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

C58H38N4Si — CID 140805212

IUPAC4,5,5-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
SMILESc1ccc(-c2nc(-c3ccccc3-n3c4ccccc4c4c5c6ccccc6n(-c6ccccc6)c5ccc43)nc3c2[Si](c2ccccc2)(c2ccccc2)c2ccccc2-3)cc1
InChIInChI=1S/C58H38N4Si/c1-5-21-39(22-6-1)55-57-56(46-32-16-20-36-52(46)63(57,41-25-9-3-10-26-41)42-27-11-4-12-28-42)60-58(59-55)45-31-15-19-35-49(45)62-48-34-18-14-30-44(48)54-51(62)38-37-50-53(54)43-29-13-17-33-47(43)61(50)40-23-7-2-8-24-40/h1-38H
InChIKeyBPDXVSINTSLWFC-UHFFFAOYSA-N
MW819.06 g/mol
LogP11.36
Rot. Bonds6

About 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

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 (PubChem CID 140805212) has the molecular formula C58H38N4Si and a molecular weight of 819.06 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name4,5,5-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
PubChem CID140805212
Molecular FormulaC58H38N4Si
Molecular Weight819.06 g/mol
Exact Mass818.29
IUPAC Name4,5,5-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
SMILESc1ccc(-c2nc(-c3ccccc3-n3c4ccccc4c4c5c6ccccc6n(-c6ccccc6)c5ccc43)nc3c2[Si](c2ccccc2)(c2ccccc2)c2ccccc2-3)cc1
InChIInChI=1S/C58H38N4Si/c1-5-21-39(22-6-1)55-57-56(46-32-16-20-36-52(46)63(57,41-25-9-3-10-26-41)42-27-11-4-12-28-42)60-58(59-55)45-31-15-19-35-49(45)62-48-34-18-14-30-44(48)54-51(62)38-37-50-53(54)43-29-13-17-33-47(43)61(50)40-23-7-2-8-24-40/h1-38H
InChIKeyBPDXVSINTSLWFC-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'}

Analyze 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 with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,5,5-triphenyl-4-[2-(5-phenylindolo[3,2-b]carbazol-11-yl)phenyl]-[1]benzosilolo[3,2-d]pyrimidine
CID 140805743
14-[4-(2,5,5-triphenyl-[1]benzosilolo[3,2-d]pyrimidin-4-yl)phenyl]-9-oxa-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 140805246
4,5,5-triphenyl-2-[3-(5-phenylindolo[3,2-b]carbazol-11-yl)phenyl]-[1]benzosilolo[3,2-d]pyrimidine
CID 140804942
4,9,9-triphenyl-2-[2-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]-[1]benzosilolo[2,3-d]pyrimidine
CID 140805351
5-[4-(4,5,5-triphenyl-[1]benzosilolo[3,2-d]pyrimidin-2-yl)phenyl]-[1]benzofuro[3,2-c]carbazole
CID 140805170
5-[4-(4,5,5-triphenyl-[1]benzosilolo[3,2-d]pyrimidin-2-yl)phenyl]-[1]benzothiolo[3,2-c]carbazole
CID 140805821
5-[4-(2,5,5-triphenyl-[1]benzosilolo[3,2-d]pyrimidin-4-yl)phenyl]-[1]benzofuro[3,2-c]carbazole
CID 140805004
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-phenyl-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]benzofuro[3,2-d]pyrimidine
CID 130333967
2-[3-(14,14-dimethyl-9-azapentacyclo[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]-4,9,9-triphenyl-[1]benzosilolo[2,3-d]pyrimidine;14-[2-(4,9,9-triphenyl-[1]benzosilolo[2,3-d]pyrimidin-2-yl)phenyl]-9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;4,9,9-triphenyl-2-[3-(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[2,3-d]pyrimidine
CID 160853842
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-(2,5,5-triphenyl-[1]benzosilolo[3,2-d]pyrimidin-4-yl)phenyl]-[1]benzofuro[3,2-b]carbazole
CID 140805133

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is c1ccc(-c2nc(-c3ccccc3-n3c4ccccc4c4c5c6ccccc6n(-c6ccccc6)c5ccc43)nc3c2[Si](c2ccccc2)(c2ccccc2)c2ccccc2-3)cc1.
What is the InChIKey of 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?
The InChIKey is BPDXVSINTSLWFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H38N4Si/c1-5-21-39(22-6-1)55-57-56(46-32-16-20-36-52(46)63(57,41-25-9-3-10-26-41)42-27-11-4-12-28-42)60-58(59-55)45-31-15-19-35-49(45)62-48-34-18-14-30-44(48)54-51(62)38-37-50-53(54)43-29-13-17-33-47(43)61(50)40-23-7-2-8-24-40/h1-38H.
What are the key properties of 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?
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 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 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 is sourced from PubChem (CID 140805212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).