11-[2-(9,9-dimethylacridin-10-yl)phenyl]-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;11-[3-(9,9-dimethylacridin-10-yl)phenyl]-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;11-[4-(9,9-dimethylacridin-10-yl)phenyl]-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;11-(9,9-dimethylacridin-10-yl)-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

C178H124N8S4 — CID 159542711

About 11-[2-(9,9-dimethylacridin-10-yl)phenyl]-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;11-[3-(9,9-dimethylacridin-10-yl)phenyl]-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;11-[4-(9,9-dimethylacridin-10-yl)phenyl]-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;11-(9,9-dimethylacridin-10-yl)-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

11-[2-(9,9-dimethylacridin-10-yl)phenyl]-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;11-[3-(9,9-dimethylacridin-10-yl)phenyl]-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;11-[4-(9,9-dimethylacridin-10-yl)phenyl]-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;11-(9,9-dimethylacridin-10-yl)-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 (PubChem CID 159542711) has the molecular formula C178H124N8S4 and a molecular weight of 2503.27 g/mol. Its IUPAC name is 11-[2-(9,9-dimethylacridin-10-yl)phenyl]-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;11-[3-(9,9-dimethylacridin-10-yl)phenyl]-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;11-[4-(9,9-dimethylacridin-10-yl)phenyl]-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;11-(9,9-dimethylacridin-10-yl)-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.

Molecular Properties

• Compound Name: 11-[2-(9,9-dimethylacridin-10-yl)phenyl]-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;11-[3-(9,9-dimethylacridin-10-yl)phenyl]-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;11-[4-(9,9-dimethylacridin-10-yl)phenyl]-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;11-(9,9-dimethylacridin-10-yl)-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
• PubChem CID: 159542711
• Molecular Formula: C178H124N8S4
• Molecular Weight: 2503.27 g/mol
• Exact Mass: 2500.88
• IUPAC Name: 11-[2-(9,9-dimethylacridin-10-yl)phenyl]-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;11-[3-(9,9-dimethylacridin-10-yl)phenyl]-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;11-[4-(9,9-dimethylacridin-10-yl)phenyl]-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;11-(9,9-dimethylacridin-10-yl)-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
• SMILES: CC1(C)c2ccccc2N(c2cc3c(-c4ccccc4)nc4ccccc4c3c3c2sc2ccccc23)c2ccccc21.CC1(C)c2ccccc2N(c2ccc(-c3cc4c(-c5ccccc5)nc5ccccc5c4c4c3sc3ccccc34)cc2)c2ccccc21.CC1(C)c2ccccc2N(c2cccc(-c3cc4c(-c5ccccc5)nc5ccccc5c4c4c3sc3ccccc34)c2)c2ccccc21.CC1(C)c2ccccc2N(c2ccccc2-c2cc3c(-c4ccccc4)nc4ccccc4c3c3c2sc2ccccc23)c2ccccc21
• InChI: InChI=1S/3C46H32N2S.C40H28N2S/c1-46(2)35-21-9-13-25-39(35)48(40-26-14-10-22-36(40)46)38-24-12-7-18-30(38)33-28-34-42(43-32-20-8-15-27-41(32)49-45(33)43)31-19-6-11-23-37(31)47-44(34)29-16-4-3-5-17-29;1-46(2)36-21-8-11-24-39(36)48(40-25-12-9-22-37(40)46)31-18-14-17-30(27-31)34-28-35-42(43-33-20-7-13-26-41(33)49-45(34)43)32-19-6-10-23-38(32)47-44(35)29-15-4-3-5-16-29;1-46(2)36-18-8-11-21-39(36)48(40-22-12-9-19-37(40)46)31-26-24-29(25-27-31)34-28-35-42(43-33-17-7-13-23-41(33)49-45(34)43)32-16-6-10-20-38(32)47-44(35)30-14-4-3-5-15-30;1-40(2)29-18-8-11-21-32(29)42(33-22-12-9-19-30(33)40)34-24-28-36(37-27-17-7-13-23-35(27)43-39(34)37)26-16-6-10-20-31(26)41-38(28)25-14-4-3-5-15-25/h3*3-28H,1-2H3;3-24H,1-2H3
• InChIKey: MEKNDSDVZSOQHO-UHFFFAOYSA-N
• XLogP: 51.13
• TPSA: 64.52 Ų
• H-Bond Acceptors: 12
• Rotatable Bonds: 11
• Heavy Atoms: 190
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2503.27
LogP ≤ 5	51.13
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	12

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-(9,9-dimethylacridin-10-yl)phenyl]-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;11-[3-(9,9-dimethylacridin-10-yl)phenyl]-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;11-[4-(9,9-dimethylacridin-10-yl)phenyl]-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;11-(9,9-dimethylacridin-10-yl)-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?

