7-[2-(5,5-dimethyl-4-phenyl-[1]benzosilolo[3,2-d]pyrimidin-2-yl)phenyl]-[1]benzofuro[2,3-b]carbazole

C42H29N3OSi — CID 140804920

IUPAC7-[2-(5,5-dimethyl-4-phenyl-[1]benzosilolo[3,2-d]pyrimidin-2-yl)phenyl]-[1]benzofuro[2,3-b]carbazole
SMILESC[Si]1(C)c2ccccc2-c2nc(-c3ccccc3-n3c4ccccc4c4cc5c(cc43)oc3ccccc35)nc(-c3ccccc3)c21
InChIInChI=1S/C42H29N3OSi/c1-47(2)38-23-13-9-19-30(38)40-41(47)39(26-14-4-3-5-15-26)43-42(44-40)29-18-7-11-21-34(29)45-33-20-10-6-16-27(33)31-24-32-28-17-8-12-22-36(28)46-37(32)25-35(31)45/h3-25H,1-2H3
InChIKeyHSDKXOREROGRTA-UHFFFAOYSA-N
MW619.80 g/mol
LogP9.61
Rot. Bonds3

About 7-[2-(5,5-dimethyl-4-phenyl-[1]benzosilolo[3,2-d]pyrimidin-2-yl)phenyl]-[1]benzofuro[2,3-b]carbazole

7-[2-(5,5-dimethyl-4-phenyl-[1]benzosilolo[3,2-d]pyrimidin-2-yl)phenyl]-[1]benzofuro[2,3-b]carbazole (PubChem CID 140804920) has the molecular formula C42H29N3OSi and a molecular weight of 619.80 g/mol. Its IUPAC name is 7-[2-(5,5-dimethyl-4-phenyl-[1]benzosilolo[3,2-d]pyrimidin-2-yl)phenyl]-[1]benzofuro[2,3-b]carbazole.

Molecular Properties

Compound Name7-[2-(5,5-dimethyl-4-phenyl-[1]benzosilolo[3,2-d]pyrimidin-2-yl)phenyl]-[1]benzofuro[2,3-b]carbazole
PubChem CID140804920
Molecular FormulaC42H29N3OSi
Molecular Weight619.80 g/mol
Exact Mass619.21
IUPAC Name7-[2-(5,5-dimethyl-4-phenyl-[1]benzosilolo[3,2-d]pyrimidin-2-yl)phenyl]-[1]benzofuro[2,3-b]carbazole
SMILESC[Si]1(C)c2ccccc2-c2nc(-c3ccccc3-n3c4ccccc4c4cc5c(cc43)oc3ccccc35)nc(-c3ccccc3)c21
InChIInChI=1S/C42H29N3OSi/c1-47(2)38-23-13-9-19-30(38)40-41(47)39(26-14-4-3-5-15-26)43-42(44-40)29-18-7-11-21-34(29)45-33-20-10-6-16-27(33)31-24-32-28-17-8-12-22-36(28)46-37(32)25-35(31)45/h3-25H,1-2H3
InChIKeyHSDKXOREROGRTA-UHFFFAOYSA-N
XLogP9.61
TPSA43.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500619.80
LogP ≤ 59.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5,5-dimethyl-4-phenyl-2-[2-(5-phenylindolo[3,2-b]carbazol-11-yl)phenyl]-[1]benzosilolo[3,2-d]pyrimidine
CID 140804939
11-[2-(2,5,5-triphenyl-[1]benzosilolo[3,2-d]pyrimidin-4-yl)phenyl]-[1]benzofuro[3,2-b]carbazole
CID 140805133
7-[2-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-[1]benzofuro[2,3-b]carbazole
CID 164955673
7-[5-(4-phenylquinazolin-2-yl)naphthalen-1-yl]-[1]benzofuro[2,3-b]carbazole
CID 154947939
11-[2-(4,9,9-triphenyl-[1]benzosilolo[2,3-d]pyrimidin-2-yl)phenyl]-[1]benzofuro[3,2-b]carbazole
CID 140805068
5,5-dimethyl-2-[3-(7-methylindolo[2,3-b]carbazol-5-yl)phenyl]-4-phenyl-[1]benzosilolo[3,2-d]pyrimidine
CID 140805854
5,5-dimethyl-4-phenyl-2-[3-(5-phenylindolo[3,2-b]carbazol-11-yl)phenyl]-[1]benzosilolo[3,2-d]pyrimidine
CID 140804843
7-[2-(2-phenyl-[1]benzofuro[2,3-d]pyrimidin-4-yl)phenyl]-[1]benzofuro[2,3-b]carbazole
CID 130334153
12-[4-(5,5-dimethyl-4-phenyl-[1]benzosilolo[3,2-d]pyrimidin-2-yl)phenyl]-[1]benzofuro[3,2-a]carbazole
CID 140805693
4-(4-carbazol-9-ylphenyl)-5,5-dimethyl-2-(9-phenylcarbazol-2-yl)-[1]benzosilolo[3,2-d]pyrimidine
CID 154010418
7-(9,9-dimethyl-2-phenyl-[1]benzosilolo[2,3-d]pyrimidin-4-yl)-[1]benzofuro[2,3-b]carbazole
CID 140805126
12-[2-(9,9-dimethyl-4-phenyl-[1]benzosilolo[2,3-d]pyrimidin-2-yl)phenyl]-[1]benzofuro[3,2-a]carbazole
CID 140805651

