(3-carbazol-9-ylphenyl)-dibenzothiophen-4-yl-diphenylsilane;methane;9-[3-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]phenanthrene

C84H63NSSi — CID 160677747

About (3-carbazol-9-ylphenyl)-dibenzothiophen-4-yl-diphenylsilane;methane;9-[3-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]phenanthrene

(3-carbazol-9-ylphenyl)-dibenzothiophen-4-yl-diphenylsilane;methane;9-[3-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]phenanthrene (PubChem CID 160677747) has the molecular formula C84H63NSSi and a molecular weight of 1146.59 g/mol. Its IUPAC name is (3-carbazol-9-ylphenyl)-dibenzothiophen-4-yl-diphenylsilane;methane;9-[3-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]phenanthrene.

Molecular Properties

• Compound Name: (3-carbazol-9-ylphenyl)-dibenzothiophen-4-yl-diphenylsilane;methane;9-[3-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]phenanthrene
• PubChem CID: 160677747
• Molecular Formula: C84H63NSSi
• Molecular Weight: 1146.59 g/mol
• Exact Mass: 1145.45
• IUPAC Name: (3-carbazol-9-ylphenyl)-dibenzothiophen-4-yl-diphenylsilane;methane;9-[3-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]phenanthrene
• SMILES: C.C.c1cc(-c2ccc3cc(-c4ccc5ccccc5c4)ccc3c2)cc(-c2cc3ccccc3c3ccccc23)c1.c1ccc([Si](c2ccccc2)(c2cccc(-n3c4ccccc4c4ccccc43)c2)c2cccc3c2sc2ccccc23)cc1
• InChI: InChI=1S/C42H29NSSi.C40H26.2CH4/c1-3-16-31(17-4-1)45(32-18-5-2-6-19-32,41-28-14-24-37-36-23-9-12-27-40(36)44-42(37)41)33-20-13-15-30(29-33)43-38-25-10-7-21-34(38)35-22-8-11-26-39(35)43;1-2-9-28-22-31(17-16-27(28)8-1)33-21-20-32-23-30(18-19-34(32)24-33)29-11-7-12-35(25-29)40-26-36-10-3-4-13-37(36)38-14-5-6-15-39(38)40;;/h1-29H;1-26H;2*1H4
• InChIKey: RNSYLPGSPRANEC-UHFFFAOYSA-N
• XLogP: 21.10
• TPSA: 4.93 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 8
• Heavy Atoms: 87
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1146.59
LogP ≤ 5	21.10
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

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 (3-carbazol-9-ylphenyl)-dibenzothiophen-4-yl-diphenylsilane;methane;9-[3-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]phenanthrene?

The IUPAC name of (3-carbazol-9-ylphenyl)-dibenzothiophen-4-yl-diphenylsilane;methane;9-[3-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]phenanthrene (CID 160677747) is (3-carbazol-9-ylphenyl)-dibenzothiophen-4-yl-diphenylsilane;methane;9-[3-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]phenanthrene.

What is the SMILES notation for (3-carbazol-9-ylphenyl)-dibenzothiophen-4-yl-diphenylsilane;methane;9-[3-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]phenanthrene?

The canonical SMILES for (3-carbazol-9-ylphenyl)-dibenzothiophen-4-yl-diphenylsilane;methane;9-[3-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]phenanthrene is C.C.c1cc(-c2ccc3cc(-c4ccc5ccccc5c4)ccc3c2)cc(-c2cc3ccccc3c3ccccc23)c1.c1ccc([Si](c2ccccc2)(c2cccc(-n3c4ccccc4c4ccccc43)c2)c2cccc3c2sc2ccccc23)cc1.

What is the InChIKey of (3-carbazol-9-ylphenyl)-dibenzothiophen-4-yl-diphenylsilane;methane;9-[3-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]phenanthrene?

The InChIKey is RNSYLPGSPRANEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H29NSSi.C40H26.2CH4/c1-3-16-31(17-4-1)45(32-18-5-2-6-19-32,41-28-14-24-37-36-23-9-12-27-40(36)44-42(37)41)33-20-13-15-30(29-33)43-38-25-10-7-21-34(38)35-22-8-11-26-39(35)43;1-2-9-28-22-31(17-16-27(28)8-1)33-21-20-32-23-30(18-19-34(32)24-33)29-11-7-12-35(25-29)40-26-36-10-3-4-13-37(36)38-14-5-6-15-39(38)40;;/h1-29H;1-26H;2*1H4.

What are the key properties of (3-carbazol-9-ylphenyl)-dibenzothiophen-4-yl-diphenylsilane;methane;9-[3-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]phenanthrene?

(3-carbazol-9-ylphenyl)-dibenzothiophen-4-yl-diphenylsilane;methane;9-[3-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]phenanthrene has a molecular weight of 1146.59 g/mol, XLogP of 21.10, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for (3-carbazol-9-ylphenyl)-dibenzothiophen-4-yl-diphenylsilane;methane;9-[3-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]phenanthrene is sourced from PubChem (CID 160677747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).