2-(3-benzo[c]carbazol-7-ylphenyl)-5,5-dimethyl-4-phenyl-[1]benzosilolo[3,2-d]pyrimidine

C40H29N3Si — CID 160505311

IUPAC2-(3-benzo[c]carbazol-7-ylphenyl)-5,5-dimethyl-4-phenyl-[1]benzosilolo[3,2-d]pyrimidine
SMILESC[Si]1(C)c2ccccc2-c2nc(-c3cccc(-n4c5ccccc5c5c6ccccc6ccc54)c3)nc(-c3ccccc3)c21
InChIInChI=1S/C40H29N3Si/c1-44(2)35-22-11-9-20-32(35)38-39(44)37(27-14-4-3-5-15-27)41-40(42-38)28-16-12-17-29(25-28)43-33-21-10-8-19-31(33)36-30-18-7-6-13-26(30)23-24-34(36)43/h3-25H,1-2H3
InChIKeyHYAHJHFCCNKUIE-UHFFFAOYSA-N
MW579.78 g/mol
LogP8.86
Rot. Bonds3

About 2-(3-benzo[c]carbazol-7-ylphenyl)-5,5-dimethyl-4-phenyl-[1]benzosilolo[3,2-d]pyrimidine

2-(3-benzo[c]carbazol-7-ylphenyl)-5,5-dimethyl-4-phenyl-[1]benzosilolo[3,2-d]pyrimidine (PubChem CID 160505311) has the molecular formula C40H29N3Si and a molecular weight of 579.78 g/mol. Its IUPAC name is 2-(3-benzo[c]carbazol-7-ylphenyl)-5,5-dimethyl-4-phenyl-[1]benzosilolo[3,2-d]pyrimidine.

Molecular Properties

Compound Name2-(3-benzo[c]carbazol-7-ylphenyl)-5,5-dimethyl-4-phenyl-[1]benzosilolo[3,2-d]pyrimidine
PubChem CID160505311
Molecular FormulaC40H29N3Si
Molecular Weight579.78 g/mol
Exact Mass579.21
IUPAC Name2-(3-benzo[c]carbazol-7-ylphenyl)-5,5-dimethyl-4-phenyl-[1]benzosilolo[3,2-d]pyrimidine
SMILESC[Si]1(C)c2ccccc2-c2nc(-c3cccc(-n4c5ccccc5c5c6ccccc6ccc54)c3)nc(-c3ccccc3)c21
InChIInChI=1S/C40H29N3Si/c1-44(2)35-22-11-9-20-32(35)38-39(44)37(27-14-4-3-5-15-27)41-40(42-38)28-16-12-17-29(25-28)43-33-21-10-8-19-31(33)36-30-18-7-6-13-26(30)23-24-34(36)43/h3-25H,1-2H3
InChIKeyHYAHJHFCCNKUIE-UHFFFAOYSA-N
XLogP8.86
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500579.78
LogP ≤ 58.86
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