Frequently Asked Questions

What is the IUPAC name of 7-[2-(5,5-dimethyl-4-phenyl-[1]benzosilolo[3,2-d]pyrimidin-2-yl)phenyl]-[1]benzofuro[2,3-b]carbazole?
The IUPAC name of 7-[2-(5,5-dimethyl-4-phenyl-[1]benzosilolo[3,2-d]pyrimidin-2-yl)phenyl]-[1]benzofuro[2,3-b]carbazole (CID 140804920) is 7-[2-(5,5-dimethyl-4-phenyl-[1]benzosilolo[3,2-d]pyrimidin-2-yl)phenyl]-[1]benzofuro[2,3-b]carbazole.
What is the SMILES notation for 7-[2-(5,5-dimethyl-4-phenyl-[1]benzosilolo[3,2-d]pyrimidin-2-yl)phenyl]-[1]benzofuro[2,3-b]carbazole?
The canonical SMILES for 7-[2-(5,5-dimethyl-4-phenyl-[1]benzosilolo[3,2-d]pyrimidin-2-yl)phenyl]-[1]benzofuro[2,3-b]carbazole is C[Si]1(C)c2ccccc2-c2nc(-c3ccccc3-n3c4ccccc4c4cc5c(cc43)oc3ccccc35)nc(-c3ccccc3)c21.
What is the InChIKey of 7-[2-(5,5-dimethyl-4-phenyl-[1]benzosilolo[3,2-d]pyrimidin-2-yl)phenyl]-[1]benzofuro[2,3-b]carbazole?
The InChIKey is HSDKXOREROGRTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H29N3OSi/c1-47(2)38-23-13-9-19-30(38)40-41(47)39(26-14-4-3-5-15-26)43-42(44-40)29-18-7-11-21-34(29)45-33-20-10-6-16-27(33)31-24-32-28-17-8-12-22-36(28)46-37(32)25-35(31)45/h3-25H,1-2H3.
What are the key properties of 7-[2-(5,5-dimethyl-4-phenyl-[1]benzosilolo[3,2-d]pyrimidin-2-yl)phenyl]-[1]benzofuro[2,3-b]carbazole?
7-[2-(5,5-dimethyl-4-phenyl-[1]benzosilolo[3,2-d]pyrimidin-2-yl)phenyl]-[1]benzofuro[2,3-b]carbazole has a molecular weight of 619.80 g/mol, XLogP of 9.61, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[2-(5,5-dimethyl-4-phenyl-[1]benzosilolo[3,2-d]pyrimidin-2-yl)phenyl]-[1]benzofuro[2,3-b]carbazole is sourced from PubChem (CID 140804920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).