2-(4-carbazol-9-ylphenyl)-9,9-dimethyl-4-phenyl-[1]benzosilolo[2,3-d]pyrimidine

C36H27N3Si — CID 154010624

IUPAC2-(4-carbazol-9-ylphenyl)-9,9-dimethyl-4-phenyl-[1]benzosilolo[2,3-d]pyrimidine
SMILESC[Si]1(C)c2ccccc2-c2c(-c3ccccc3)nc(-c3ccc(-n4c5ccccc5c5ccccc54)cc3)nc21
InChIInChI=1S/C36H27N3Si/c1-40(2)32-19-11-8-16-29(32)33-34(24-12-4-3-5-13-24)37-35(38-36(33)40)25-20-22-26(23-21-25)39-30-17-9-6-14-27(30)28-15-7-10-18-31(28)39/h3-23H,1-2H3
InChIKeyDARVADJOPUVLLF-UHFFFAOYSA-N
MW529.72 g/mol
LogP7.71
Rot. Bonds3

About 2-(4-carbazol-9-ylphenyl)-9,9-dimethyl-4-phenyl-[1]benzosilolo[2,3-d]pyrimidine

2-(4-carbazol-9-ylphenyl)-9,9-dimethyl-4-phenyl-[1]benzosilolo[2,3-d]pyrimidine (PubChem CID 154010624) has the molecular formula C36H27N3Si and a molecular weight of 529.72 g/mol. Its IUPAC name is 2-(4-carbazol-9-ylphenyl)-9,9-dimethyl-4-phenyl-[1]benzosilolo[2,3-d]pyrimidine.

Molecular Properties

Compound Name2-(4-carbazol-9-ylphenyl)-9,9-dimethyl-4-phenyl-[1]benzosilolo[2,3-d]pyrimidine
PubChem CID154010624
Molecular FormulaC36H27N3Si
Molecular Weight529.72 g/mol
Exact Mass529.20
IUPAC Name2-(4-carbazol-9-ylphenyl)-9,9-dimethyl-4-phenyl-[1]benzosilolo[2,3-d]pyrimidine
SMILESC[Si]1(C)c2ccccc2-c2c(-c3ccccc3)nc(-c3ccc(-n4c5ccccc5c5ccccc54)cc3)nc21
InChIInChI=1S/C36H27N3Si/c1-40(2)32-19-11-8-16-29(32)33-34(24-12-4-3-5-13-24)37-35(38-36(33)40)25-20-22-26(23-21-25)39-30-17-9-6-14-27(30)28-15-7-10-18-31(28)39/h3-23H,1-2H3
InChIKeyDARVADJOPUVLLF-UHFFFAOYSA-N
XLogP7.71
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500529.72
LogP ≤ 57.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