5,5-dimethyl-2-[3-(7-phenylbenzo[c]carbazol-10-yl)phenyl]-4-(3-phenylphenyl)-[1]benzosilolo[3,2-d]pyrimidine
CID 159917413
5,5-dimethyl-4-phenyl-2-[3-(5-phenylindolo[3,2-b]carbazol-11-yl)phenyl]-[1]benzosilolo[3,2-d]pyrimidine
CID 140804843
5,5-dimethyl-2-[3-(7-methylindolo[2,3-b]carbazol-5-yl)phenyl]-4-phenyl-[1]benzosilolo[3,2-d]pyrimidine
CID 140805854
14-[3-(5,5-dimethyl-2-phenyl-[1]benzosilolo[3,2-d]pyrimidin-4-yl)phenyl]-9-thia-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
CID 140805819
5,5-dimethyl-2-(9-phenylcarbazol-3-yl)-4-(3-phenylphenyl)-[1]benzosilolo[3,2-d]pyrimidine;5,5-dimethyl-2-(9-phenylcarbazol-3-yl)-4-(4-phenylphenyl)-[1]benzosilolo[3,2-d]pyrimidine;5,5-dimethyl-4-phenyl-2-[9-(4-phenylphenyl)carbazol-3-yl]-[1]benzosilolo[3,2-d]pyrimidine
CID 159465866
5,5-dimethyl-4-phenyl-2-[4-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]-[1]benzosilolo[3,2-d]pyrimidine
CID 140805334
4-(4-carbazol-9-ylphenyl)-5,5-dimethyl-2-(9-phenylcarbazol-2-yl)-[1]benzosilolo[3,2-d]pyrimidine
CID 154010418
9,9-dimethyl-4-phenyl-2-[3-(7-phenylbenzo[c]carbazol-10-yl)phenyl]-[1]benzosilolo[2,3-d]pyrimidine
CID 154010674
5,5-dimethyl-2,4-diphenyl-7-(12-phenylindolo[3,2-c]carbazol-5-yl)-[1]benzosilolo[3,2-d]pyrimidine
CID 164730405
2-[3-(10-dibenzofuran-2-ylbenzo[c]carbazol-7-yl)phenyl]-9,9-dimethyl-4-phenyl-[1]benzosilolo[2,3-d]pyrimidine
CID 154010689
5,5-dimethyl-4-phenyl-2-[2-(5-phenylindolo[3,2-b]carbazol-11-yl)phenyl]-[1]benzosilolo[3,2-d]pyrimidine
CID 140804939
4,5,5-triphenyl-2-[3-(5-phenylindolo[3,2-b]carbazol-11-yl)phenyl]-[1]benzosilolo[3,2-d]pyrimidine
CID 140804942

Frequently Asked Questions

What is the IUPAC name of 2-(3-benzo[c]carbazol-7-ylphenyl)-5,5-dimethyl-4-phenyl-[1]benzosilolo[3,2-d]pyrimidine?
The IUPAC name of 2-(3-benzo[c]carbazol-7-ylphenyl)-5,5-dimethyl-4-phenyl-[1]benzosilolo[3,2-d]pyrimidine (CID 160505311) is 2-(3-benzo[c]carbazol-7-ylphenyl)-5,5-dimethyl-4-phenyl-[1]benzosilolo[3,2-d]pyrimidine.
What is the SMILES notation for 2-(3-benzo[c]carbazol-7-ylphenyl)-5,5-dimethyl-4-phenyl-[1]benzosilolo[3,2-d]pyrimidine?
The canonical SMILES for 2-(3-benzo[c]carbazol-7-ylphenyl)-5,5-dimethyl-4-phenyl-[1]benzosilolo[3,2-d]pyrimidine is C[Si]1(C)c2ccccc2-c2nc(-c3cccc(-n4c5ccccc5c5c6ccccc6ccc54)c3)nc(-c3ccccc3)c21.
What is the InChIKey of 2-(3-benzo[c]carbazol-7-ylphenyl)-5,5-dimethyl-4-phenyl-[1]benzosilolo[3,2-d]pyrimidine?
The InChIKey is HYAHJHFCCNKUIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H29N3Si/c1-44(2)35-22-11-9-20-32(35)38-39(44)37(27-14-4-3-5-15-27)41-40(42-38)28-16-12-17-29(25-28)43-33-21-10-8-19-31(33)36-30-18-7-6-13-26(30)23-24-34(36)43/h3-25H,1-2H3.
What are the key properties of 2-(3-benzo[c]carbazol-7-ylphenyl)-5,5-dimethyl-4-phenyl-[1]benzosilolo[3,2-d]pyrimidine?
2-(3-benzo[c]carbazol-7-ylphenyl)-5,5-dimethyl-4-phenyl-[1]benzosilolo[3,2-d]pyrimidine has a molecular weight of 579.78 g/mol, XLogP of 8.86, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-benzo[c]carbazol-7-ylphenyl)-5,5-dimethyl-4-phenyl-[1]benzosilolo[3,2-d]pyrimidine is sourced from PubChem (CID 160505311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).