5-[9,9,10,10,24,24,25,25-octamethyl-13,21,28-tris(pyrido[4,3-b]indol-5-yl)-2,17-dithia-9,10,24,25-tetrasilaheptacyclo[24.4.0.03,8.04,30.011,16.015,19.018,23]triaconta-1(30),3,5,7,11,13,15,18,20,22,26,28-dodecaen-6-yl]pyrido[4,3-b]indole

C76H60N8S2Si4 — CID 140731847

About 5-[9,9,10,10,24,24,25,25-octamethyl-13,21,28-tris(pyrido[4,3-b]indol-5-yl)-2,17-dithia-9,10,24,25-tetrasilaheptacyclo[24.4.0.03,8.04,30.011,16.015,19.018,23]triaconta-1(30),3,5,7,11,13,15,18,20,22,26,28-dodecaen-6-yl]pyrido[4,3-b]indole

5-[9,9,10,10,24,24,25,25-octamethyl-13,21,28-tris(pyrido[4,3-b]indol-5-yl)-2,17-dithia-9,10,24,25-tetrasilaheptacyclo[24.4.0.03,8.04,30.011,16.015,19.018,23]triaconta-1(30),3,5,7,11,13,15,18,20,22,26,28-dodecaen-6-yl]pyrido[4,3-b]indole (PubChem CID 140731847) has the molecular formula C76H60N8S2Si4 and a molecular weight of 1261.85 g/mol. Its IUPAC name is 5-[9,9,10,10,24,24,25,25-octamethyl-13,21,28-tris(pyrido[4,3-b]indol-5-yl)-2,17-dithia-9,10,24,25-tetrasilaheptacyclo[24.4.0.03,8.04,30.011,16.015,19.018,23]triaconta-1(30),3,5,7,11,13,15,18,20,22,26,28-dodecaen-6-yl]pyrido[4,3-b]indole.

Molecular Properties

• Compound Name: 5-[9,9,10,10,24,24,25,25-octamethyl-13,21,28-tris(pyrido[4,3-b]indol-5-yl)-2,17-dithia-9,10,24,25-tetrasilaheptacyclo[24.4.0.03,8.04,30.011,16.015,19.018,23]triaconta-1(30),3,5,7,11,13,15,18,20,22,26,28-dodecaen-6-yl]pyrido[4,3-b]indole
• PubChem CID: 140731847
• Molecular Formula: C76H60N8S2Si4
• Molecular Weight: 1261.85 g/mol
• Exact Mass: 1260.35
• IUPAC Name: 5-[9,9,10,10,24,24,25,25-octamethyl-13,21,28-tris(pyrido[4,3-b]indol-5-yl)-2,17-dithia-9,10,24,25-tetrasilaheptacyclo[24.4.0.03,8.04,30.011,16.015,19.018,23]triaconta-1(30),3,5,7,11,13,15,18,20,22,26,28-dodecaen-6-yl]pyrido[4,3-b]indole
• SMILES: C[Si]1(C)c2cc(-n3c4ccccc4c4cnccc43)cc3c2sc2c(cc(-n4c5ccccc5c5cnccc54)cc23)[Si](C)(C)[Si](C)(C)c2cc(-n3c4ccccc4c4cnccc43)cc3c2sc2c(cc(-n4c5ccccc5c5cnccc54)cc23)[Si]1(C)C
• InChI: InChI=1S/C76H60N8S2Si4/c1-87(2)69-37-45(81-61-21-13-9-17-49(61)57-41-77-29-25-65(57)81)33-53-54-35-47(83-63-23-15-11-19-51(63)59-43-79-31-27-67(59)83)39-71(75(54)85-73(53)69)89(5,6)90(7,8)72-40-48(84-64-24-16-12-20-52(64)60-44-80-32-28-68(60)84)36-56-55-34-46(38-70(88(87,3)4)74(55)86-76(56)72)82-62-22-14-10-18-50(62)58-42-78-30-26-66(58)82/h9-44H,1-8H3
• InChIKey: RRBWYAUFJLAEPZ-UHFFFAOYSA-N
• XLogP: 17.92
• TPSA: 71.28 Ų
• H-Bond Acceptors: 10
• Rotatable Bonds: 4
• Heavy Atoms: 90
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1261.85
LogP ≤ 5	17.92
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 5-[9,9,10,10,24,24,25,25-octamethyl-13,21,28-tris(pyrido[4,3-b]indol-5-yl)-2,17-dithia-9,10,24,25-tetrasilaheptacyclo[24.4.0.03,8.04,30.011,16.015,19.018,23]triaconta-1(30),3,5,7,11,13,15,18,20,22,26,28-dodecaen-6-yl]pyrido[4,3-b]indole?

