18-[fluoro(imidazo[1,2-f]phenanthridin-11-yl)methyl]-14,14-diphenyl-21-pyridin-2-yl-9-thia-21-aza-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

C51H33FN4SSi — CID 140953796

IUPAC18-[fluoro(imidazo[1,2-f]phenanthridin-11-yl)methyl]-14,14-diphenyl-21-pyridin-2-yl-9-thia-21-aza-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
SMILESFC(c1ccc2c(c1)N(c1ccccn1)c1c(ccc3sc4ccccc4c13)[Si]2(c1ccccc1)c1ccccc1)c1ccc2c3ccccc3n3ccnc3c2c1
InChIInChI=1S/C51H33FN4SSi/c52-49(33-22-24-37-38-17-7-9-19-41(38)55-30-29-54-51(55)40(37)31-33)34-23-26-45-42(32-34)56(47-21-11-12-28-53-47)50-46(27-25-44-48(50)39-18-8-10-20-43(39)57-44)58(45,35-13-3-1-4-14-35)36-15-5-2-6-16-36/h1-32,49H
InChIKeyVZCXRGWCTBYYCT-UHFFFAOYSA-N
MW781.00 g/mol
LogP10.62
Rot. Bonds5

About 18-[fluoro(imidazo[1,2-f]phenanthridin-11-yl)methyl]-14,14-diphenyl-21-pyridin-2-yl-9-thia-21-aza-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

18-[fluoro(imidazo[1,2-f]phenanthridin-11-yl)methyl]-14,14-diphenyl-21-pyridin-2-yl-9-thia-21-aza-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 (PubChem CID 140953796) has the molecular formula C51H33FN4SSi and a molecular weight of 781.00 g/mol. Its IUPAC name is 18-[fluoro(imidazo[1,2-f]phenanthridin-11-yl)methyl]-14,14-diphenyl-21-pyridin-2-yl-9-thia-21-aza-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.

Molecular Properties

Compound Name18-[fluoro(imidazo[1,2-f]phenanthridin-11-yl)methyl]-14,14-diphenyl-21-pyridin-2-yl-9-thia-21-aza-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
PubChem CID140953796
Molecular FormulaC51H33FN4SSi
Molecular Weight781.00 g/mol
Exact Mass780.22
IUPAC Name18-[fluoro(imidazo[1,2-f]phenanthridin-11-yl)methyl]-14,14-diphenyl-21-pyridin-2-yl-9-thia-21-aza-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
SMILESFC(c1ccc2c(c1)N(c1ccccn1)c1c(ccc3sc4ccccc4c13)[Si]2(c1ccccc1)c1ccccc1)c1ccc2c3ccccc3n3ccnc3c2c1
InChIInChI=1S/C51H33FN4SSi/c52-49(33-22-24-37-38-17-7-9-19-41(38)55-30-29-54-51(55)40(37)31-33)34-23-26-45-42(32-34)56(47-21-11-12-28-53-47)50-46(27-25-44-48(50)39-18-8-10-20-43(39)57-44)58(45,35-13-3-1-4-14-35)36-15-5-2-6-16-36/h1-32,49H
InChIKeyVZCXRGWCTBYYCT-UHFFFAOYSA-N
XLogP10.62
TPSA33.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500781.00
LogP ≤ 510.62
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 18-[fluoro(imidazo[1,2-f]phenanthridin-11-yl)methyl]-14,14-diphenyl-21-pyridin-2-yl-9-thia-21-aza-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 with MolForge

