[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

C62H42N4SSi2 — CID 140955578

IUPAC[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
SMILESc1ccc([Si](c2ccccc2)(c2cccc(-n3c4ncccc4c4ccc5c(c43)Sc3ccccc3[Si]5(c3ccccc3)c3ccccc3)c2)c2ccc3c4ccccc4n4ccnc4c3c2)cc1
InChIInChI=1S/C62H42N4SSi2/c1-5-20-44(21-6-1)68(45-22-7-2-8-23-45,49-34-35-50-51-29-13-14-31-55(51)65-40-39-64-61(65)54(50)42-49)48-28-17-19-43(41-48)66-59-52(53-30-18-38-63-62(53)66)36-37-58-60(59)67-56-32-15-16-33-57(56)69(58,46-24-9-3-10-25-46)47-26-11-4-12-27-47/h1-42H
InChIKeyULLVKFLLCFOEJR-UHFFFAOYSA-N
MW931.29 g/mol
LogP9.35
Rot. Bonds7

About [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

[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 (PubChem CID 140955578) has the molecular formula C62H42N4SSi2 and a molecular weight of 931.29 g/mol. Its IUPAC name is [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.

Molecular Properties

Compound Name[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
PubChem CID140955578
Molecular FormulaC62H42N4SSi2
Molecular Weight931.29 g/mol
Exact Mass930.27
IUPAC Name[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
SMILESc1ccc([Si](c2ccccc2)(c2cccc(-n3c4ncccc4c4ccc5c(c43)Sc3ccccc3[Si]5(c3ccccc3)c3ccccc3)c2)c2ccc3c4ccccc4n4ccnc4c3c2)cc1
InChIInChI=1S/C62H42N4SSi2/c1-5-20-44(21-6-1)68(45-22-7-2-8-23-45,49-34-35-50-51-29-13-14-31-55(51)65-40-39-64-61(65)54(50)42-49)48-28-17-19-43(41-48)66-59-52(53-30-18-38-63-62(53)66)36-37-58-60(59)67-56-32-15-16-33-57(56)69(58,46-24-9-3-10-25-46)47-26-11-4-12-27-47/h1-42H
InChIKeyULLVKFLLCFOEJR-UHFFFAOYSA-N
XLogP9.35
TPSA35.12 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms69
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500931.29
LogP ≤ 59.35
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-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 with MolForge

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Related Compounds

[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
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
[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
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
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
9-(3-imidazo[1,2-f]phenanthridin-11-yloxyphenyl)-14,14-diphenyl-21-thia-9,11-diaza-14-silapentacyclo[11.8.0.02,10.03,8.015,20]henicosa-1,3,5,7,10,12,15,17,19-nonaene
CID 140955428
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
(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
7-[fluoro(imidazo[1,2-f]phenanthridin-11-yl)methyl]-21,21-diphenyl-10-pyridin-2-yl-14-thia-10-aza-21-silapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4(9),5,7,11,15,17,19-nonaene
CID 140953996
(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
imidazo[1,2-f]phenanthridin-11-yl-diphenyl-(12-pyridin-2-yl-[1]benzothiolo[2,3-a]carbazol-2-yl)silane
CID 140954071

Frequently Asked Questions

What is the IUPAC name of [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?
The IUPAC name of [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) is [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.
What is the SMILES notation for [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?
The canonical SMILES for [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 is c1ccc([Si](c2ccccc2)(c2cccc(-n3c4ncccc4c4ccc5c(c43)Sc3ccccc3[Si]5(c3ccccc3)c3ccccc3)c2)c2ccc3c4ccccc4n4ccnc4c3c2)cc1.
What is the InChIKey of [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?
The InChIKey is ULLVKFLLCFOEJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C62H42N4SSi2/c1-5-20-44(21-6-1)68(45-22-7-2-8-23-45,49-34-35-50-51-29-13-14-31-55(51)65-40-39-64-61(65)54(50)42-49)48-28-17-19-43(41-48)66-59-52(53-30-18-38-63-62(53)66)36-37-58-60(59)67-56-32-15-16-33-57(56)69(58,46-24-9-3-10-25-46)47-26-11-4-12-27-47/h1-42H.
What are the key properties of [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?
[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 has a molecular weight of 931.29 g/mol, XLogP of 9.35, 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-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 is sourced from PubChem (CID 140955578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).