12H-imidazo[1,2-f]phenanthridin-12-id-11-yl-diphenyl-[3-(14,21,21-triphenyl-7,9,14-triaza-21-silapentacyclo[11.8.0.02,10.03,8.015,20]henicosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaen-9-yl)benzene-2-id-1-yl]silane;palladium(2+)

C68H45N5PdSi2 — CID 162483181

IUPAC12H-imidazo[1,2-f]phenanthridin-12-id-11-yl-diphenyl-[3-(14,21,21-triphenyl-7,9,14-triaza-21-silapentacyclo[11.8.0.02,10.03,8.015,20]henicosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaen-9-yl)benzene-2-id-1-yl]silane;palladium(2+)
SMILES[Pd+2].[c-]1c(-n2c3ccc4c(c3c3cccnc32)[Si](c2ccccc2)(c2ccccc2)c2ccccc2N4c2ccccc2)cccc1[Si](c1[c-]c2c(cc1)c1ccccc1n1ccnc21)(c1ccccc1)c1ccccc1
InChIInChI=1S/C68H45N5Si2.Pd/c1-6-22-48(23-7-1)72-61-37-18-19-38-64(61)75(52-29-12-4-13-30-52,53-31-14-5-15-32-53)66-63(72)42-41-62-65(66)58-35-21-43-69-68(58)73(62)49-24-20-33-54(46-49)74(50-25-8-2-9-26-50,51-27-10-3-11-28-51)55-39-40-56-57-34-16-17-36-60(57)71-45-44-70-67(71)59(56)47-55;/h1-45H;/q-2;+2
InChIKeyNEUYUVGIOZIWPK-UHFFFAOYSA-N
MW1094.74 g/mol
LogP10.27
Rot. Bonds8

About 12H-imidazo[1,2-f]phenanthridin-12-id-11-yl-diphenyl-[3-(14,21,21-triphenyl-7,9,14-triaza-21-silapentacyclo[11.8.0.02,10.03,8.015,20]henicosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaen-9-yl)benzene-2-id-1-yl]silane;palladium(2+)

12H-imidazo[1,2-f]phenanthridin-12-id-11-yl-diphenyl-[3-(14,21,21-triphenyl-7,9,14-triaza-21-silapentacyclo[11.8.0.02,10.03,8.015,20]henicosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaen-9-yl)benzene-2-id-1-yl]silane;palladium(2+) (PubChem CID 162483181) has the molecular formula C68H45N5PdSi2 and a molecular weight of 1094.74 g/mol. Its IUPAC name is 12H-imidazo[1,2-f]phenanthridin-12-id-11-yl-diphenyl-[3-(14,21,21-triphenyl-7,9,14-triaza-21-silapentacyclo[11.8.0.02,10.03,8.015,20]henicosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaen-9-yl)benzene-2-id-1-yl]silane;palladium(2+).

Molecular Properties

Compound Name12H-imidazo[1,2-f]phenanthridin-12-id-11-yl-diphenyl-[3-(14,21,21-triphenyl-7,9,14-triaza-21-silapentacyclo[11.8.0.02,10.03,8.015,20]henicosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaen-9-yl)benzene-2-id-1-yl]silane;palladium(2+)
PubChem CID162483181
Molecular FormulaC68H45N5PdSi2
Molecular Weight1094.74 g/mol
Exact Mass1093.22
IUPAC Name12H-imidazo[1,2-f]phenanthridin-12-id-11-yl-diphenyl-[3-(14,21,21-triphenyl-7,9,14-triaza-21-silapentacyclo[11.8.0.02,10.03,8.015,20]henicosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaen-9-yl)benzene-2-id-1-yl]silane;palladium(2+)
SMILES[Pd+2].[c-]1c(-n2c3ccc4c(c3c3cccnc32)[Si](c2ccccc2)(c2ccccc2)c2ccccc2N4c2ccccc2)cccc1[Si](c1[c-]c2c(cc1)c1ccccc1n1ccnc21)(c1ccccc1)c1ccccc1
InChIInChI=1S/C68H45N5Si2.Pd/c1-6-22-48(23-7-1)72-61-37-18-19-38-64(61)75(52-29-12-4-13-30-52,53-31-14-5-15-32-53)66-63(72)42-41-62-65(66)58-35-21-43-69-68(58)73(62)49-24-20-33-54(46-49)74(50-25-8-2-9-26-50,51-27-10-3-11-28-51)55-39-40-56-57-34-16-17-36-60(57)71-45-44-70-67(71)59(56)47-55;/h1-45H;/q-2;+2
InChIKeyNEUYUVGIOZIWPK-UHFFFAOYSA-N
XLogP10.27
TPSA38.36 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms76
Complexity

