21-[3-[fluoro-(3-pyridin-2-ylphenyl)methyl]phenyl]-14,14-diphenyl-9-thia-19,21-diaza-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

C47H32FN3SSi — CID 140951499

IUPAC21-[3-[fluoro-(3-pyridin-2-ylphenyl)methyl]phenyl]-14,14-diphenyl-9-thia-19,21-diaza-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(c1cccc(-c2ccccn2)c1)c1cccc(N2c3ncccc3[Si](c3ccccc3)(c3ccccc3)c3ccc4sc5ccccc5c4c32)c1
InChIInChI=1S/C47H32FN3SSi/c48-45(33-15-11-14-32(30-33)39-23-9-10-28-49-39)34-16-12-17-35(31-34)51-46-42(27-26-41-44(46)38-22-7-8-24-40(38)52-41)53(36-18-3-1-4-19-36,37-20-5-2-6-21-37)43-25-13-29-50-47(43)51/h1-31,45H
InChIKeyQCNWIDVILUTNPN-UHFFFAOYSA-N
MW717.95 g/mol
LogP9.73
Rot. Bonds6

About 21-[3-[fluoro-(3-pyridin-2-ylphenyl)methyl]phenyl]-14,14-diphenyl-9-thia-19,21-diaza-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

21-[3-[fluoro-(3-pyridin-2-ylphenyl)methyl]phenyl]-14,14-diphenyl-9-thia-19,21-diaza-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 140951499) has the molecular formula C47H32FN3SSi and a molecular weight of 717.95 g/mol. Its IUPAC name is 21-[3-[fluoro-(3-pyridin-2-ylphenyl)methyl]phenyl]-14,14-diphenyl-9-thia-19,21-diaza-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 Name21-[3-[fluoro-(3-pyridin-2-ylphenyl)methyl]phenyl]-14,14-diphenyl-9-thia-19,21-diaza-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 CID140951499
Molecular FormulaC47H32FN3SSi
Molecular Weight717.95 g/mol
Exact Mass717.21
IUPAC Name21-[3-[fluoro-(3-pyridin-2-ylphenyl)methyl]phenyl]-14,14-diphenyl-9-thia-19,21-diaza-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(c1cccc(-c2ccccn2)c1)c1cccc(N2c3ncccc3[Si](c3ccccc3)(c3ccccc3)c3ccc4sc5ccccc5c4c32)c1
InChIInChI=1S/C47H32FN3SSi/c48-45(33-15-11-14-32(30-33)39-23-9-10-28-49-39)34-16-12-17-35(31-34)51-46-42(27-26-41-44(46)38-22-7-8-24-40(38)52-41)53(36-18-3-1-4-19-36,37-20-5-2-6-21-37)43-25-13-29-50-47(43)51/h1-31,45H
InChIKeyQCNWIDVILUTNPN-UHFFFAOYSA-N
XLogP9.73
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500717.95
LogP ≤ 59.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 21-[3-[fluoro-(3-pyridin-2-ylphenyl)methyl]phenyl]-14,14-diphenyl-9-thia-19,21-diaza-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

1-N,6-N-di(dibenzothiophen-1-yl)-6-N-(2-fluorophenyl)-1-N-pyridin-2-ylpyrene-1,6-diamine
CID 89798904
N-[4-[9-(3-fluoro-2-pyridinyl)carbazol-3-yl]phenyl]-N-(4-phenylphenyl)dibenzothiophen-3-amine
CID 90195053
N-[4-[5-(3-fluoro-2-pyridinyl)-12-phenylindolo[3,2-c]carbazol-2-yl]phenyl]-N-(4-phenylphenyl)dibenzothiophen-3-amine
CID 90195086
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
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
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
17-Fluoro-10-(3-phenylphenyl)-14-thia-8,10-diazapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4(9),5,7,11,15(20),16,18-nonaene
CID 145025190
10-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-5-pyridin-4-ylphenyl]-2-(fluoromethyl)-1-[(Z)-prop-1-enyl]thieno[3,2-a]carbazole
CID 156552109
5-[4-[4-(4-Fluorophenyl)phenyl]-2-pyridinyl]-[1]benzothiolo[3,2-c]carbazole
CID 163665937
N-(4-dibenzothiophen-4-ylphenyl)-N-[4-[3-(2-fluorocarbazol-9-yl)phenyl]phenyl]-5-phenylpyridin-2-amine
CID 169073737
3-(6-Dibenzothiophen-4-yl-3-pyridinyl)-7-(4-fluorophenyl)quinoline
CID 169293933
7-N-([1]benzothiolo[2,3-b]pyridin-7-yl)-2-N-dibenzothiophen-3-yl-2-N,7-N-bis(5-fluoro-2-pyridinyl)phenanthrene-2,7-diamine
CID 171736352

Frequently Asked Questions

What is the IUPAC name of 21-[3-[fluoro-(3-pyridin-2-ylphenyl)methyl]phenyl]-14,14-diphenyl-9-thia-19,21-diaza-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 21-[3-[fluoro-(3-pyridin-2-ylphenyl)methyl]phenyl]-14,14-diphenyl-9-thia-19,21-diaza-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 140951499) is 21-[3-[fluoro-(3-pyridin-2-ylphenyl)methyl]phenyl]-14,14-diphenyl-9-thia-19,21-diaza-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 21-[3-[fluoro-(3-pyridin-2-ylphenyl)methyl]phenyl]-14,14-diphenyl-9-thia-19,21-diaza-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 21-[3-[fluoro-(3-pyridin-2-ylphenyl)methyl]phenyl]-14,14-diphenyl-9-thia-19,21-diaza-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(c1cccc(-c2ccccn2)c1)c1cccc(N2c3ncccc3[Si](c3ccccc3)(c3ccccc3)c3ccc4sc5ccccc5c4c32)c1.
What is the InChIKey of 21-[3-[fluoro-(3-pyridin-2-ylphenyl)methyl]phenyl]-14,14-diphenyl-9-thia-19,21-diaza-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 QCNWIDVILUTNPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H32FN3SSi/c48-45(33-15-11-14-32(30-33)39-23-9-10-28-49-39)34-16-12-17-35(31-34)51-46-42(27-26-41-44(46)38-22-7-8-24-40(38)52-41)53(36-18-3-1-4-19-36,37-20-5-2-6-21-37)43-25-13-29-50-47(43)51/h1-31,45H.
What are the key properties of 21-[3-[fluoro-(3-pyridin-2-ylphenyl)methyl]phenyl]-14,14-diphenyl-9-thia-19,21-diaza-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?
21-[3-[fluoro-(3-pyridin-2-ylphenyl)methyl]phenyl]-14,14-diphenyl-9-thia-19,21-diaza-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 717.95 g/mol, XLogP of 9.73, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 21-[3-[fluoro-(3-pyridin-2-ylphenyl)methyl]phenyl]-14,14-diphenyl-9-thia-19,21-diaza-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 140951499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).