2,9,9-triphenyl-4-(5-phenylindolo[3,2-b]carbazol-11-yl)-[1]benzosilolo[2,3-d]pyrimidine

C52H34N4Si — CID 140804986

IUPAC2,9,9-triphenyl-4-(5-phenylindolo[3,2-b]carbazol-11-yl)-[1]benzosilolo[2,3-d]pyrimidine
SMILESc1ccc(-c2nc(-n3c4ccccc4c4cc5c(cc43)c3ccccc3n5-c3ccccc3)c3c(n2)[Si](c2ccccc2)(c2ccccc2)c2ccccc2-3)cc1
InChIInChI=1S/C52H34N4Si/c1-5-19-35(20-6-1)50-53-51(49-41-29-15-18-32-48(41)57(52(49)54-50,37-23-9-3-10-24-37)38-25-11-4-12-26-38)56-45-31-17-14-28-40(45)43-33-46-42(34-47(43)56)39-27-13-16-30-44(39)55(46)36-21-7-2-8-22-36/h1-34H
InChIKeyAUZRDZRZAPDLOX-UHFFFAOYSA-N
MW742.96 g/mol
LogP9.70
Rot. Bonds5

About 2,9,9-triphenyl-4-(5-phenylindolo[3,2-b]carbazol-11-yl)-[1]benzosilolo[2,3-d]pyrimidine

2,9,9-triphenyl-4-(5-phenylindolo[3,2-b]carbazol-11-yl)-[1]benzosilolo[2,3-d]pyrimidine (PubChem CID 140804986) has the molecular formula C52H34N4Si and a molecular weight of 742.96 g/mol. Its IUPAC name is 2,9,9-triphenyl-4-(5-phenylindolo[3,2-b]carbazol-11-yl)-[1]benzosilolo[2,3-d]pyrimidine.

Molecular Properties

Compound Name2,9,9-triphenyl-4-(5-phenylindolo[3,2-b]carbazol-11-yl)-[1]benzosilolo[2,3-d]pyrimidine
PubChem CID140804986
Molecular FormulaC52H34N4Si
Molecular Weight742.96 g/mol
Exact Mass742.26
IUPAC Name2,9,9-triphenyl-4-(5-phenylindolo[3,2-b]carbazol-11-yl)-[1]benzosilolo[2,3-d]pyrimidine
SMILESc1ccc(-c2nc(-n3c4ccccc4c4cc5c(cc43)c3ccccc3n5-c3ccccc3)c3c(n2)[Si](c2ccccc2)(c2ccccc2)c2ccccc2-3)cc1
InChIInChI=1S/C52H34N4Si/c1-5-19-35(20-6-1)50-53-51(49-41-29-15-18-32-48(41)57(52(49)54-50,37-23-9-3-10-24-37)38-25-11-4-12-26-38)56-45-31-17-14-28-40(45)43-33-46-42(34-47(43)56)39-27-13-16-30-44(39)55(46)36-21-7-2-8-22-36/h1-34H
InChIKeyAUZRDZRZAPDLOX-UHFFFAOYSA-N
XLogP9.70
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500742.96
LogP ≤ 59.70
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

