(13,13-diphenyl-12-pyridin-2-yl-[1,4]benzoxasilino[3,2-a]carbazol-10-yl)-imidazo[1,2-f]phenanthridin-11-yl-diphenylsilane

C62H42N4OSi2 — CID 140955845

About (13,13-diphenyl-12-pyridin-2-yl-[1,4]benzoxasilino[3,2-a]carbazol-10-yl)-imidazo[1,2-f]phenanthridin-11-yl-diphenylsilane

(13,13-diphenyl-12-pyridin-2-yl-[1,4]benzoxasilino[3,2-a]carbazol-10-yl)-imidazo[1,2-f]phenanthridin-11-yl-diphenylsilane (PubChem CID 140955845) has the molecular formula C62H42N4OSi2 and a molecular weight of 915.22 g/mol. Its IUPAC name is (13,13-diphenyl-12-pyridin-2-yl-[1,4]benzoxasilino[3,2-a]carbazol-10-yl)-imidazo[1,2-f]phenanthridin-11-yl-diphenylsilane.

Molecular Properties

• Compound Name: (13,13-diphenyl-12-pyridin-2-yl-[1,4]benzoxasilino[3,2-a]carbazol-10-yl)-imidazo[1,2-f]phenanthridin-11-yl-diphenylsilane
• PubChem CID: 140955845
• Molecular Formula: C62H42N4OSi2
• Molecular Weight: 915.22 g/mol
• Exact Mass: 914.29
• IUPAC Name: (13,13-diphenyl-12-pyridin-2-yl-[1,4]benzoxasilino[3,2-a]carbazol-10-yl)-imidazo[1,2-f]phenanthridin-11-yl-diphenylsilane
• SMILES: c1ccc([Si](c2ccccc2)(c2ccc3c4ccccc4n4ccnc4c3c2)c2ccc3c4ccc5c(c4n(-c4ccccn4)c3c2)[Si](c2ccccc2)(c2ccccc2)c2ccccc2O5)cc1
• InChI: InChI=1S/C62H42N4OSi2/c1-5-19-43(20-6-1)68(44-21-7-2-8-22-44,47-32-34-49-50-27-13-14-28-54(50)65-40-39-64-62(65)53(49)41-47)48-33-35-51-52-36-37-57-61(60(52)66(55(51)42-48)59-31-17-18-38-63-59)69(45-23-9-3-10-24-45,46-25-11-4-12-26-46)58-30-16-15-29-56(58)67-57/h1-42H
• InChIKey: MYOAOESVOMCLSW-UHFFFAOYSA-N
• XLogP: 8.99
• TPSA: 44.35 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 69
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	915.22
LogP ≤ 5	8.99
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}, {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (13,13-diphenyl-12-pyridin-2-yl-[1,4]benzoxasilino[3,2-a]carbazol-10-yl)-imidazo[1,2-f]phenanthridin-11-yl-diphenylsilane?

The IUPAC name of (13,13-diphenyl-12-pyridin-2-yl-[1,4]benzoxasilino[3,2-a]carbazol-10-yl)-imidazo[1,2-f]phenanthridin-11-yl-diphenylsilane (CID 140955845) is (13,13-diphenyl-12-pyridin-2-yl-[1,4]benzoxasilino[3,2-a]carbazol-10-yl)-imidazo[1,2-f]phenanthridin-11-yl-diphenylsilane.

What is the SMILES notation for (13,13-diphenyl-12-pyridin-2-yl-[1,4]benzoxasilino[3,2-a]carbazol-10-yl)-imidazo[1,2-f]phenanthridin-11-yl-diphenylsilane?

The canonical SMILES for (13,13-diphenyl-12-pyridin-2-yl-[1,4]benzoxasilino[3,2-a]carbazol-10-yl)-imidazo[1,2-f]phenanthridin-11-yl-diphenylsilane is c1ccc([Si](c2ccccc2)(c2ccc3c4ccccc4n4ccnc4c3c2)c2ccc3c4ccc5c(c4n(-c4ccccn4)c3c2)[Si](c2ccccc2)(c2ccccc2)c2ccccc2O5)cc1.

What is the InChIKey of (13,13-diphenyl-12-pyridin-2-yl-[1,4]benzoxasilino[3,2-a]carbazol-10-yl)-imidazo[1,2-f]phenanthridin-11-yl-diphenylsilane?

The InChIKey is MYOAOESVOMCLSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C62H42N4OSi2/c1-5-19-43(20-6-1)68(44-21-7-2-8-22-44,47-32-34-49-50-27-13-14-28-54(50)65-40-39-64-62(65)53(49)41-47)48-33-35-51-52-36-37-57-61(60(52)66(55(51)42-48)59-31-17-18-38-63-59)69(45-23-9-3-10-24-45,46-25-11-4-12-26-46)58-30-16-15-29-56(58)67-57/h1-42H.

What are the key properties of (13,13-diphenyl-12-pyridin-2-yl-[1,4]benzoxasilino[3,2-a]carbazol-10-yl)-imidazo[1,2-f]phenanthridin-11-yl-diphenylsilane?

(13,13-diphenyl-12-pyridin-2-yl-[1,4]benzoxasilino[3,2-a]carbazol-10-yl)-imidazo[1,2-f]phenanthridin-11-yl-diphenylsilane has a molecular weight of 915.22 g/mol, XLogP of 8.99, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (13,13-diphenyl-12-pyridin-2-yl-[1,4]benzoxasilino[3,2-a]carbazol-10-yl)-imidazo[1,2-f]phenanthridin-11-yl-diphenylsilane is sourced from PubChem (CID 140955845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).