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001094.74
LogP ≤ 510.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}, {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

Analyze 12H-imidazo[1,2-f]phenanthridin-12-id-11-yl-diphenyl-[3-(14,21,21-triphenyl-7,9,14-triaza-21-silapentacyclo[11.8.0.02,10.03,8.015,20]henicosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaen-9-yl)benzene-2-id-1-yl]silane;palladium(2+) with MolForge

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Frequently Asked Questions

What is the IUPAC name of 12H-imidazo[1,2-f]phenanthridin-12-id-11-yl-diphenyl-[3-(14,21,21-triphenyl-7,9,14-triaza-21-silapentacyclo[11.8.0.02,10.03,8.015,20]henicosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaen-9-yl)benzene-2-id-1-yl]silane;palladium(2+)?
The IUPAC name of 12H-imidazo[1,2-f]phenanthridin-12-id-11-yl-diphenyl-[3-(14,21,21-triphenyl-7,9,14-triaza-21-silapentacyclo[11.8.0.02,10.03,8.015,20]henicosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaen-9-yl)benzene-2-id-1-yl]silane;palladium(2+) (CID 162483181) is 12H-imidazo[1,2-f]phenanthridin-12-id-11-yl-diphenyl-[3-(14,21,21-triphenyl-7,9,14-triaza-21-silapentacyclo[11.8.0.02,10.03,8.015,20]henicosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaen-9-yl)benzene-2-id-1-yl]silane;palladium(2+).
What is the SMILES notation for 12H-imidazo[1,2-f]phenanthridin-12-id-11-yl-diphenyl-[3-(14,21,21-triphenyl-7,9,14-triaza-21-silapentacyclo[11.8.0.02,10.03,8.015,20]henicosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaen-9-yl)benzene-2-id-1-yl]silane;palladium(2+)?
The canonical SMILES for 12H-imidazo[1,2-f]phenanthridin-12-id-11-yl-diphenyl-[3-(14,21,21-triphenyl-7,9,14-triaza-21-silapentacyclo[11.8.0.02,10.03,8.015,20]henicosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaen-9-yl)benzene-2-id-1-yl]silane;palladium(2+) is [Pd+2].[c-]1c(-n2c3ccc4c(c3c3cccnc32)[Si](c2ccccc2)(c2ccccc2)c2ccccc2N4c2ccccc2)cccc1[Si](c1[c-]c2c(cc1)c1ccccc1n1ccnc21)(c1ccccc1)c1ccccc1.
What is the InChIKey of 12H-imidazo[1,2-f]phenanthridin-12-id-11-yl-diphenyl-[3-(14,21,21-triphenyl-7,9,14-triaza-21-silapentacyclo[11.8.0.02,10.03,8.015,20]henicosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaen-9-yl)benzene-2-id-1-yl]silane;palladium(2+)?
The InChIKey is NEUYUVGIOZIWPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C68H45N5Si2.Pd/c1-6-22-48(23-7-1)72-61-37-18-19-38-64(61)75(52-29-12-4-13-30-52,53-31-14-5-15-32-53)66-63(72)42-41-62-65(66)58-35-21-43-69-68(58)73(62)49-24-20-33-54(46-49)74(50-25-8-2-9-26-50,51-27-10-3-11-28-51)55-39-40-56-57-34-16-17-36-60(57)71-45-44-70-67(71)59(56)47-55;/h1-45H;/q-2;+2.
What are the key properties of 12H-imidazo[1,2-f]phenanthridin-12-id-11-yl-diphenyl-[3-(14,21,21-triphenyl-7,9,14-triaza-21-silapentacyclo[11.8.0.02,10.03,8.015,20]henicosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaen-9-yl)benzene-2-id-1-yl]silane;palladium(2+)?
12H-imidazo[1,2-f]phenanthridin-12-id-11-yl-diphenyl-[3-(14,21,21-triphenyl-7,9,14-triaza-21-silapentacyclo[11.8.0.02,10.03,8.015,20]henicosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaen-9-yl)benzene-2-id-1-yl]silane;palladium(2+) has a molecular weight of 1094.74 g/mol, XLogP of 10.27, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 12H-imidazo[1,2-f]phenanthridin-12-id-11-yl-diphenyl-[3-(14,21,21-triphenyl-7,9,14-triaza-21-silapentacyclo[11.8.0.02,10.03,8.015,20]henicosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaen-9-yl)benzene-2-id-1-yl]silane;palladium(2+) is sourced from PubChem (CID 162483181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).