
• Rotatable Bonds: 15
• Heavy Atoms: 186
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2442.03
LogP ≤ 5	46.04
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	17

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 11-(2,6-dipyridin-2-yl-4-pyridinyl)-14-phenyl-9-thia-15-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1,3,5,7,10,12,14,16,18,20-decaene;14-phenyl-11-[4-(3-phenylphenyl)quinazolin-2-yl]-9-thia-15-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1,3,5,7,10,12,14,16,18,20-decaene;14-phenyl-11-[4-(4-phenylphenyl)quinazolin-2-yl]-9-thia-15-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1,3,5,7,10,12,14,16,18,20-decaene;14-phenyl-11-(4-phenylquinazolin-2-yl)-9-thia-15-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1,3,5,7,10,12,14,16,18,20-decaene?

The IUPAC name of 11-(2,6-dipyridin-2-yl-4-pyridinyl)-14-phenyl-9-thia-15-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1,3,5,7,10,12,14,16,18,20-decaene;14-phenyl-11-[4-(3-phenylphenyl)quinazolin-2-yl]-9-thia-15-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1,3,5,7,10,12,14,16,18,20-decaene;14-phenyl-11-[4-(4-phenylphenyl)quinazolin-2-yl]-9-thia-15-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1,3,5,7,10,12,14,16,18,20-decaene;14-phenyl-11-(4-phenylquinazolin-2-yl)-9-thia-15-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1,3,5,7,10,12,14,16,18,20-decaene (CID 158006225) is 11-(2,6-dipyridin-2-yl-4-pyridinyl)-14-phenyl-9-thia-15-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1,3,5,7,10,12,14,16,18,20-decaene;14-phenyl-11-[4-(3-phenylphenyl)quinazolin-2-yl]-9-thia-15-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1,3,5,7,10,12,14,16,18,20-decaene;14-phenyl-11-[4-(4-phenylphenyl)quinazolin-2-yl]-9-thia-15-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1,3,5,7,10,12,14,16,18,20-decaene;14-phenyl-11-(4-phenylquinazolin-2-yl)-9-thia-15-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1,3,5,7,10,12,14,16,18,20-decaene.

What is the SMILES notation for 11-(2,6-dipyridin-2-yl-4-pyridinyl)-14-phenyl-9-thia-15-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1,3,5,7,10,12,14,16,18,20-decaene;14-phenyl-11-[4-(3-phenylphenyl)quinazolin-2-yl]-9-thia-15-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1,3,5,7,10,12,14,16,18,20-decaene;14-phenyl-11-[4-(4-phenylphenyl)quinazolin-2-yl]-9-thia-15-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1,3,5,7,10,12,14,16,18,20-decaene;14-phenyl-11-(4-phenylquinazolin-2-yl)-9-thia-15-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1,3,5,7,10,12,14,16,18,20-decaene?

The canonical SMILES for 11-(2,6-dipyridin-2-yl-4-pyridinyl)-14-phenyl-9-thia-15-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1,3,5,7,10,12,14,16,18,20-decaene;14-phenyl-11-[4-(3-phenylphenyl)quinazolin-2-yl]-9-thia-15-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1,3,5,7,10,12,14,16,18,20-decaene;14-phenyl-11-[4-(4-phenylphenyl)quinazolin-2-yl]-9-thia-15-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1,3,5,7,10,12,14,16,18,20-decaene;14-phenyl-11-(4-phenylquinazolin-2-yl)-9-thia-15-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1,3,5,7,10,12,14,16,18,20-decaene is c1ccc(-c2ccc(-c3nc(-c4cc5c(-c6ccccc6)nc6ccccc6c5c5c4sc4ccccc45)nc4ccccc34)cc2)cc1.c1ccc(-c2cccc(-c3nc(-c4cc5c(-c6ccccc6)nc6ccccc6c5c5c4sc4ccccc45)nc4ccccc34)c2)cc1.c1ccc(-c2nc(-c3cc4c(-c5ccccc5)nc5ccccc5c4c4c3sc3ccccc34)nc3ccccc23)cc1.c1ccc(-c2nc3ccccc3c3c2cc(-c2cc(-c4ccccn4)nc(-c4ccccn4)c2)c2sc4ccccc4c23)cc1.