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Related Compounds

6-[(8-Fluoro-6-thiophen-3-ylimidazo[1,2-a]pyridin-3-yl)methyl]quinoline
CID 122179433
N-(2-fluorophenyl)-N-[7-[(E)-2-(15-phenyl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaen-3-yl)ethenyl]dibenzothiophen-2-yl]pyridin-2-amine
CID 90363919
8-Fluoro-4-[(2-thiophen-3-ylimidazo[4,5-b]pyrazin-3-yl)methyl]quinoline
CID 90884664
N-(2-fluorophenyl)-N-[7-[2-(15-phenyl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaen-3-yl)ethenyl]dibenzothiophen-2-yl]pyridin-2-amine
CID 123641818
5-Fluoro-20-isoquinolin-5-yl-9-(4-phenyl-[1]benzothiolo[3,2-d]pyrimidin-2-yl)-24-thia-9-azahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3(8),4,6,11,13,15,18(23),19,21-undecaene
CID 134182650
4-[10-[4-(2,6-Difluoro-3-pyridinyl)phenyl]anthracen-9-yl]-16-thia-2,8-diazatetracyclo[7.7.0.02,7.010,15]hexadeca-1(9),3,5,7,10,12,14-heptaene
CID 134389065
4-[10-(2,6-Difluoro-3-pyridinyl)anthracen-9-yl]-16-thia-2,8-diazatetracyclo[7.7.0.02,7.010,15]hexadeca-1(9),3,5,7,10,12,14-heptaene
CID 134389074
4-[10-[4-(2,6-Difluoro-3-pyridinyl)phenyl]-3,4-dihydroanthracen-9-yl]-16-thia-2,8-diazatetracyclo[7.7.0.02,7.010,15]hexadeca-1(9),3,5,7,10,12,14-heptaene
CID 134389346
6-[1-[5-(1-Benzothiophen-2-yl)imidazo[4,5-b]pyrazin-3-yl]ethyl]-7-fluoroquinoline
CID 141370260
6-[1-[5-(1-Benzothiophen-3-yl)imidazo[4,5-b]pyrazin-3-yl]ethyl]-7-fluoroquinoline
CID 141370307
6-[1-[5-(1-Benzothiophen-2-yl)imidazo[4,5-b]pyrazin-3-yl]ethyl]-5,7-difluoroquinoline
CID 141370342
4-[4-(3-Fluorophenyl)-2-[3-[4-(3-fluorophenyl)quinazolin-2-yl]-5-methylphenyl]quinazolin-7-yl]-[1]benzothiolo[3,2-b]pyridine
CID 142336216

Frequently Asked Questions

What is the IUPAC name of 18-[fluoro(imidazo[1,2-f]phenanthridin-11-yl)methyl]-14,14-diphenyl-21-pyridin-2-yl-9-thia-21-aza-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?
The IUPAC name of 18-[fluoro(imidazo[1,2-f]phenanthridin-11-yl)methyl]-14,14-diphenyl-21-pyridin-2-yl-9-thia-21-aza-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 (CID 140953796) is 18-[fluoro(imidazo[1,2-f]phenanthridin-11-yl)methyl]-14,14-diphenyl-21-pyridin-2-yl-9-thia-21-aza-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.
What is the SMILES notation for 18-[fluoro(imidazo[1,2-f]phenanthridin-11-yl)methyl]-14,14-diphenyl-21-pyridin-2-yl-9-thia-21-aza-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?
The canonical SMILES for 18-[fluoro(imidazo[1,2-f]phenanthridin-11-yl)methyl]-14,14-diphenyl-21-pyridin-2-yl-9-thia-21-aza-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 is FC(c1ccc2c(c1)N(c1ccccn1)c1c(ccc3sc4ccccc4c13)[Si]2(c1ccccc1)c1ccccc1)c1ccc2c3ccccc3n3ccnc3c2c1.
What is the InChIKey of 18-[fluoro(imidazo[1,2-f]phenanthridin-11-yl)methyl]-14,14-diphenyl-21-pyridin-2-yl-9-thia-21-aza-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?
The InChIKey is VZCXRGWCTBYYCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H33FN4SSi/c52-49(33-22-24-37-38-17-7-9-19-41(38)55-30-29-54-51(55)40(37)31-33)34-23-26-45-42(32-34)56(47-21-11-12-28-53-47)50-46(27-25-44-48(50)39-18-8-10-20-43(39)57-44)58(45,35-13-3-1-4-14-35)36-15-5-2-6-16-36/h1-32,49H.
What are the key properties of 18-[fluoro(imidazo[1,2-f]phenanthridin-11-yl)methyl]-14,14-diphenyl-21-pyridin-2-yl-9-thia-21-aza-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?
18-[fluoro(imidazo[1,2-f]phenanthridin-11-yl)methyl]-14,14-diphenyl-21-pyridin-2-yl-9-thia-21-aza-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 has a molecular weight of 781.00 g/mol, XLogP of 10.62, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 18-[fluoro(imidazo[1,2-f]phenanthridin-11-yl)methyl]-14,14-diphenyl-21-pyridin-2-yl-9-thia-21-aza-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 is sourced from PubChem (CID 140953796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).