9-[4-(20-phenyl-20-silapentacyclo[19.4.0.02,7.08,13.014,19]pentacosa-1(25),2,4,6,8,10,12,14,16,18,21,23-dodecaen-20-yl)phenyl]carbazole

C48H33NSi — CID 164739104

About 9-[4-(20-phenyl-20-silapentacyclo[19.4.0.02,7.08,13.014,19]pentacosa-1(25),2,4,6,8,10,12,14,16,18,21,23-dodecaen-20-yl)phenyl]carbazole

9-[4-(20-phenyl-20-silapentacyclo[19.4.0.02,7.08,13.014,19]pentacosa-1(25),2,4,6,8,10,12,14,16,18,21,23-dodecaen-20-yl)phenyl]carbazole (PubChem CID 164739104) has the molecular formula C48H33NSi and a molecular weight of 651.89 g/mol. Its IUPAC name is 9-[4-(20-phenyl-20-silapentacyclo[19.4.0.02,7.08,13.014,19]pentacosa-1(25),2,4,6,8,10,12,14,16,18,21,23-dodecaen-20-yl)phenyl]carbazole.

Molecular Properties

• Compound Name: 9-[4-(20-phenyl-20-silapentacyclo[19.4.0.02,7.08,13.014,19]pentacosa-1(25),2,4,6,8,10,12,14,16,18,21,23-dodecaen-20-yl)phenyl]carbazole
• PubChem CID: 164739104
• Molecular Formula: C48H33NSi
• Molecular Weight: 651.89 g/mol
• Exact Mass: 651.24
• IUPAC Name: 9-[4-(20-phenyl-20-silapentacyclo[19.4.0.02,7.08,13.014,19]pentacosa-1(25),2,4,6,8,10,12,14,16,18,21,23-dodecaen-20-yl)phenyl]carbazole
• SMILES: c1ccc([Si]2(c3ccc(-n4c5ccccc5c5ccccc54)cc3)c3ccccc3-c3ccccc3-c3ccccc3-c3ccccc32)cc1
• InChI: InChI=1S/C48H33NSi/c1-2-16-35(17-3-1)50(36-32-30-34(31-33-36)49-45-26-12-8-22-41(45)42-23-9-13-27-46(42)49)47-28-14-10-24-43(47)39-20-6-4-18-37(39)38-19-5-7-21-40(38)44-25-11-15-29-48(44)50/h1-33H
• InChIKey: HXMQQEXNXWJHMX-UHFFFAOYSA-N
• XLogP: 9.48
• TPSA: 4.93 Ų
• H-Bond Acceptors: 1
• Rotatable Bonds: 3
• Heavy Atoms: 50
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	651.89
LogP ≤ 5	9.48
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	1

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 9-[4-(20-phenyl-20-silapentacyclo[19.4.0.02,7.08,13.014,19]pentacosa-1(25),2,4,6,8,10,12,14,16,18,21,23-dodecaen-20-yl)phenyl]carbazole?

The IUPAC name of 9-[4-(20-phenyl-20-silapentacyclo[19.4.0.02,7.08,13.014,19]pentacosa-1(25),2,4,6,8,10,12,14,16,18,21,23-dodecaen-20-yl)phenyl]carbazole (CID 164739104) is 9-[4-(20-phenyl-20-silapentacyclo[19.4.0.02,7.08,13.014,19]pentacosa-1(25),2,4,6,8,10,12,14,16,18,21,23-dodecaen-20-yl)phenyl]carbazole.

What is the SMILES notation for 9-[4-(20-phenyl-20-silapentacyclo[19.4.0.02,7.08,13.014,19]pentacosa-1(25),2,4,6,8,10,12,14,16,18,21,23-dodecaen-20-yl)phenyl]carbazole?

The canonical SMILES for 9-[4-(20-phenyl-20-silapentacyclo[19.4.0.02,7.08,13.014,19]pentacosa-1(25),2,4,6,8,10,12,14,16,18,21,23-dodecaen-20-yl)phenyl]carbazole is c1ccc([Si]2(c3ccc(-n4c5ccccc5c5ccccc54)cc3)c3ccccc3-c3ccccc3-c3ccccc3-c3ccccc32)cc1.

What is the InChIKey of 9-[4-(20-phenyl-20-silapentacyclo[19.4.0.02,7.08,13.014,19]pentacosa-1(25),2,4,6,8,10,12,14,16,18,21,23-dodecaen-20-yl)phenyl]carbazole?

The InChIKey is HXMQQEXNXWJHMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H33NSi/c1-2-16-35(17-3-1)50(36-32-30-34(31-33-36)49-45-26-12-8-22-41(45)42-23-9-13-27-46(42)49)47-28-14-10-24-43(47)39-20-6-4-18-37(39)38-19-5-7-21-40(38)44-25-11-15-29-48(44)50/h1-33H.

What are the key properties of 9-[4-(20-phenyl-20-silapentacyclo[19.4.0.02,7.08,13.014,19]pentacosa-1(25),2,4,6,8,10,12,14,16,18,21,23-dodecaen-20-yl)phenyl]carbazole?

9-[4-(20-phenyl-20-silapentacyclo[19.4.0.02,7.08,13.014,19]pentacosa-1(25),2,4,6,8,10,12,14,16,18,21,23-dodecaen-20-yl)phenyl]carbazole has a molecular weight of 651.89 g/mol, XLogP of 9.48, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for 9-[4-(20-phenyl-20-silapentacyclo[19.4.0.02,7.08,13.014,19]pentacosa-1(25),2,4,6,8,10,12,14,16,18,21,23-dodecaen-20-yl)phenyl]carbazole is sourced from PubChem (CID 164739104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).