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

C50H32N4O2Si — CID 140955007

IUPAC14-(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
SMILESc1ccc([Si]2(c3ccccc3)c3ccccc3N(c3cccc(Oc4ccc5c6ccccc6n6ccnc6c5c4)c3)c3ncc4oc5ccccc5c4c32)cc1
InChIInChI=1S/C50H32N4O2Si/c1-3-16-36(17-4-1)57(37-18-5-2-6-19-37)46-25-12-10-23-43(46)54(50-48(57)47-40-21-8-11-24-44(40)56-45(47)32-52-50)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
InChIKeyWHNDEGSQSURVTF-UHFFFAOYSA-N
MW748.92 g/mol
LogP9.89
Rot. Bonds5

About 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

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 (PubChem CID 140955007) has the molecular formula C50H32N4O2Si and a molecular weight of 748.92 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name14-(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
PubChem CID140955007
Molecular FormulaC50H32N4O2Si
Molecular Weight748.92 g/mol
Exact Mass748.23
IUPAC Name14-(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
SMILESc1ccc([Si]2(c3ccccc3)c3ccccc3N(c3cccc(Oc4ccc5c6ccccc6n6ccnc6c5c4)c3)c3ncc4oc5ccccc5c4c32)cc1
InChIInChI=1S/C50H32N4O2Si/c1-3-16-36(17-4-1)57(37-18-5-2-6-19-37)46-25-12-10-23-43(46)54(50-48(57)47-40-21-8-11-24-44(40)56-45(47)32-52-50)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
InChIKeyWHNDEGSQSURVTF-UHFFFAOYSA-N
XLogP9.89
TPSA55.80 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500748.92
LogP ≤ 59.89
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 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 with MolForge

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Related Compounds

14-[3-[3-(1-methylbenzimidazol-2-yl)phenoxy]phenyl]-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 140954056
imidazo[1,2-f]phenanthridin-11-yl-diphenyl-[3-(3,21,21-triphenyl-3,12,14-triaza-21-silapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-1,4,6,8,10,12,15,17,19-nonaen-14-yl)phenyl]silane
CID 140951786
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
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
[3-(14,14-diphenyl-9-oxa-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-nonaen-21-yl)phenyl]-imidazo[1,2-f]phenanthridin-11-yl-diphenylsilane
CID 140953288
11-imidazo[1,2-f]phenanthridin-11-yloxy-21,21-diphenyl-14-pyridin-2-yl-9-thia-14-aza-21-silapentacyclo[11.8.0.02,10.03,8.015,20]henicosa-1,3,5,7,10,12,15,17,19-nonaene
CID 140954000
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
14-[3-[3-(1-methylbenzimidazol-2-yl)phenoxy]phenyl]-21,21-diphenyl-3-oxa-12,14-diaza-21-silapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-1,4,6,8,10,12,15,17,19-nonaene
CID 140952145
14-[3-[3-(1-methylbenzimidazol-2-yl)phenoxy]phenyl]-21,21-diphenyl-9-oxa-14,16-diaza-21-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 140952181
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
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
18-imidazo[1,2-f]phenanthridin-11-yloxy-14,14-diphenyl-21-pyridin-2-yl-3-thia-21-aza-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 140952638

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is c1ccc([Si]2(c3ccccc3)c3ccccc3N(c3cccc(Oc4ccc5c6ccccc6n6ccnc6c5c4)c3)c3ncc4oc5ccccc5c4c32)cc1.
What is the InChIKey of 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?
The InChIKey is WHNDEGSQSURVTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H32N4O2Si/c1-3-16-36(17-4-1)57(37-18-5-2-6-19-37)46-25-12-10-23-43(46)54(50-48(57)47-40-21-8-11-24-44(40)56-45(47)32-52-50)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 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?
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 has a molecular weight of 748.92 g/mol, XLogP of 9.89, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 140955007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).