9,9-dimethyl-4-phenyl-2-[4-(5-phenylindolo[3,2-b]carbazol-11-yl)phenyl]-[1]benzosilolo[2,3-d]pyrimidine
CID 140805344
11-[4-(9,9-dimethyl-2-phenyl-[1]benzosilolo[2,3-d]pyrimidin-4-yl)phenyl]-[1]benzofuro[3,2-b]carbazole
CID 140805393
4-(3-carbazol-9-ylphenyl)-9,9-dimethyl-2-(9-phenylcarbazol-2-yl)-[1]benzosilolo[2,3-d]pyrimidine
CID 123630446
9,9-dimethyl-2,4-diphenyl-[1]benzosilolo[2,3-d]pyrimidine
CID 140763756
2-[3-(6-carbazol-9-yl-9-phenylcarbazol-4-yl)phenyl]-9,9-dimethyl-4-phenyl-[1]benzosilolo[2,3-d]pyrimidine;9,9-dimethyl-2-[3-[3-(9-phenylcarbazol-4-yl)phenyl]phenyl]-4-(3-phenylphenyl)-[1]benzosilolo[2,3-d]pyrimidine;9,9-dimethyl-4-phenyl-2-[3-[3-[6-phenyl-9-(3-phenylphenyl)carbazol-4-yl]phenyl]phenyl]-[1]benzosilolo[2,3-d]pyrimidine;2-[3-[3-(6,9-diphenylcarbazol-4-yl)phenyl]phenyl]-9,9-dimethyl-4-(3-phenylphenyl)-[1]benzosilolo[2,3-d]pyrimidine
CID 160506693
2,4-bis(3-carbazol-9-ylphenyl)-9,9-dimethyl-[1]benzosilolo[2,3-d]pyrimidine;2-carbazol-9-yl-9,9-dimethyl-4-(9-phenylcarbazol-2-yl)-[1]benzosilolo[2,3-d]pyrimidine;2-carbazol-9-yl-9,9-dimethyl-4-(9-phenylcarbazol-3-yl)-[1]benzosilolo[2,3-d]pyrimidine
CID 159862286
9,9-dimethyl-4-phenyl-2-[3-(7-phenylbenzo[c]carbazol-10-yl)phenyl]-[1]benzosilolo[2,3-d]pyrimidine
CID 154010674
9-[4-[4-(4,5,6-triphenylpyrimidin-2-yl)phenyl]phenyl]carbazole
CID 155140501
9,9-dimethyl-2-[3-(3-phenylphenyl)phenyl]-4-[4-(3-phenylphenyl)phenyl]-[1]benzosilolo[2,3-d]pyrimidine
CID 140763843
9,9-dimethyl-4-phenyl-2-[3-[3-[3-(1-phenylbenzimidazol-2-yl)phenyl]phenyl]phenyl]-[1]benzosilolo[2,3-d]pyrimidine
CID 140747356
4-(4-carbazol-9-ylphenyl)-5,5-dimethyl-2-(9-phenylcarbazol-2-yl)-[1]benzosilolo[3,2-d]pyrimidine
CID 154010418
5-[3-(9,9-dimethyl-2-phenyl-[1]benzosilolo[2,3-d]pyrimidin-4-yl)phenyl]-[1]benzothiolo[3,2-c]carbazole
CID 140805562

Frequently Asked Questions

What is the IUPAC name of 2-(4-carbazol-9-ylphenyl)-9,9-dimethyl-4-phenyl-[1]benzosilolo[2,3-d]pyrimidine?
The IUPAC name of 2-(4-carbazol-9-ylphenyl)-9,9-dimethyl-4-phenyl-[1]benzosilolo[2,3-d]pyrimidine (CID 154010624) is 2-(4-carbazol-9-ylphenyl)-9,9-dimethyl-4-phenyl-[1]benzosilolo[2,3-d]pyrimidine.
What is the SMILES notation for 2-(4-carbazol-9-ylphenyl)-9,9-dimethyl-4-phenyl-[1]benzosilolo[2,3-d]pyrimidine?
The canonical SMILES for 2-(4-carbazol-9-ylphenyl)-9,9-dimethyl-4-phenyl-[1]benzosilolo[2,3-d]pyrimidine is C[Si]1(C)c2ccccc2-c2c(-c3ccccc3)nc(-c3ccc(-n4c5ccccc5c5ccccc54)cc3)nc21.
What is the InChIKey of 2-(4-carbazol-9-ylphenyl)-9,9-dimethyl-4-phenyl-[1]benzosilolo[2,3-d]pyrimidine?
The InChIKey is DARVADJOPUVLLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H27N3Si/c1-40(2)32-19-11-8-16-29(32)33-34(24-12-4-3-5-13-24)37-35(38-36(33)40)25-20-22-26(23-21-25)39-30-17-9-6-14-27(30)28-15-7-10-18-31(28)39/h3-23H,1-2H3.
What are the key properties of 2-(4-carbazol-9-ylphenyl)-9,9-dimethyl-4-phenyl-[1]benzosilolo[2,3-d]pyrimidine?
2-(4-carbazol-9-ylphenyl)-9,9-dimethyl-4-phenyl-[1]benzosilolo[2,3-d]pyrimidine has a molecular weight of 529.72 g/mol, XLogP of 7.71, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-carbazol-9-ylphenyl)-9,9-dimethyl-4-phenyl-[1]benzosilolo[2,3-d]pyrimidine is sourced from PubChem (CID 154010624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).