[3-(14,14-diphenyl-9-oxa-19,21-diaza-14-silapentacyclo[11.8.0.02,10.03,8.015,20]henicosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaen-21-yl)phenyl]-imidazo[1,2-f]phenanthridin-11-yl-diphenylsilane

C62H42N4OSi2 — CID 140953288

IUPAC[3-(14,14-diphenyl-9-oxa-19,21-diaza-14-silapentacyclo[11.8.0.02,10.03,8.015,20]henicosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaen-21-yl)phenyl]-imidazo[1,2-f]phenanthridin-11-yl-diphenylsilane
SMILESc1ccc([Si](c2ccccc2)(c2cccc(N3c4ncccc4[Si](c4ccccc4)(c4ccccc4)c4ccc5oc6ccccc6c5c43)c2)c2ccc3c4ccccc4n4ccnc4c3c2)cc1
InChIInChI=1S/C62H42N4OSi2/c1-5-20-44(21-6-1)68(45-22-7-2-8-23-45,49-34-35-50-51-29-13-15-31-54(51)65-40-39-64-61(65)53(50)42-49)48-28-17-19-43(41-48)66-60-57(37-36-56-59(60)52-30-14-16-32-55(52)67-56)69(46-24-9-3-10-25-46,47-26-11-4-12-27-47)58-33-18-38-63-62(58)66/h1-42H
InChIKeyRAULBUAWXYAPTR-UHFFFAOYSA-N
MW915.22 g/mol
LogP9.47
Rot. Bonds7

About [3-(14,14-diphenyl-9-oxa-19,21-diaza-14-silapentacyclo[11.8.0.02,10.03,8.015,20]henicosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaen-21-yl)phenyl]-imidazo[1,2-f]phenanthridin-11-yl-diphenylsilane

[3-(14,14-diphenyl-9-oxa-19,21-diaza-14-silapentacyclo[11.8.0.02,10.03,8.015,20]henicosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaen-21-yl)phenyl]-imidazo[1,2-f]phenanthridin-11-yl-diphenylsilane (PubChem CID 140953288) has the molecular formula C62H42N4OSi2 and a molecular weight of 915.22 g/mol. Its IUPAC name is [3-(14,14-diphenyl-9-oxa-19,21-diaza-14-silapentacyclo[11.8.0.02,10.03,8.015,20]henicosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaen-21-yl)phenyl]-imidazo[1,2-f]phenanthridin-11-yl-diphenylsilane.

Molecular Properties

Compound Name[3-(14,14-diphenyl-9-oxa-19,21-diaza-14-silapentacyclo[11.8.0.02,10.03,8.015,20]henicosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaen-21-yl)phenyl]-imidazo[1,2-f]phenanthridin-11-yl-diphenylsilane
PubChem CID140953288
Molecular FormulaC62H42N4OSi2
Molecular Weight915.22 g/mol
Exact Mass914.29
IUPAC Name[3-(14,14-diphenyl-9-oxa-19,21-diaza-14-silapentacyclo[11.8.0.02,10.03,8.015,20]henicosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaen-21-yl)phenyl]-imidazo[1,2-f]phenanthridin-11-yl-diphenylsilane
SMILESc1ccc([Si](c2ccccc2)(c2cccc(N3c4ncccc4[Si](c4ccccc4)(c4ccccc4)c4ccc5oc6ccccc6c5c43)c2)c2ccc3c4ccccc4n4ccnc4c3c2)cc1
InChIInChI=1S/C62H42N4OSi2/c1-5-20-44(21-6-1)68(45-22-7-2-8-23-45,49-34-35-50-51-29-13-15-31-54(51)65-40-39-64-61(65)53(50)42-49)48-28-17-19-43(41-48)66-60-57(37-36-56-59(60)52-30-14-16-32-55(52)67-56)69(46-24-9-3-10-25-46,47-26-11-4-12-27-47)58-33-18-38-63-62(58)66/h1-42H
InChIKeyRAULBUAWXYAPTR-UHFFFAOYSA-N
XLogP9.47
TPSA46.57 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms69
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500915.22
LogP ≤ 59.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}, {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

Analyze [3-(14,14-diphenyl-9-oxa-19,21-diaza-14-silapentacyclo[11.8.0.02,10.03,8.015,20]henicosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaen-21-yl)phenyl]-imidazo[1,2-f]phenanthridin-11-yl-diphenylsilane with MolForge

