2,5,5-triphenyl-4-[2-(5-phenylindolo[3,2-b]carbazol-11-yl)phenyl]-[1]benzosilolo[3,2-d]pyrimidine

C58H38N4Si — CID 140805743

IUPAC2,5,5-triphenyl-4-[2-(5-phenylindolo[3,2-b]carbazol-11-yl)phenyl]-[1]benzosilolo[3,2-d]pyrimidine
SMILESc1ccc(-c2nc(-c3ccccc3-n3c4ccccc4c4cc5c(cc43)c3ccccc3n5-c3ccccc3)c3c(n2)-c2ccccc2[Si]3(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C58H38N4Si/c1-5-21-39(22-6-1)58-59-55(57-56(60-58)46-32-16-20-36-54(46)63(57,41-25-9-3-10-26-41)42-27-11-4-12-28-42)45-31-15-19-35-51(45)62-50-34-18-14-30-44(50)48-37-52-47(38-53(48)62)43-29-13-17-33-49(43)61(52)40-23-7-2-8-24-40/h1-38H
InChIKeyOJUOVCYOFYNQCG-UHFFFAOYSA-N
MW819.06 g/mol
LogP11.36
Rot. Bonds6

About 2,5,5-triphenyl-4-[2-(5-phenylindolo[3,2-b]carbazol-11-yl)phenyl]-[1]benzosilolo[3,2-d]pyrimidine

2,5,5-triphenyl-4-[2-(5-phenylindolo[3,2-b]carbazol-11-yl)phenyl]-[1]benzosilolo[3,2-d]pyrimidine (PubChem CID 140805743) has the molecular formula C58H38N4Si and a molecular weight of 819.06 g/mol. Its IUPAC name is 2,5,5-triphenyl-4-[2-(5-phenylindolo[3,2-b]carbazol-11-yl)phenyl]-[1]benzosilolo[3,2-d]pyrimidine.

Molecular Properties

Compound Name2,5,5-triphenyl-4-[2-(5-phenylindolo[3,2-b]carbazol-11-yl)phenyl]-[1]benzosilolo[3,2-d]pyrimidine
PubChem CID140805743
Molecular FormulaC58H38N4Si
Molecular Weight819.06 g/mol
Exact Mass818.29
IUPAC Name2,5,5-triphenyl-4-[2-(5-phenylindolo[3,2-b]carbazol-11-yl)phenyl]-[1]benzosilolo[3,2-d]pyrimidine
SMILESc1ccc(-c2nc(-c3ccccc3-n3c4ccccc4c4cc5c(cc43)c3ccccc3n5-c3ccccc3)c3c(n2)-c2ccccc2[Si]3(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C58H38N4Si/c1-5-21-39(22-6-1)58-59-55(57-56(60-58)46-32-16-20-36-54(46)63(57,41-25-9-3-10-26-41)42-27-11-4-12-28-42)45-31-15-19-35-51(45)62-50-34-18-14-30-44(50)48-37-52-47(38-53(48)62)43-29-13-17-33-49(43)61(52)40-23-7-2-8-24-40/h1-38H
InChIKeyOJUOVCYOFYNQCG-UHFFFAOYSA-N
XLogP11.36
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms63
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500819.06
LogP ≤ 511.36
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

