10-dibenzothiophen-2-yl-14-[6-(9,9-dimethylacridin-10-yl)-5,10-di(propan-2-yl)pyren-1-yl]-21,21-dimethyl-10,14-diazapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene

C70H57N3S — CID 146213523

About 10-dibenzothiophen-2-yl-14-[6-(9,9-dimethylacridin-10-yl)-5,10-di(propan-2-yl)pyren-1-yl]-21,21-dimethyl-10,14-diazapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene

10-dibenzothiophen-2-yl-14-[6-(9,9-dimethylacridin-10-yl)-5,10-di(propan-2-yl)pyren-1-yl]-21,21-dimethyl-10,14-diazapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene (PubChem CID 146213523) has the molecular formula C70H57N3S and a molecular weight of 972.31 g/mol. Its IUPAC name is 10-dibenzothiophen-2-yl-14-[6-(9,9-dimethylacridin-10-yl)-5,10-di(propan-2-yl)pyren-1-yl]-21,21-dimethyl-10,14-diazapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene.

Molecular Properties

• Compound Name: 10-dibenzothiophen-2-yl-14-[6-(9,9-dimethylacridin-10-yl)-5,10-di(propan-2-yl)pyren-1-yl]-21,21-dimethyl-10,14-diazapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene
• PubChem CID: 146213523
• Molecular Formula: C70H57N3S
• Molecular Weight: 972.31 g/mol
• Exact Mass: 971.43
• IUPAC Name: 10-dibenzothiophen-2-yl-14-[6-(9,9-dimethylacridin-10-yl)-5,10-di(propan-2-yl)pyren-1-yl]-21,21-dimethyl-10,14-diazapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene
• SMILES: CC(C)c1cc2ccc(N3c4ccccc4C(C)(C)c4cc5c6ccccc6n(-c6ccc7sc8ccccc8c7c6)c5cc43)c3c(C(C)C)cc4ccc(N5c6ccccc6C(C)(C)c6ccccc65)c1c4c23
• InChI: InChI=1S/C70H57N3S/c1-40(2)47-35-43-30-33-60(68-48(41(3)4)36-42-29-32-59(67(47)65(42)66(43)68)72-56-25-15-11-21-51(56)69(5,6)52-22-12-16-26-57(52)72)73-58-27-17-13-23-53(58)70(7,8)54-38-49-45-19-9-14-24-55(45)71(61(49)39-62(54)73)44-31-34-64-50(37-44)46-20-10-18-28-63(46)74-64/h9-41H,1-8H3
• InChIKey: YGAQYVJQJVIWOG-UHFFFAOYSA-N
• XLogP: 20.51
• TPSA: 11.41 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 74
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	972.31
LogP ≤ 5	20.51
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 10-dibenzothiophen-2-yl-14-[6-(9,9-dimethylacridin-10-yl)-5,10-di(propan-2-yl)pyren-1-yl]-21,21-dimethyl-10,14-diazapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene?

The IUPAC name of 10-dibenzothiophen-2-yl-14-[6-(9,9-dimethylacridin-10-yl)-5,10-di(propan-2-yl)pyren-1-yl]-21,21-dimethyl-10,14-diazapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene (CID 146213523) is 10-dibenzothiophen-2-yl-14-[6-(9,9-dimethylacridin-10-yl)-5,10-di(propan-2-yl)pyren-1-yl]-21,21-dimethyl-10,14-diazapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene.

What is the SMILES notation for 10-dibenzothiophen-2-yl-14-[6-(9,9-dimethylacridin-10-yl)-5,10-di(propan-2-yl)pyren-1-yl]-21,21-dimethyl-10,14-diazapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene?

The canonical SMILES for 10-dibenzothiophen-2-yl-14-[6-(9,9-dimethylacridin-10-yl)-5,10-di(propan-2-yl)pyren-1-yl]-21,21-dimethyl-10,14-diazapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene is CC(C)c1cc2ccc(N3c4ccccc4C(C)(C)c4cc5c6ccccc6n(-c6ccc7sc8ccccc8c7c6)c5cc43)c3c(C(C)C)cc4ccc(N5c6ccccc6C(C)(C)c6ccccc65)c1c4c23.

What is the InChIKey of 10-dibenzothiophen-2-yl-14-[6-(9,9-dimethylacridin-10-yl)-5,10-di(propan-2-yl)pyren-1-yl]-21,21-dimethyl-10,14-diazapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene?

The InChIKey is YGAQYVJQJVIWOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C70H57N3S/c1-40(2)47-35-43-30-33-60(68-48(41(3)4)36-42-29-32-59(67(47)65(42)66(43)68)72-56-25-15-11-21-51(56)69(5,6)52-22-12-16-26-57(52)72)73-58-27-17-13-23-53(58)70(7,8)54-38-49-45-19-9-14-24-55(45)71(61(49)39-62(54)73)44-31-34-64-50(37-44)46-20-10-18-28-63(46)74-64/h9-41H,1-8H3.

What are the key properties of 10-dibenzothiophen-2-yl-14-[6-(9,9-dimethylacridin-10-yl)-5,10-di(propan-2-yl)pyren-1-yl]-21,21-dimethyl-10,14-diazapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene?

10-dibenzothiophen-2-yl-14-[6-(9,9-dimethylacridin-10-yl)-5,10-di(propan-2-yl)pyren-1-yl]-21,21-dimethyl-10,14-diazapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene has a molecular weight of 972.31 g/mol, XLogP of 20.51, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 10-dibenzothiophen-2-yl-14-[6-(9,9-dimethylacridin-10-yl)-5,10-di(propan-2-yl)pyren-1-yl]-21,21-dimethyl-10,14-diazapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene is sourced from PubChem (CID 146213523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).