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

C51H33FN4SSi — CID 140953996

IUPAC7-[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
SMILESFC(c1ccc2c3ccccc3n3ccnc3c2c1)c1ccc2c3cc4c(cc3n(-c3ccccn3)c2c1)Sc1ccccc1[Si]4(c1ccccc1)c1ccccc1
InChIInChI=1S/C51H33FN4SSi/c52-50(33-22-24-37-38-17-7-8-18-42(38)55-28-27-54-51(55)41(37)29-33)34-23-25-39-40-31-48-46(32-44(40)56(43(39)30-34)49-21-11-12-26-53-49)57-45-19-9-10-20-47(45)58(48,35-13-3-1-4-14-35)36-15-5-2-6-16-36/h1-32,50H
InChIKeyNXMSIAOLZFLSLO-UHFFFAOYSA-N
MW781.00 g/mol
LogP10.03
Rot. Bonds5

About 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

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 (PubChem CID 140953996) has the molecular formula C51H33FN4SSi and a molecular weight of 781.00 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name7-[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
PubChem CID140953996
Molecular FormulaC51H33FN4SSi
Molecular Weight781.00 g/mol
Exact Mass780.22
IUPAC Name7-[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
SMILESFC(c1ccc2c3ccccc3n3ccnc3c2c1)c1ccc2c3cc4c(cc3n(-c3ccccn3)c2c1)Sc1ccccc1[Si]4(c1ccccc1)c1ccccc1
InChIInChI=1S/C51H33FN4SSi/c52-50(33-22-24-37-38-17-7-8-18-42(38)55-28-27-54-51(55)41(37)29-33)34-23-25-39-40-31-48-46(32-44(40)56(43(39)30-34)49-21-11-12-26-53-49)57-45-19-9-10-20-47(45)58(48,35-13-3-1-4-14-35)36-15-5-2-6-16-36/h1-32,50H
InChIKeyNXMSIAOLZFLSLO-UHFFFAOYSA-N
XLogP10.03
TPSA35.12 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500781.00
LogP ≤ 510.03
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'}

Analyze 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 with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

9-[fluoro(imidazo[1,2-f]phenanthridin-11-yl)methyl]-11-pyridin-2-yl-[1]benzofuro[3,2-b]carbazole
CID 140954604
10-[fluoro(imidazo[1,2-f]phenanthridin-11-yl)methyl]-5,13,13-triphenyl-12-pyridin-2-yl-[1,4]benzazasilino[3,2-a]carbazole
CID 140955324
3-[fluoro(imidazo[1,2-f]phenanthridin-11-yl)methyl]-12-phenyl-5-pyridin-2-ylindolo[3,2-c]carbazole
CID 140951548
7-[fluoro(imidazo[1,2-f]phenanthridin-11-yl)methyl]-21,21-dimethyl-10-pyridin-2-yl-14-oxa-10-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4(9),5,7,11,15,17,19-nonaene
CID 140953098
6-[fluoro(imidazo[1,2-f]phenanthridin-11-yl)methyl]-13,13-dimethyl-8-pyridin-2-ylthiochromeno[2,3-c]carbazole
CID 140954677
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
7-[fluoro(imidazo[1,2-f]phenanthridin-11-yl)methyl]-5-pyridin-2-yl-[1]benzothiolo[3,2-c]carbazole
CID 140954675
10-[3-[fluoro-[3-(1-methylbenzimidazol-2-yl)phenyl]methyl]phenyl]-21,21-diphenyl-14-thia-8,10-diaza-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 140952770
[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
10-[3-[fluoro(imidazo[1,2-f]phenanthridin-11-yl)methyl]phenyl]-14-phenyl-8,10,14-triazapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15,17,19-nonaene
CID 140952311
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
10-[3-[fluoro(12H-imidazo[1,2-f]phenanthridin-12-id-11-yl)methyl]benzene-2-id-1-yl]-21,21-dimethyl-14-thia-8,10-diaza-21-silapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4(9),5,7,11,15,17,19-nonaene;platinum(2+)
CID 162483074

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is FC(c1ccc2c3ccccc3n3ccnc3c2c1)c1ccc2c3cc4c(cc3n(-c3ccccn3)c2c1)Sc1ccccc1[Si]4(c1ccccc1)c1ccccc1.
What is the InChIKey of 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?
The InChIKey is NXMSIAOLZFLSLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H33FN4SSi/c52-50(33-22-24-37-38-17-7-8-18-42(38)55-28-27-54-51(55)41(37)29-33)34-23-25-39-40-31-48-46(32-44(40)56(43(39)30-34)49-21-11-12-26-53-49)57-45-19-9-10-20-47(45)58(48,35-13-3-1-4-14-35)36-15-5-2-6-16-36/h1-32,50H.
What are the key properties of 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?
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 has a molecular weight of 781.00 g/mol, XLogP of 10.03, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 140953996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).