What is the InChIKey of 11-(2,6-dipyridin-2-yl-4-pyridinyl)-14-phenyl-9-thia-15-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1,3,5,7,10,12,14,16,18,20-decaene;14-phenyl-11-[4-(3-phenylphenyl)quinazolin-2-yl]-9-thia-15-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1,3,5,7,10,12,14,16,18,20-decaene;14-phenyl-11-[4-(4-phenylphenyl)quinazolin-2-yl]-9-thia-15-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1,3,5,7,10,12,14,16,18,20-decaene;14-phenyl-11-(4-phenylquinazolin-2-yl)-9-thia-15-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1,3,5,7,10,12,14,16,18,20-decaene?

The InChIKey is FEICFCKJKUKFEA-UHFFFAOYSA-N. The full InChI is InChI=1S/2C45H27N3S.C40H24N4S.C39H23N3S/c1-3-14-28(15-4-1)30-18-13-19-31(26-30)43-33-21-8-11-24-38(33)47-45(48-43)36-27-35-40(41-34-22-9-12-25-39(34)49-44(36)41)32-20-7-10-23-37(32)46-42(35)29-16-5-2-6-17-29;1-3-13-28(14-4-1)29-23-25-31(26-24-29)42-33-18-8-11-21-38(33)47-45(48-42)36-27-35-40(41-34-19-9-12-22-39(34)49-44(36)41)32-17-7-10-20-37(32)46-43(35)30-15-5-2-6-16-30;1-2-12-25(13-3-1)39-30-24-29(26-22-34(32-17-8-10-20-41-32)43-35(23-26)33-18-9-11-21-42-33)40-38(28-15-5-7-19-36(28)45-40)37(30)27-14-4-6-16-31(27)44-39;1-3-13-24(14-4-1)36-27-18-8-11-21-32(27)41-39(42-36)30-23-29-34(35-28-19-9-12-22-33(28)43-38(30)35)26-17-7-10-20-31(26)40-37(29)25-15-5-2-6-16-25/h2*1-27H;1-24H;1-23H.

What are the key properties of 11-(2,6-dipyridin-2-yl-4-pyridinyl)-14-phenyl-9-thia-15-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1,3,5,7,10,12,14,16,18,20-decaene;14-phenyl-11-[4-(3-phenylphenyl)quinazolin-2-yl]-9-thia-15-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1,3,5,7,10,12,14,16,18,20-decaene;14-phenyl-11-[4-(4-phenylphenyl)quinazolin-2-yl]-9-thia-15-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1,3,5,7,10,12,14,16,18,20-decaene;14-phenyl-11-(4-phenylquinazolin-2-yl)-9-thia-15-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1,3,5,7,10,12,14,16,18,20-decaene?

11-(2,6-dipyridin-2-yl-4-pyridinyl)-14-phenyl-9-thia-15-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1,3,5,7,10,12,14,16,18,20-decaene;14-phenyl-11-[4-(3-phenylphenyl)quinazolin-2-yl]-9-thia-15-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1,3,5,7,10,12,14,16,18,20-decaene;14-phenyl-11-[4-(4-phenylphenyl)quinazolin-2-yl]-9-thia-15-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1,3,5,7,10,12,14,16,18,20-decaene;14-phenyl-11-(4-phenylquinazolin-2-yl)-9-thia-15-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1,3,5,7,10,12,14,16,18,20-decaene has a molecular weight of 2442.03 g/mol, XLogP of 46.04, 15 rotatable bonds, 0 hydrogen bond donors, and 17 hydrogen bond acceptors.

Where does this data come from?

All data for 11-(2,6-dipyridin-2-yl-4-pyridinyl)-14-phenyl-9-thia-15-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1,3,5,7,10,12,14,16,18,20-decaene;14-phenyl-11-[4-(3-phenylphenyl)quinazolin-2-yl]-9-thia-15-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1,3,5,7,10,12,14,16,18,20-decaene;14-phenyl-11-[4-(4-phenylphenyl)quinazolin-2-yl]-9-thia-15-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1,3,5,7,10,12,14,16,18,20-decaene;14-phenyl-11-(4-phenylquinazolin-2-yl)-9-thia-15-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1,3,5,7,10,12,14,16,18,20-decaene is sourced from PubChem (CID 158006225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).