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

C50H32N4OSSi — CID 140955428

IUPAC9-(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
SMILESc1ccc([Si]2(c3ccccc3)c3ccccc3Sc3c2cnc2c3c3ccccc3n2-c2cccc(Oc3ccc4c5ccccc5n5ccnc5c4c3)c2)cc1
InChIInChI=1S/C50H32N4OSSi/c1-3-16-36(17-4-1)57(37-18-5-2-6-19-37)45-25-12-11-24-44(45)56-48-46(57)32-52-50-47(48)40-21-8-10-23-43(40)54(50)33-14-13-15-34(30-33)55-35-26-27-38-39-20-7-9-22-42(39)53-29-28-51-49(53)41(38)31-35/h1-32H
InChIKeyIEAPYHCLJGGASP-UHFFFAOYSA-N
MW764.99 g/mol
LogP9.77
Rot. Bonds5

About 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

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 (PubChem CID 140955428) has the molecular formula C50H32N4OSSi and a molecular weight of 764.99 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name9-(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
PubChem CID140955428
Molecular FormulaC50H32N4OSSi
Molecular Weight764.99 g/mol
Exact Mass764.21
IUPAC Name9-(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
SMILESc1ccc([Si]2(c3ccccc3)c3ccccc3Sc3c2cnc2c3c3ccccc3n2-c2cccc(Oc3ccc4c5ccccc5n5ccnc5c4c3)c2)cc1
InChIInChI=1S/C50H32N4OSSi/c1-3-16-36(17-4-1)57(37-18-5-2-6-19-37)45-25-12-11-24-44(45)56-48-46(57)32-52-50-47(48)40-21-8-10-23-43(40)54(50)33-14-13-15-34(30-33)55-35-26-27-38-39-20-7-9-22-42(39)53-29-28-51-49(53)41(38)31-35/h1-32H
InChIKeyIEAPYHCLJGGASP-UHFFFAOYSA-N
XLogP9.77
TPSA44.35 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500764.99
LogP ≤ 59.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 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 with MolForge

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Related Compounds

[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
16-phenyl-9-[(16-phenyl-2,5,16-triazahexacyclo[11.11.0.02,6.07,12.015,23.017,22]tetracosa-1(13),3,5,7(12),8,10,14,17,19,21,23-undecaen-9-yl)oxy]-2,5,16-triazahexacyclo[11.11.0.02,6.07,12.015,23.017,22]tetracosa-1(13),3,5,7(12),8,10,14,17,19,21,23-undecaene
CID 162487214
9-[3-[fluoro-(3-pyridin-2-ylphenyl)methyl]phenyl]-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 140954729
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
10-imidazo[1,2-f]phenanthridin-11-yloxy-5,5,13-triphenyl-12-pyridin-2-yl-[1,4]benzazasilino[2,3-a]carbazole
CID 140955384
9-phenyl-17-[(9-phenyl-9,21,24-triazahexacyclo[11.11.0.02,10.03,8.014,19.020,24]tetracosa-1(13),2(10),3,5,7,11,14(19),15,17,20,22-undecaen-17-yl)oxy]-9,21,24-triazahexacyclo[11.11.0.02,10.03,8.014,19.020,24]tetracosa-1(13),2(10),3,5,7,11,14(19),15,17,20,22-undecaene
CID 162487091
6-imidazo[1,2-f]phenanthridin-11-yloxy-5,13,13-triphenyl-8-pyridin-2-yl-[1,4]benzazasilino[2,3-c]carbazole
CID 140955680
9-(3-pyrido[2,3-b]indol-9-ylphenoxy)-16-thia-2,5-diazahexacyclo[11.11.0.02,6.07,12.015,23.017,22]tetracosa-1(13),3,5,7(12),8,10,14,17,19,21,23-undecaene
CID 162487003
18-imidazo[1,2-f]phenanthridin-11-yloxy-14,14-diphenyl-21-pyridin-2-yl-10-thia-21-aza-14-silapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15(20),16,18-nonaene
CID 140953592
14,14,21-triphenyl-9-[3-(3-pyridin-2-ylphenoxy)phenyl]-9,11,21-triaza-14-silapentacyclo[11.8.0.02,10.03,8.015,20]henicosa-1,3,5,7,10,12,15,17,19-nonaene
CID 140953596
9-(5-phenylimidazo[1,2-f]phenanthridin-11-yl)oxy-2,5,16-triazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(13),3,5,7(12),8,10,14,16-octaene
CID 154610868
17-imidazo[1,2-f]phenanthridin-11-yloxy-21,21-diphenyl-14-pyridin-2-yl-10-thia-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-nonaene
CID 140955732

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is c1ccc([Si]2(c3ccccc3)c3ccccc3Sc3c2cnc2c3c3ccccc3n2-c2cccc(Oc3ccc4c5ccccc5n5ccnc5c4c3)c2)cc1.
What is the InChIKey of 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?
The InChIKey is IEAPYHCLJGGASP-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H32N4OSSi/c1-3-16-36(17-4-1)57(37-18-5-2-6-19-37)45-25-12-11-24-44(45)56-48-46(57)32-52-50-47(48)40-21-8-10-23-43(40)54(50)33-14-13-15-34(30-33)55-35-26-27-38-39-20-7-9-22-42(39)53-29-28-51-49(53)41(38)31-35/h1-32H.
What are the key properties of 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?
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 has a molecular weight of 764.99 g/mol, XLogP of 9.77, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 140955428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).