4,5,5-triphenyl-2-[3-(5-phenylindolo[3,2-b]carbazol-11-yl)phenyl]-[1]benzosilolo[3,2-d]pyrimidine
CID 140804942
11-[2-(2,5,5-triphenyl-[1]benzosilolo[3,2-d]pyrimidin-4-yl)phenyl]-[1]benzofuro[3,2-b]carbazole
CID 140805133
4,5,5-triphenyl-2-[2-(14-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-9-yl)phenyl]-[1]benzosilolo[3,2-d]pyrimidine
CID 140805212
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-[4-(7,7-dimethylindeno[2,1-b]carbazol-5-yl)phenyl]-2,5,5-triphenyl-[1]benzosilolo[3,2-d]pyrimidine
CID 140805808
11-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-5-phenylindolo[3,2-b]carbazole;ethane
CID 144644723
2,9,9-triphenyl-4-(5-phenylindolo[3,2-b]carbazol-11-yl)-[1]benzosilolo[2,3-d]pyrimidine
CID 140804986
11-[4-(4,5,5-triphenyl-[1]benzosilolo[3,2-d]pyrimidin-2-yl)phenyl]-[1]benzofuro[3,2-b]carbazole;11-[4-(4,5,5-triphenyl-[1]benzosilolo[3,2-d]pyrimidin-2-yl)phenyl]-[1]benzothiolo[3,2-b]carbazole;4,5,5-triphenyl-2-[4-(5-phenylindolo[3,2-b]carbazol-11-yl)phenyl]-[1]benzosilolo[3,2-d]pyrimidine
CID 159967788
5,5-dimethyl-4-phenyl-2-[3-(5-phenylindolo[3,2-b]carbazol-11-yl)phenyl]-[1]benzosilolo[3,2-d]pyrimidine
CID 140804843
4-[2-(11,11-dimethylindeno[1,2-b]carbazol-5-yl)phenyl]-2,9,9-triphenyl-[1]benzosilolo[2,3-d]pyrimidine
CID 140805585
11-(2,4,5,5-tetraphenyl-[1]benzosilolo[3,2-d]pyrimidin-7-yl)-[1]benzothiolo[3,2-b]carbazole
CID 164730389
7-[2-(2,9,9-triphenyl-[1]benzosilolo[2,3-d]pyrimidin-4-yl)phenyl]-[1]benzothiolo[2,3-b]carbazole
CID 140805444

Frequently Asked Questions

What is the IUPAC name of 2,5,5-triphenyl-4-[2-(5-phenylindolo[3,2-b]carbazol-11-yl)phenyl]-[1]benzosilolo[3,2-d]pyrimidine?
The IUPAC name of 2,5,5-triphenyl-4-[2-(5-phenylindolo[3,2-b]carbazol-11-yl)phenyl]-[1]benzosilolo[3,2-d]pyrimidine (CID 140805743) is 2,5,5-triphenyl-4-[2-(5-phenylindolo[3,2-b]carbazol-11-yl)phenyl]-[1]benzosilolo[3,2-d]pyrimidine.
What is the SMILES notation for 2,5,5-triphenyl-4-[2-(5-phenylindolo[3,2-b]carbazol-11-yl)phenyl]-[1]benzosilolo[3,2-d]pyrimidine?
The canonical SMILES for 2,5,5-triphenyl-4-[2-(5-phenylindolo[3,2-b]carbazol-11-yl)phenyl]-[1]benzosilolo[3,2-d]pyrimidine is c1ccc(-c2nc(-c3ccccc3-n3c4ccccc4c4cc5c(cc43)c3ccccc3n5-c3ccccc3)c3c(n2)-c2ccccc2[Si]3(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of 2,5,5-triphenyl-4-[2-(5-phenylindolo[3,2-b]carbazol-11-yl)phenyl]-[1]benzosilolo[3,2-d]pyrimidine?
The InChIKey is OJUOVCYOFYNQCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H38N4Si/c1-5-21-39(22-6-1)58-59-55(57-56(60-58)46-32-16-20-36-54(46)63(57,41-25-9-3-10-26-41)42-27-11-4-12-28-42)45-31-15-19-35-51(45)62-50-34-18-14-30-44(50)48-37-52-47(38-53(48)62)43-29-13-17-33-49(43)61(52)40-23-7-2-8-24-40/h1-38H.
What are the key properties of 2,5,5-triphenyl-4-[2-(5-phenylindolo[3,2-b]carbazol-11-yl)phenyl]-[1]benzosilolo[3,2-d]pyrimidine?
2,5,5-triphenyl-4-[2-(5-phenylindolo[3,2-b]carbazol-11-yl)phenyl]-[1]benzosilolo[3,2-d]pyrimidine has a molecular weight of 819.06 g/mol, XLogP of 11.36, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5,5-triphenyl-4-[2-(5-phenylindolo[3,2-b]carbazol-11-yl)phenyl]-[1]benzosilolo[3,2-d]pyrimidine is sourced from PubChem (CID 140805743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).