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

C50H32N4SSi — CID 140955944

IUPACimidazo[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
SMILESc1ccc([Si](c2ccccc2)(c2cccc(-n3c4ccc5sc6ccccc6c5c4c4cccnc43)c2)c2ccc3c4ccccc4n4ccnc4c3c2)cc1
InChIInChI=1S/C50H32N4SSi/c1-3-14-34(15-4-1)56(35-16-5-2-6-17-35,37-24-25-38-39-19-7-9-22-43(39)53-30-29-52-49(53)42(38)32-37)36-18-11-13-33(31-36)54-44-26-27-46-48(40-20-8-10-23-45(40)55-46)47(44)41-21-12-28-51-50(41)54/h1-32H
InChIKeyYPFXASIFOQDMCF-UHFFFAOYSA-N
MW748.99 g/mol
LogP9.88
Rot. Bonds5

About 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

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 (PubChem CID 140955944) has the molecular formula C50H32N4SSi and a molecular weight of 748.99 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Nameimidazo[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
PubChem CID140955944
Molecular FormulaC50H32N4SSi
Molecular Weight748.99 g/mol
Exact Mass748.21
IUPAC Nameimidazo[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
SMILESc1ccc([Si](c2ccccc2)(c2cccc(-n3c4ccc5sc6ccccc6c5c4c4cccnc43)c2)c2ccc3c4ccccc4n4ccnc4c3c2)cc1
InChIInChI=1S/C50H32N4SSi/c1-3-14-34(15-4-1)56(35-16-5-2-6-17-35,37-24-25-38-39-19-7-9-22-43(39)53-30-29-52-49(53)42(38)32-37)36-18-11-13-33(31-36)54-44-26-27-46-48(40-20-8-10-23-45(40)55-46)47(44)41-21-12-28-51-50(41)54/h1-32H
InChIKeyYPFXASIFOQDMCF-UHFFFAOYSA-N
XLogP9.88
TPSA35.12 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500748.99
LogP ≤ 59.88
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'}

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Related Compounds

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
31-phenyl-26-thia-5,8,31-triazaoctacyclo[15.14.0.03,15.04,8.09,14.018,30.019,27.020,25]hentriaconta-1(17),2,4,6,9,11,13,15,18(30),19(27),20,22,24,28-tetradecaene
CID 140956564
[3-(1-methylbenzimidazol-2-yl)phenyl]-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 140952185
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
triphenyl-[3-[3-[3-(9-thia-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)carbazol-9-yl]carbazol-9-yl]phenyl]silane
CID 166588745
imidazo[1,2-f]phenanthridin-11-yl-diphenyl-(12-pyridin-2-yl-[1]benzothiolo[2,3-a]carbazol-2-yl)silane
CID 140954071
[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
[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
9-[3-[fluoro(imidazo[1,2-f]phenanthridin-11-yl)methyl]phenyl]-14-thia-9,11-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1,3,5,7,10,12,15,17,19-nonaene
CID 140952045
9-thia-14,17-diazahexacyclo[11.11.0.02,10.03,8.014,18.019,24]tetracosa-1(13),2(10),3,5,7,11,15,17,19,21,23-undecaene
CID 163769030
diphenyl-(3-pyridin-2-ylphenyl)-[3-(9-thia-18,20-diazapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14(19),15,17-nonaen-20-yl)phenyl]silane
CID 140953211
31-phenyl-22-thia-5,8,10,31-tetrazaoctacyclo[15.14.0.03,15.04,8.09,14.018,30.021,29.023,28]hentriaconta-1(17),2,4,6,9(14),10,12,15,18(30),19,21(29),23,25,27-tetradecaene;31-phenyl-22-thia-5,8,13,31-tetrazaoctacyclo[15.14.0.03,15.04,8.09,14.018,30.021,29.023,28]hentriaconta-1,3(15),4,6,9(14),10,12,16,18(30),19,21(29),23,25,27-tetradecaene;31-phenyl-22-thia-5,8,31-triazaoctacyclo[15.14.0.03,15.04,8.09,14.018,30.021,29.023,28]hentriaconta-1(17),2,4,6,9,11,13,15,18(30),19,21(29),23,25,27-tetradecaene
CID 157145948

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is c1ccc([Si](c2ccccc2)(c2cccc(-n3c4ccc5sc6ccccc6c5c4c4cccnc43)c2)c2ccc3c4ccccc4n4ccnc4c3c2)cc1.
What is the InChIKey of 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?
The InChIKey is YPFXASIFOQDMCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H32N4SSi/c1-3-14-34(15-4-1)56(35-16-5-2-6-17-35,37-24-25-38-39-19-7-9-22-43(39)53-30-29-52-49(53)42(38)32-37)36-18-11-13-33(31-36)54-44-26-27-46-48(40-20-8-10-23-45(40)55-46)47(44)41-21-12-28-51-50(41)54/h1-32H.
What are the key properties of 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?
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 has a molecular weight of 748.99 g/mol, XLogP of 9.88, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 140955944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).