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

C52H33N3OSi — CID 140805246

IUPAC14-[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
SMILESc1ccc(-c2nc(-c3ccc(-n4c5ccccc5c5c6c(ccc54)oc4ccccc46)cc3)c3c(n2)-c2ccccc2[Si]3(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C52H33N3OSi/c1-4-16-35(17-5-1)52-53-49(51-50(54-52)41-24-12-15-27-46(41)57(51,37-18-6-2-7-19-37)38-20-8-3-9-21-38)34-28-30-36(31-29-34)55-42-25-13-10-22-39(42)47-43(55)32-33-45-48(47)40-23-11-14-26-44(40)56-45/h1-33H
InChIKeyHZTUOWJPVRGHNV-UHFFFAOYSA-N
MW743.94 g/mol
LogP10.16
Rot. Bonds5

About 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

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 (PubChem CID 140805246) has the molecular formula C52H33N3OSi and a molecular weight of 743.94 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name14-[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
PubChem CID140805246
Molecular FormulaC52H33N3OSi
Molecular Weight743.94 g/mol
Exact Mass743.24
IUPAC Name14-[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
SMILESc1ccc(-c2nc(-c3ccc(-n4c5ccccc5c5c6c(ccc54)oc4ccccc46)cc3)c3c(n2)-c2ccccc2[Si]3(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C52H33N3OSi/c1-4-16-35(17-5-1)52-53-49(51-50(54-52)41-24-12-15-27-46(41)57(51,37-18-6-2-7-19-37)38-20-8-3-9-21-38)34-28-30-36(31-29-34)55-42-25-13-10-22-39(42)47-43(55)32-33-45-48(47)40-23-11-14-26-44(40)56-45/h1-33H
InChIKeyHZTUOWJPVRGHNV-UHFFFAOYSA-N
XLogP10.16
TPSA43.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500743.94
LogP ≤ 510.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 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 with MolForge

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Related Compounds

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-(2,5,5-triphenyl-[1]benzosilolo[3,2-d]pyrimidin-4-yl)phenyl]-[1]benzofuro[3,2-c]carbazole
CID 140805004
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-[4-(4,5,5-triphenyl-[1]benzosilolo[3,2-d]pyrimidin-2-yl)phenyl]-[1]benzothiolo[3,2-c]carbazole
CID 140805821
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
12-[4-(5,5-dimethyl-4-phenyl-[1]benzosilolo[3,2-d]pyrimidin-2-yl)phenyl]-[1]benzofuro[3,2-a]carbazole
CID 140805693
4,5,5-triphenyl-2-[3-(5-phenylindolo[3,2-b]carbazol-11-yl)phenyl]-[1]benzosilolo[3,2-d]pyrimidine
CID 140804942
14-[4-[2,4-bis[4-(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-nonaen-14-yl)phenyl]quinazolin-6-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 126630994
14-[4-(9,9-dimethyl-4-phenylindeno[2,1-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
CID 130333723
14-[4-(2,9,9-triphenyl-[1]benzogermolo[2,3-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 140805389
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 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is c1ccc(-c2nc(-c3ccc(-n4c5ccccc5c5c6c(ccc54)oc4ccccc46)cc3)c3c(n2)-c2ccccc2[Si]3(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of 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?
The InChIKey is HZTUOWJPVRGHNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H33N3OSi/c1-4-16-35(17-5-1)52-53-49(51-50(54-52)41-24-12-15-27-46(41)57(51,37-18-6-2-7-19-37)38-20-8-3-9-21-38)34-28-30-36(31-29-34)55-42-25-13-10-22-39(42)47-43(55)32-33-45-48(47)40-23-11-14-26-44(40)56-45/h1-33H.
What are the key properties of 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?
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 has a molecular weight of 743.94 g/mol, XLogP of 10.16, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 140805246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).