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Related Compounds

imidazo[1,2-f]phenanthridin-11-yl-diphenyl-[3-(14,14,21-triphenyl-7,9,21-triaza-14-silapentacyclo[11.8.0.02,10.03,8.015,20]henicosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaen-9-yl)phenyl]silane
CID 140953699
(21,21-diphenyl-14-pyridin-2-yl-10-oxa-14-aza-21-silapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15(20),16,18-nonaen-17-yl)-imidazo[1,2-f]phenanthridin-11-yl-diphenylsilane
CID 140954765
21-[3-(12H-imidazo[1,2-f]phenanthridin-12-id-11-yloxy)benzene-2-id-1-yl]-14,14-diphenyl-9-oxa-19,21-diaza-14-silapentacyclo[11.8.0.02,10.03,8.015,20]henicosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaene;platinum(2+)
CID 162483200
imidazo[1,2-f]phenanthridin-11-yl-diphenyl-[3-(3,21,21-triphenyl-3,12,14-triaza-21-silapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-1,4,6,8,10,12,15,17,19-nonaen-14-yl)phenyl]silane
CID 140951786
[3-(14,14-diphenyl-21-thia-3,5-diaza-14-silapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-1(13),2(10),4(9),5,7,11,15,17,19-nonaen-3-yl)phenyl]-imidazo[1,2-f]phenanthridin-11-yl-diphenylsilane
CID 140955578
[3-(14,14-diphenyl-8,10-diaza-21-phospha-14-silapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4(9),5,7,11,15,17,19-nonaen-10-yl)phenyl]-imidazo[1,2-f]phenanthridin-11-yl-diphenylsilane
CID 162482974
21-[3-[fluoro(imidazo[1,2-f]phenanthridin-11-yl)methyl]phenyl]-14,14-diphenyl-3-thia-19,21-diaza-14-silapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-1(13),2(10),4,6,8,11,15(20),16,18-nonaene
CID 140955968
14-(3-imidazo[1,2-f]phenanthridin-11-yloxyphenyl)-21,21-diphenyl-9-oxa-12,14-diaza-21-silapentacyclo[11.8.0.02,10.03,8.015,20]henicosa-1,3,5,7,10,12,15,17,19-nonaene
CID 140955007
(13,13-diphenyl-12-pyridin-2-yl-[1,4]benzoxasilino[3,2-a]carbazol-10-yl)-imidazo[1,2-f]phenanthridin-11-yl-diphenylsilane
CID 140955845
imidazo[1,2-f]phenanthridin-11-yl-diphenyl-(5,13,13-triphenyl-8-pyridin-2-yl-[1,4]benzazasilino[3,2-g]carbazol-10-yl)silane
CID 140953410
imidazo[1,2-f]phenanthridin-11-yl-diphenyl-[3-(14-thia-7,9-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaen-9-yl)phenyl]silane
CID 140955944
imidazo[1,2-f]phenanthridin-11-yl-diphenyl-[3-(20-thia-8,10-diazapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14,16,18-nonaen-10-yl)phenyl]silane
CID 140952139

Frequently Asked Questions

What is the IUPAC name of [3-(14,14-diphenyl-9-oxa-19,21-diaza-14-silapentacyclo[11.8.0.02,10.03,8.015,20]henicosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaen-21-yl)phenyl]-imidazo[1,2-f]phenanthridin-11-yl-diphenylsilane?
The IUPAC name of [3-(14,14-diphenyl-9-oxa-19,21-diaza-14-silapentacyclo[11.8.0.02,10.03,8.015,20]henicosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaen-21-yl)phenyl]-imidazo[1,2-f]phenanthridin-11-yl-diphenylsilane (CID 140953288) is [3-(14,14-diphenyl-9-oxa-19,21-diaza-14-silapentacyclo[11.8.0.02,10.03,8.015,20]henicosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaen-21-yl)phenyl]-imidazo[1,2-f]phenanthridin-11-yl-diphenylsilane.
What is the SMILES notation for [3-(14,14-diphenyl-9-oxa-19,21-diaza-14-silapentacyclo[11.8.0.02,10.03,8.015,20]henicosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaen-21-yl)phenyl]-imidazo[1,2-f]phenanthridin-11-yl-diphenylsilane?
The canonical SMILES for [3-(14,14-diphenyl-9-oxa-19,21-diaza-14-silapentacyclo[11.8.0.02,10.03,8.015,20]henicosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaen-21-yl)phenyl]-imidazo[1,2-f]phenanthridin-11-yl-diphenylsilane is c1ccc([Si](c2ccccc2)(c2cccc(N3c4ncccc4[Si](c4ccccc4)(c4ccccc4)c4ccc5oc6ccccc6c5c43)c2)c2ccc3c4ccccc4n4ccnc4c3c2)cc1.
What is the InChIKey of [3-(14,14-diphenyl-9-oxa-19,21-diaza-14-silapentacyclo[11.8.0.02,10.03,8.015,20]henicosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaen-21-yl)phenyl]-imidazo[1,2-f]phenanthridin-11-yl-diphenylsilane?
The InChIKey is RAULBUAWXYAPTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C62H42N4OSi2/c1-5-20-44(21-6-1)68(45-22-7-2-8-23-45,49-34-35-50-51-29-13-15-31-54(51)65-40-39-64-61(65)53(50)42-49)48-28-17-19-43(41-48)66-60-57(37-36-56-59(60)52-30-14-16-32-55(52)67-56)69(46-24-9-3-10-25-46,47-26-11-4-12-27-47)58-33-18-38-63-62(58)66/h1-42H.
What are the key properties of [3-(14,14-diphenyl-9-oxa-19,21-diaza-14-silapentacyclo[11.8.0.02,10.03,8.015,20]henicosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaen-21-yl)phenyl]-imidazo[1,2-f]phenanthridin-11-yl-diphenylsilane?
[3-(14,14-diphenyl-9-oxa-19,21-diaza-14-silapentacyclo[11.8.0.02,10.03,8.015,20]henicosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaen-21-yl)phenyl]-imidazo[1,2-f]phenanthridin-11-yl-diphenylsilane has a molecular weight of 915.22 g/mol, XLogP of 9.47, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(14,14-diphenyl-9-oxa-19,21-diaza-14-silapentacyclo[11.8.0.02,10.03,8.015,20]henicosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaen-21-yl)phenyl]-imidazo[1,2-f]phenanthridin-11-yl-diphenylsilane is sourced from PubChem (CID 140953288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).