[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]-diphenyl-(3-pyrido[2,3-b]indol-9-ylphenyl)silane

C53H35N3OSi — CID 140842382

IUPAC[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]-diphenyl-(3-pyrido[2,3-b]indol-9-ylphenyl)silane
SMILESc1ccc([Si](c2ccccc2)(c2ccc(-n3c4ccccc4c4c5c(ccc43)oc3ccccc35)cc2)c2cccc(-n3c4ccccc4c4cccnc43)c2)cc1
InChIInChI=1S/C53H35N3OSi/c1-3-16-38(17-4-1)58(39-18-5-2-6-19-39,41-20-13-15-37(35-41)56-46-25-10-7-21-42(46)43-24-14-34-54-53(43)56)40-30-28-36(29-31-40)55-47-26-11-8-22-44(47)51-48(55)32-33-50-52(51)45-23-9-12-27-49(45)57-50/h1-35H
InChIKeyJITHYRHTADKFRJ-UHFFFAOYSA-N
MW757.97 g/mol
LogP10.55
Rot. Bonds6

About [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]-diphenyl-(3-pyrido[2,3-b]indol-9-ylphenyl)silane

[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]-diphenyl-(3-pyrido[2,3-b]indol-9-ylphenyl)silane (PubChem CID 140842382) has the molecular formula C53H35N3OSi and a molecular weight of 757.97 g/mol. Its IUPAC name is [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]-diphenyl-(3-pyrido[2,3-b]indol-9-ylphenyl)silane.

Molecular Properties

Compound Name[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]-diphenyl-(3-pyrido[2,3-b]indol-9-ylphenyl)silane
PubChem CID140842382
Molecular FormulaC53H35N3OSi
Molecular Weight757.97 g/mol
Exact Mass757.25
IUPAC Name[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]-diphenyl-(3-pyrido[2,3-b]indol-9-ylphenyl)silane
SMILESc1ccc([Si](c2ccccc2)(c2ccc(-n3c4ccccc4c4c5c(ccc43)oc3ccccc35)cc2)c2cccc(-n3c4ccccc4c4cccnc43)c2)cc1
InChIInChI=1S/C53H35N3OSi/c1-3-16-38(17-4-1)58(39-18-5-2-6-19-39,41-20-13-15-37(35-41)56-46-25-10-7-21-42(46)43-24-14-34-54-53(43)56)40-30-28-36(29-31-40)55-47-26-11-8-22-44(47)51-48(55)32-33-50-52(51)45-23-9-12-27-49(45)57-50/h1-35H
InChIKeyJITHYRHTADKFRJ-UHFFFAOYSA-N
XLogP10.55
TPSA35.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500757.97
LogP ≤ 510.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze [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]-diphenyl-(3-pyrido[2,3-b]indol-9-ylphenyl)silane with MolForge

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Related Compounds

9-[3-[[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]-diphenylsilyl]phenyl]carbazole-3-carbonitrile
CID 140842581
[3-[3-(4-dibenzofuran-1-ylcarbazol-9-yl)carbazol-9-yl]phenyl]-triphenylsilane
CID 166588993
[3-([1]benzofuro[2,3-a]carbazol-12-yl)phenyl]-(4-carbazol-9-ylphenyl)-diphenylsilane;[3-([1]benzofuro[3,2-a]carbazol-12-yl)phenyl]-(4-carbazol-9-ylphenyl)-diphenylsilane;[4-([1]benzofuro[2,3-a]carbazol-12-yl)phenyl]-(3-carbazol-9-ylphenyl)-diphenylsilane;[3-([1]benzofuro[3,2-c]carbazol-5-yl)phenyl]-(3-carbazol-9-ylphenyl)-diphenylsilane;[3-([1]benzofuro[3,2-c]carbazol-5-yl)phenyl]-(4-carbazol-9-ylphenyl)-diphenylsilane
CID 158577794
14-[3-(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]-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 67952738
(8-carbazol-9-yldibenzofuran-4-yl)-diphenyl-(8-pyrido[2,3-b]indol-9-yldibenzofuran-4-yl)silane
CID 140811582
[4-([1]benzofuro[3,2-c]carbazol-5-yl)phenyl]-diphenyl-(9-phenylcarbazol-3-yl)silane
CID 140842671
dibenzofuran-1-yl-diphenyl-(9-phenylcarbazol-3-yl)silane
CID 170779740
6-(3-carbazol-9-ylcarbazol-9-yl)-9-phenylpyrido[2,3-b]indole
CID 168845228
[3-([1]benzofuro[3,2-c]carbazol-5-yl)phenyl]-(4-bromophenyl)-diphenylsilane
CID 140842642
3-[[4-([1]benzofuro[2,3-b]carbazol-7-yl)phenyl]-(3-carbazol-9-ylphenyl)-(3-isocyanophenyl)silyl]benzonitrile;[4-([1]benzofuro[2,3-b]carbazol-7-yl)phenyl]-diphenyl-(3-pyrido[2,3-b]indol-9-ylphenyl)silane;9-[3-[[4-([1]benzofuro[2,3-b]carbazol-7-yl)phenyl]-diphenylsilyl]phenyl]carbazole-3-carbonitrile;9-[3-[[4-([1]benzofuro[2,3-b]carbazol-7-yl)phenyl]-diphenylsilyl]phenyl]-6-isocyanocarbazole-3-carbonitrile
CID 165065891
(3-carbazol-9-ylphenyl)-[3-(1-dibenzofuran-1-ylcarbazol-9-yl)phenyl]-diphenylsilane
CID 177073528
diphenyl-(3-phenylphenyl)-(9-phenylpyrido[2,3-b]indol-6-yl)silane
CID 158596767

Frequently Asked Questions

What is the IUPAC name of [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]-diphenyl-(3-pyrido[2,3-b]indol-9-ylphenyl)silane?
The IUPAC name of [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]-diphenyl-(3-pyrido[2,3-b]indol-9-ylphenyl)silane (CID 140842382) is [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]-diphenyl-(3-pyrido[2,3-b]indol-9-ylphenyl)silane.
What is the SMILES notation for [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]-diphenyl-(3-pyrido[2,3-b]indol-9-ylphenyl)silane?
The canonical SMILES for [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]-diphenyl-(3-pyrido[2,3-b]indol-9-ylphenyl)silane is c1ccc([Si](c2ccccc2)(c2ccc(-n3c4ccccc4c4c5c(ccc43)oc3ccccc35)cc2)c2cccc(-n3c4ccccc4c4cccnc43)c2)cc1.
What is the InChIKey of [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]-diphenyl-(3-pyrido[2,3-b]indol-9-ylphenyl)silane?
The InChIKey is JITHYRHTADKFRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H35N3OSi/c1-3-16-38(17-4-1)58(39-18-5-2-6-19-39,41-20-13-15-37(35-41)56-46-25-10-7-21-42(46)43-24-14-34-54-53(43)56)40-30-28-36(29-31-40)55-47-26-11-8-22-44(47)51-48(55)32-33-50-52(51)45-23-9-12-27-49(45)57-50/h1-35H.
What are the key properties of [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]-diphenyl-(3-pyrido[2,3-b]indol-9-ylphenyl)silane?
[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]-diphenyl-(3-pyrido[2,3-b]indol-9-ylphenyl)silane has a molecular weight of 757.97 g/mol, XLogP of 10.55, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [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]-diphenyl-(3-pyrido[2,3-b]indol-9-ylphenyl)silane is sourced from PubChem (CID 140842382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).