21-[3-(12H-imidazo[1,2-f]phenanthridin-12-id-11-yloxy)benzene-2-id-1-yl]-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-nonaene;platinum(2+)

C50H30N4O2PtSi — CID 162483200

IUPAC21-[3-(12H-imidazo[1,2-f]phenanthridin-12-id-11-yloxy)benzene-2-id-1-yl]-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-nonaene;platinum(2+)
SMILES[Pt+2].[c-]1c(Oc2[c-]c3c(cc2)c2ccccc2n2ccnc32)cccc1N1c2ncccc2[Si](c2ccccc2)(c2ccccc2)c2ccc3oc4ccccc4c3c21
InChIInChI=1S/C50H30N4O2Si.Pt/c1-3-15-36(16-4-1)57(37-17-5-2-6-18-37)45-27-26-44-47(40-20-8-10-22-43(40)56-44)48(45)54(50-46(57)23-12-28-51-50)33-13-11-14-34(31-33)55-35-24-25-38-39-19-7-9-21-42(39)53-30-29-52-49(53)41(38)32-35;/h1-30H;/q-2;+2
InChIKeyVUUNIFDRAAPUJD-UHFFFAOYSA-N
MW941.98 g/mol
LogP9.49
Rot. Bonds5

About 21-[3-(12H-imidazo[1,2-f]phenanthridin-12-id-11-yloxy)benzene-2-id-1-yl]-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-nonaene;platinum(2+)

21-[3-(12H-imidazo[1,2-f]phenanthridin-12-id-11-yloxy)benzene-2-id-1-yl]-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-nonaene;platinum(2+) (PubChem CID 162483200) has the molecular formula C50H30N4O2PtSi and a molecular weight of 941.98 g/mol. Its IUPAC name is 21-[3-(12H-imidazo[1,2-f]phenanthridin-12-id-11-yloxy)benzene-2-id-1-yl]-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-nonaene;platinum(2+).

Molecular Properties

Compound Name21-[3-(12H-imidazo[1,2-f]phenanthridin-12-id-11-yloxy)benzene-2-id-1-yl]-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-nonaene;platinum(2+)
PubChem CID162483200
Molecular FormulaC50H30N4O2PtSi
Molecular Weight941.98 g/mol
Exact Mass941.18
IUPAC Name21-[3-(12H-imidazo[1,2-f]phenanthridin-12-id-11-yloxy)benzene-2-id-1-yl]-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-nonaene;platinum(2+)
SMILES[Pt+2].[c-]1c(Oc2[c-]c3c(cc2)c2ccccc2n2ccnc32)cccc1N1c2ncccc2[Si](c2ccccc2)(c2ccccc2)c2ccc3oc4ccccc4c3c21
InChIInChI=1S/C50H30N4O2Si.Pt/c1-3-15-36(16-4-1)57(37-17-5-2-6-18-37)45-27-26-44-47(40-20-8-10-22-43(40)56-44)48(45)54(50-46(57)23-12-28-51-50)33-13-11-14-34(31-33)55-35-24-25-38-39-19-7-9-21-42(39)53-30-29-52-49(53)41(38)32-35;/h1-30H;/q-2;+2
InChIKeyVUUNIFDRAAPUJD-UHFFFAOYSA-N
XLogP9.49
TPSA55.80 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms58
Complexity

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500941.98
LogP ≤ 59.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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'}

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Frequently Asked Questions

What is the IUPAC name of 21-[3-(12H-imidazo[1,2-f]phenanthridin-12-id-11-yloxy)benzene-2-id-1-yl]-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-nonaene;platinum(2+)?
The IUPAC name of 21-[3-(12H-imidazo[1,2-f]phenanthridin-12-id-11-yloxy)benzene-2-id-1-yl]-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-nonaene;platinum(2+) (CID 162483200) is 21-[3-(12H-imidazo[1,2-f]phenanthridin-12-id-11-yloxy)benzene-2-id-1-yl]-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-nonaene;platinum(2+).
What is the SMILES notation for 21-[3-(12H-imidazo[1,2-f]phenanthridin-12-id-11-yloxy)benzene-2-id-1-yl]-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-nonaene;platinum(2+)?
The canonical SMILES for 21-[3-(12H-imidazo[1,2-f]phenanthridin-12-id-11-yloxy)benzene-2-id-1-yl]-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-nonaene;platinum(2+) is [Pt+2].[c-]1c(Oc2[c-]c3c(cc2)c2ccccc2n2ccnc32)cccc1N1c2ncccc2[Si](c2ccccc2)(c2ccccc2)c2ccc3oc4ccccc4c3c21.
What is the InChIKey of 21-[3-(12H-imidazo[1,2-f]phenanthridin-12-id-11-yloxy)benzene-2-id-1-yl]-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-nonaene;platinum(2+)?
The InChIKey is VUUNIFDRAAPUJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H30N4O2Si.Pt/c1-3-15-36(16-4-1)57(37-17-5-2-6-18-37)45-27-26-44-47(40-20-8-10-22-43(40)56-44)48(45)54(50-46(57)23-12-28-51-50)33-13-11-14-34(31-33)55-35-24-25-38-39-19-7-9-21-42(39)53-30-29-52-49(53)41(38)32-35;/h1-30H;/q-2;+2.
What are the key properties of 21-[3-(12H-imidazo[1,2-f]phenanthridin-12-id-11-yloxy)benzene-2-id-1-yl]-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-nonaene;platinum(2+)?
21-[3-(12H-imidazo[1,2-f]phenanthridin-12-id-11-yloxy)benzene-2-id-1-yl]-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-nonaene;platinum(2+) has a molecular weight of 941.98 g/mol, XLogP of 9.49, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 21-[3-(12H-imidazo[1,2-f]phenanthridin-12-id-11-yloxy)benzene-2-id-1-yl]-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-nonaene;platinum(2+) is sourced from PubChem (CID 162483200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).