11-(2,9,9-triphenyl-[1]benzosilolo[2,3-d]pyrimidin-4-yl)-[1]benzofuro[3,2-b]carbazole
CID 140805712
2,5,5-triphenyl-4-[2-(5-phenylindolo[3,2-b]carbazol-11-yl)phenyl]-[1]benzosilolo[3,2-d]pyrimidine
CID 140805743
9,9-dimethyl-4-phenyl-2-[4-(5-phenylindolo[3,2-b]carbazol-11-yl)phenyl]-[1]benzosilolo[2,3-d]pyrimidine
CID 140805344
4,5,5-triphenyl-2-[3-(5-phenylindolo[3,2-b]carbazol-11-yl)phenyl]-[1]benzosilolo[3,2-d]pyrimidine
CID 140804942
11-[3-(5-phenylbenzo[b][1]benzosilol-5-yl)phenyl]-5-(4-phenylphenyl)indolo[3,2-b]carbazole
CID 140873106
7-(9,9-dimethyl-2-phenyl-[1]benzosilolo[2,3-d]pyrimidin-4-yl)-[1]benzofuro[2,3-b]carbazole
CID 140805126
8,8,24-triphenyl-24-aza-8-silahexacyclo[13.11.0.02,7.09,14.017,25.018,23]hexacosa-1(15),2,4,6,9,11,13,16,18,20,22,25-dodecaene
CID 177069958
4-[2-(11,11-dimethylindeno[1,2-b]carbazol-5-yl)phenyl]-2,9,9-triphenyl-[1]benzosilolo[2,3-d]pyrimidine
CID 140805585
7-[2-(2,9,9-triphenyl-[1]benzosilolo[2,3-d]pyrimidin-4-yl)phenyl]-[1]benzothiolo[2,3-b]carbazole
CID 140805444
11-[2-(4,9,9-triphenyl-[1]benzosilolo[2,3-d]pyrimidin-2-yl)phenyl]-[1]benzofuro[3,2-b]carbazole
CID 140805068
22-[4-[4,6-bis[4-(5,15,29,39-tetraphenyl-5,15,22,29,39-pentazaundecacyclo[21.18.0.02,21.04,19.06,18.08,16.09,14.025,40.026,38.028,36.030,35]hentetraconta-1(41),2,4(19),6(18),7,9,11,13,16,20,23,25(40),26(38),27,30,32,34,36-octadecaen-22-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]-5,15,29,39-tetraphenyl-5,15,22,29,39-pentazaundecacyclo[21.18.0.02,21.04,19.06,18.08,16.09,14.025,40.026,38.028,36.030,35]hentetraconta-1(41),2,4(19),6(18),7,9,11,13,16,20,23,25(40),26(38),27,30,32,34,36-octadecaene
CID 88949847
2-(4-carbazol-9-ylphenyl)-9,9-dimethyl-4-phenyl-[1]benzosilolo[2,3-d]pyrimidine
CID 154010624

Frequently Asked Questions

What is the IUPAC name of 2,9,9-triphenyl-4-(5-phenylindolo[3,2-b]carbazol-11-yl)-[1]benzosilolo[2,3-d]pyrimidine?
The IUPAC name of 2,9,9-triphenyl-4-(5-phenylindolo[3,2-b]carbazol-11-yl)-[1]benzosilolo[2,3-d]pyrimidine (CID 140804986) is 2,9,9-triphenyl-4-(5-phenylindolo[3,2-b]carbazol-11-yl)-[1]benzosilolo[2,3-d]pyrimidine.
What is the SMILES notation for 2,9,9-triphenyl-4-(5-phenylindolo[3,2-b]carbazol-11-yl)-[1]benzosilolo[2,3-d]pyrimidine?
The canonical SMILES for 2,9,9-triphenyl-4-(5-phenylindolo[3,2-b]carbazol-11-yl)-[1]benzosilolo[2,3-d]pyrimidine is c1ccc(-c2nc(-n3c4ccccc4c4cc5c(cc43)c3ccccc3n5-c3ccccc3)c3c(n2)[Si](c2ccccc2)(c2ccccc2)c2ccccc2-3)cc1.
What is the InChIKey of 2,9,9-triphenyl-4-(5-phenylindolo[3,2-b]carbazol-11-yl)-[1]benzosilolo[2,3-d]pyrimidine?
The InChIKey is AUZRDZRZAPDLOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H34N4Si/c1-5-19-35(20-6-1)50-53-51(49-41-29-15-18-32-48(41)57(52(49)54-50,37-23-9-3-10-24-37)38-25-11-4-12-26-38)56-45-31-17-14-28-40(45)43-33-46-42(34-47(43)56)39-27-13-16-30-44(39)55(46)36-21-7-2-8-22-36/h1-34H.
What are the key properties of 2,9,9-triphenyl-4-(5-phenylindolo[3,2-b]carbazol-11-yl)-[1]benzosilolo[2,3-d]pyrimidine?
2,9,9-triphenyl-4-(5-phenylindolo[3,2-b]carbazol-11-yl)-[1]benzosilolo[2,3-d]pyrimidine has a molecular weight of 742.96 g/mol, XLogP of 9.70, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,9,9-triphenyl-4-(5-phenylindolo[3,2-b]carbazol-11-yl)-[1]benzosilolo[2,3-d]pyrimidine is sourced from PubChem (CID 140804986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).