The IUPAC name of 5-[9,9,10,10,24,24,25,25-octamethyl-13,21,28-tris(pyrido[4,3-b]indol-5-yl)-2,17-dithia-9,10,24,25-tetrasilaheptacyclo[24.4.0.03,8.04,30.011,16.015,19.018,23]triaconta-1(30),3,5,7,11,13,15,18,20,22,26,28-dodecaen-6-yl]pyrido[4,3-b]indole (CID 140731847) is 5-[9,9,10,10,24,24,25,25-octamethyl-13,21,28-tris(pyrido[4,3-b]indol-5-yl)-2,17-dithia-9,10,24,25-tetrasilaheptacyclo[24.4.0.03,8.04,30.011,16.015,19.018,23]triaconta-1(30),3,5,7,11,13,15,18,20,22,26,28-dodecaen-6-yl]pyrido[4,3-b]indole.

What is the SMILES notation for 5-[9,9,10,10,24,24,25,25-octamethyl-13,21,28-tris(pyrido[4,3-b]indol-5-yl)-2,17-dithia-9,10,24,25-tetrasilaheptacyclo[24.4.0.03,8.04,30.011,16.015,19.018,23]triaconta-1(30),3,5,7,11,13,15,18,20,22,26,28-dodecaen-6-yl]pyrido[4,3-b]indole?

The canonical SMILES for 5-[9,9,10,10,24,24,25,25-octamethyl-13,21,28-tris(pyrido[4,3-b]indol-5-yl)-2,17-dithia-9,10,24,25-tetrasilaheptacyclo[24.4.0.03,8.04,30.011,16.015,19.018,23]triaconta-1(30),3,5,7,11,13,15,18,20,22,26,28-dodecaen-6-yl]pyrido[4,3-b]indole is C[Si]1(C)c2cc(-n3c4ccccc4c4cnccc43)cc3c2sc2c(cc(-n4c5ccccc5c5cnccc54)cc23)[Si](C)(C)[Si](C)(C)c2cc(-n3c4ccccc4c4cnccc43)cc3c2sc2c(cc(-n4c5ccccc5c5cnccc54)cc23)[Si]1(C)C.

What is the InChIKey of 5-[9,9,10,10,24,24,25,25-octamethyl-13,21,28-tris(pyrido[4,3-b]indol-5-yl)-2,17-dithia-9,10,24,25-tetrasilaheptacyclo[24.4.0.03,8.04,30.011,16.015,19.018,23]triaconta-1(30),3,5,7,11,13,15,18,20,22,26,28-dodecaen-6-yl]pyrido[4,3-b]indole?

The InChIKey is RRBWYAUFJLAEPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C76H60N8S2Si4/c1-87(2)69-37-45(81-61-21-13-9-17-49(61)57-41-77-29-25-65(57)81)33-53-54-35-47(83-63-23-15-11-19-51(63)59-43-79-31-27-67(59)83)39-71(75(54)85-73(53)69)89(5,6)90(7,8)72-40-48(84-64-24-16-12-20-52(64)60-44-80-32-28-68(60)84)36-56-55-34-46(38-70(88(87,3)4)74(55)86-76(56)72)82-62-22-14-10-18-50(62)58-42-78-30-26-66(58)82/h9-44H,1-8H3.

What are the key properties of 5-[9,9,10,10,24,24,25,25-octamethyl-13,21,28-tris(pyrido[4,3-b]indol-5-yl)-2,17-dithia-9,10,24,25-tetrasilaheptacyclo[24.4.0.03,8.04,30.011,16.015,19.018,23]triaconta-1(30),3,5,7,11,13,15,18,20,22,26,28-dodecaen-6-yl]pyrido[4,3-b]indole?

5-[9,9,10,10,24,24,25,25-octamethyl-13,21,28-tris(pyrido[4,3-b]indol-5-yl)-2,17-dithia-9,10,24,25-tetrasilaheptacyclo[24.4.0.03,8.04,30.011,16.015,19.018,23]triaconta-1(30),3,5,7,11,13,15,18,20,22,26,28-dodecaen-6-yl]pyrido[4,3-b]indole has a molecular weight of 1261.85 g/mol, XLogP of 17.92, 4 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[9,9,10,10,24,24,25,25-octamethyl-13,21,28-tris(pyrido[4,3-b]indol-5-yl)-2,17-dithia-9,10,24,25-tetrasilaheptacyclo[24.4.0.03,8.04,30.011,16.015,19.018,23]triaconta-1(30),3,5,7,11,13,15,18,20,22,26,28-dodecaen-6-yl]pyrido[4,3-b]indole is sourced from PubChem (CID 140731847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).