17-[fluoro(imidazo[1,2-f]phenanthridin-11-yl)methyl]-21,21-diphenyl-14-pyridin-2-yl-3-oxa-14-aza-21-silapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-1(13),2(10),4,6,8,11,15(20),16,18-nonaene

C51H33FN4OSi — CID 140953854

IUPAC17-[fluoro(imidazo[1,2-f]phenanthridin-11-yl)methyl]-21,21-diphenyl-14-pyridin-2-yl-3-oxa-14-aza-21-silapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-1(13),2(10),4,6,8,11,15(20),16,18-nonaene
SMILESFC(c1ccc2c(c1)N(c1ccccn1)c1ccc3c(oc4ccccc43)c1[Si]2(c1ccccc1)c1ccccc1)c1ccc2c3ccccc3n3ccnc3c2c1
InChIInChI=1S/C51H33FN4OSi/c52-48(33-22-24-37-38-17-7-9-19-42(38)55-30-29-54-51(55)41(37)31-33)34-23-27-46-44(32-34)56(47-21-11-12-28-53-47)43-26-25-40-39-18-8-10-20-45(39)57-49(40)50(43)58(46,35-13-3-1-4-14-35)36-15-5-2-6-16-36/h1-32,48H
InChIKeyBJHWIBHLQXKNRW-UHFFFAOYSA-N
MW764.94 g/mol
LogP10.15
Rot. Bonds5

About 17-[fluoro(imidazo[1,2-f]phenanthridin-11-yl)methyl]-21,21-diphenyl-14-pyridin-2-yl-3-oxa-14-aza-21-silapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-1(13),2(10),4,6,8,11,15(20),16,18-nonaene

17-[fluoro(imidazo[1,2-f]phenanthridin-11-yl)methyl]-21,21-diphenyl-14-pyridin-2-yl-3-oxa-14-aza-21-silapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-1(13),2(10),4,6,8,11,15(20),16,18-nonaene (PubChem CID 140953854) has the molecular formula C51H33FN4OSi and a molecular weight of 764.94 g/mol. Its IUPAC name is 17-[fluoro(imidazo[1,2-f]phenanthridin-11-yl)methyl]-21,21-diphenyl-14-pyridin-2-yl-3-oxa-14-aza-21-silapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-1(13),2(10),4,6,8,11,15(20),16,18-nonaene.

Molecular Properties

Compound Name17-[fluoro(imidazo[1,2-f]phenanthridin-11-yl)methyl]-21,21-diphenyl-14-pyridin-2-yl-3-oxa-14-aza-21-silapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-1(13),2(10),4,6,8,11,15(20),16,18-nonaene
PubChem CID140953854
Molecular FormulaC51H33FN4OSi
Molecular Weight764.94 g/mol
Exact Mass764.24
IUPAC Name17-[fluoro(imidazo[1,2-f]phenanthridin-11-yl)methyl]-21,21-diphenyl-14-pyridin-2-yl-3-oxa-14-aza-21-silapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-1(13),2(10),4,6,8,11,15(20),16,18-nonaene
SMILESFC(c1ccc2c(c1)N(c1ccccn1)c1ccc3c(oc4ccccc43)c1[Si]2(c1ccccc1)c1ccccc1)c1ccc2c3ccccc3n3ccnc3c2c1
InChIInChI=1S/C51H33FN4OSi/c52-48(33-22-24-37-38-17-7-9-19-42(38)55-30-29-54-51(55)41(37)31-33)34-23-27-46-44(32-34)56(47-21-11-12-28-53-47)43-26-25-40-39-18-8-10-20-45(39)57-49(40)50(43)58(46,35-13-3-1-4-14-35)36-15-5-2-6-16-36/h1-32,48H
InChIKeyBJHWIBHLQXKNRW-UHFFFAOYSA-N
XLogP10.15
TPSA46.57 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500764.94
LogP ≤ 510.15
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 17-[fluoro(imidazo[1,2-f]phenanthridin-11-yl)methyl]-21,21-diphenyl-14-pyridin-2-yl-3-oxa-14-aza-21-silapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-1(13),2(10),4,6,8,11,15(20),16,18-nonaene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 17-[fluoro(imidazo[1,2-f]phenanthridin-11-yl)methyl]-21,21-diphenyl-14-pyridin-2-yl-3-oxa-14-aza-21-silapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-1(13),2(10),4,6,8,11,15(20),16,18-nonaene?
The IUPAC name of 17-[fluoro(imidazo[1,2-f]phenanthridin-11-yl)methyl]-21,21-diphenyl-14-pyridin-2-yl-3-oxa-14-aza-21-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 140953854) is 17-[fluoro(imidazo[1,2-f]phenanthridin-11-yl)methyl]-21,21-diphenyl-14-pyridin-2-yl-3-oxa-14-aza-21-silapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-1(13),2(10),4,6,8,11,15(20),16,18-nonaene.
What is the SMILES notation for 17-[fluoro(imidazo[1,2-f]phenanthridin-11-yl)methyl]-21,21-diphenyl-14-pyridin-2-yl-3-oxa-14-aza-21-silapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-1(13),2(10),4,6,8,11,15(20),16,18-nonaene?
The canonical SMILES for 17-[fluoro(imidazo[1,2-f]phenanthridin-11-yl)methyl]-21,21-diphenyl-14-pyridin-2-yl-3-oxa-14-aza-21-silapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-1(13),2(10),4,6,8,11,15(20),16,18-nonaene is FC(c1ccc2c(c1)N(c1ccccn1)c1ccc3c(oc4ccccc43)c1[Si]2(c1ccccc1)c1ccccc1)c1ccc2c3ccccc3n3ccnc3c2c1.
What is the InChIKey of 17-[fluoro(imidazo[1,2-f]phenanthridin-11-yl)methyl]-21,21-diphenyl-14-pyridin-2-yl-3-oxa-14-aza-21-silapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-1(13),2(10),4,6,8,11,15(20),16,18-nonaene?
The InChIKey is BJHWIBHLQXKNRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H33FN4OSi/c52-48(33-22-24-37-38-17-7-9-19-42(38)55-30-29-54-51(55)41(37)31-33)34-23-27-46-44(32-34)56(47-21-11-12-28-53-47)43-26-25-40-39-18-8-10-20-45(39)57-49(40)50(43)58(46,35-13-3-1-4-14-35)36-15-5-2-6-16-36/h1-32,48H.
What are the key properties of 17-[fluoro(imidazo[1,2-f]phenanthridin-11-yl)methyl]-21,21-diphenyl-14-pyridin-2-yl-3-oxa-14-aza-21-silapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-1(13),2(10),4,6,8,11,15(20),16,18-nonaene?
17-[fluoro(imidazo[1,2-f]phenanthridin-11-yl)methyl]-21,21-diphenyl-14-pyridin-2-yl-3-oxa-14-aza-21-silapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-1(13),2(10),4,6,8,11,15(20),16,18-nonaene has a molecular weight of 764.94 g/mol, XLogP of 10.15, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 17-[fluoro(imidazo[1,2-f]phenanthridin-11-yl)methyl]-21,21-diphenyl-14-pyridin-2-yl-3-oxa-14-aza-21-silapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-1(13),2(10),4,6,8,11,15(20),16,18-nonaene is sourced from PubChem (CID 140953854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).