The IUPAC name of 11-[2-(9,9-dimethylacridin-10-yl)phenyl]-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;11-[3-(9,9-dimethylacridin-10-yl)phenyl]-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;11-[4-(9,9-dimethylacridin-10-yl)phenyl]-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;11-(9,9-dimethylacridin-10-yl)-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 (CID 159542711) is 11-[2-(9,9-dimethylacridin-10-yl)phenyl]-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;11-[3-(9,9-dimethylacridin-10-yl)phenyl]-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;11-[4-(9,9-dimethylacridin-10-yl)phenyl]-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;11-(9,9-dimethylacridin-10-yl)-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.

What is the SMILES notation for 11-[2-(9,9-dimethylacridin-10-yl)phenyl]-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;11-[3-(9,9-dimethylacridin-10-yl)phenyl]-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;11-[4-(9,9-dimethylacridin-10-yl)phenyl]-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;11-(9,9-dimethylacridin-10-yl)-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?

The canonical SMILES for 11-[2-(9,9-dimethylacridin-10-yl)phenyl]-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;11-[3-(9,9-dimethylacridin-10-yl)phenyl]-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;11-[4-(9,9-dimethylacridin-10-yl)phenyl]-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;11-(9,9-dimethylacridin-10-yl)-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 is CC1(C)c2ccccc2N(c2cc3c(-c4ccccc4)nc4ccccc4c3c3c2sc2ccccc23)c2ccccc21.CC1(C)c2ccccc2N(c2ccc(-c3cc4c(-c5ccccc5)nc5ccccc5c4c4c3sc3ccccc34)cc2)c2ccccc21.CC1(C)c2ccccc2N(c2cccc(-c3cc4c(-c5ccccc5)nc5ccccc5c4c4c3sc3ccccc34)c2)c2ccccc21.CC1(C)c2ccccc2N(c2ccccc2-c2cc3c(-c4ccccc4)nc4ccccc4c3c3c2sc2ccccc23)c2ccccc21.

What is the InChIKey of 11-[2-(9,9-dimethylacridin-10-yl)phenyl]-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;11-[3-(9,9-dimethylacridin-10-yl)phenyl]-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;11-[4-(9,9-dimethylacridin-10-yl)phenyl]-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;11-(9,9-dimethylacridin-10-yl)-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?

The InChIKey is MEKNDSDVZSOQHO-UHFFFAOYSA-N. The full InChI is InChI=1S/3C46H32N2S.C40H28N2S/c1-46(2)35-21-9-13-25-39(35)48(40-26-14-10-22-36(40)46)38-24-12-7-18-30(38)33-28-34-42(43-32-20-8-15-27-41(32)49-45(33)43)31-19-6-11-23-37(31)47-44(34)29-16-4-3-5-17-29;1-46(2)36-21-8-11-24-39(36)48(40-25-12-9-22-37(40)46)31-18-14-17-30(27-31)34-28-35-42(43-33-20-7-13-26-41(33)49-45(34)43)32-19-6-10-23-38(32)47-44(35)29-15-4-3-5-16-29;1-46(2)36-18-8-11-21-39(36)48(40-22-12-9-19-37(40)46)31-26-24-29(25-27-31)34-28-35-42(43-33-17-7-13-23-41(33)49-45(34)43)32-16-6-10-20-38(32)47-44(35)30-14-4-3-5-15-30;1-40(2)29-18-8-11-21-32(29)42(33-22-12-9-19-30(33)40)34-24-28-36(37-27-17-7-13-23-35(27)43-39(34)37)26-16-6-10-20-31(26)41-38(28)25-14-4-3-5-15-25/h3*3-28H,1-2H3;3-24H,1-2H3.

What are the key properties of 11-[2-(9,9-dimethylacridin-10-yl)phenyl]-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;11-[3-(9,9-dimethylacridin-10-yl)phenyl]-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;11-[4-(9,9-dimethylacridin-10-yl)phenyl]-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;11-(9,9-dimethylacridin-10-yl)-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?

11-[2-(9,9-dimethylacridin-10-yl)phenyl]-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;11-[3-(9,9-dimethylacridin-10-yl)phenyl]-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;11-[4-(9,9-dimethylacridin-10-yl)phenyl]-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;11-(9,9-dimethylacridin-10-yl)-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 has a molecular weight of 2503.27 g/mol, XLogP of 51.13, 11 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 11-[2-(9,9-dimethylacridin-10-yl)phenyl]-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;11-[3-(9,9-dimethylacridin-10-yl)phenyl]-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;11-[4-(9,9-dimethylacridin-10-yl)phenyl]-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;11-(9,9-dimethylacridin-10-yl)-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 is sourced from PubChem (CID 159542711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).