21,21-dimethyl-16-phenyl-18-[3-[3-(4-phenylphenyl)phenyl]phenyl]-17,19-diaza-21-silapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15,17,19-decaene

C50H36N2Si — CID 140785899

IUPAC21,21-dimethyl-16-phenyl-18-[3-[3-(4-phenylphenyl)phenyl]phenyl]-17,19-diaza-21-silapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15,17,19-decaene
SMILESC[Si]1(C)c2nc(-c3cccc(-c4cccc(-c5ccc(-c6ccccc6)cc5)c4)c3)nc(-c3ccccc3)c2-c2c1c1ccccc1c1ccccc21
InChIInChI=1S/C50H36N2Si/c1-53(2)48-44-26-12-10-24-42(44)41-23-9-11-25-43(41)45(48)46-47(36-17-7-4-8-18-36)51-49(52-50(46)53)40-22-14-21-39(32-40)38-20-13-19-37(31-38)35-29-27-34(28-30-35)33-15-5-3-6-16-33/h3-32H,1-2H3
InChIKeyFEDKXUHCLAUTHD-UHFFFAOYSA-N
MW692.94 g/mol
LogP11.92
Rot. Bonds5

About 21,21-dimethyl-16-phenyl-18-[3-[3-(4-phenylphenyl)phenyl]phenyl]-17,19-diaza-21-silapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15,17,19-decaene

21,21-dimethyl-16-phenyl-18-[3-[3-(4-phenylphenyl)phenyl]phenyl]-17,19-diaza-21-silapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15,17,19-decaene (PubChem CID 140785899) has the molecular formula C50H36N2Si and a molecular weight of 692.94 g/mol. Its IUPAC name is 21,21-dimethyl-16-phenyl-18-[3-[3-(4-phenylphenyl)phenyl]phenyl]-17,19-diaza-21-silapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15,17,19-decaene.

Molecular Properties

Compound Name21,21-dimethyl-16-phenyl-18-[3-[3-(4-phenylphenyl)phenyl]phenyl]-17,19-diaza-21-silapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15,17,19-decaene
PubChem CID140785899
Molecular FormulaC50H36N2Si
Molecular Weight692.94 g/mol
Exact Mass692.26
IUPAC Name21,21-dimethyl-16-phenyl-18-[3-[3-(4-phenylphenyl)phenyl]phenyl]-17,19-diaza-21-silapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15,17,19-decaene
SMILESC[Si]1(C)c2nc(-c3cccc(-c4cccc(-c5ccc(-c6ccccc6)cc5)c4)c3)nc(-c3ccccc3)c2-c2c1c1ccccc1c1ccccc21
InChIInChI=1S/C50H36N2Si/c1-53(2)48-44-26-12-10-24-42(44)41-23-9-11-25-43(41)45(48)46-47(36-17-7-4-8-18-36)51-49(52-50(46)53)40-22-14-21-39(32-40)38-20-13-19-37(31-38)35-29-27-34(28-30-35)33-15-5-3-6-16-33/h3-32H,1-2H3
InChIKeyFEDKXUHCLAUTHD-UHFFFAOYSA-N
XLogP11.92
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500692.94
LogP ≤ 511.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 21,21-dimethyl-16-phenyl-18-[3-[3-(4-phenylphenyl)phenyl]phenyl]-17,19-diaza-21-silapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15,17,19-decaene with MolForge

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Related Compounds

21,21-dimethyl-16-naphthalen-1-yl-18-[3-(3-phenylphenyl)phenyl]-17,19-diaza-21-silapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15,17,19-decaene
CID 140785904
9,9-dimethyl-2-[3-(3-phenylphenyl)phenyl]-4-[4-(3-phenylphenyl)phenyl]-[1]benzosilolo[2,3-d]pyrimidine
CID 140763843
11,11-dimethyl-14-phenyl-16-[3-[3-(4-phenylphenyl)phenyl]phenyl]-13,15-diaza-11-silatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,8,12,14,16-octaene
CID 140785887
17,17-dimethyl-12-naphthalen-1-yl-14-[3-[3-(4-phenylphenyl)phenyl]phenyl]-13,15-diaza-17-silatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11,13,15-octaene
CID 140785893
9,9-dimethyl-4-(3-phenylphenyl)-2-[3-[3-[3-(3-phenylphenyl)phenyl]phenyl]phenyl]-[1]benzosilolo[2,3-d]pyrimidine;9,9-dimethyl-4-(4-phenylphenyl)-2-[3-[3-[3-(3-phenylphenyl)phenyl]phenyl]phenyl]-[1]benzosilolo[2,3-d]pyrimidine;2-[3-[3-(3,5-diphenylphenyl)phenyl]phenyl]-9,9-dimethyl-4-phenyl-[1]benzosilolo[2,3-d]pyrimidine
CID 160774994
2-[3-[3-[3-(3,5-diphenylphenyl)phenyl]phenyl]phenyl]-9,9-dimethyl-4-phenyl-[1]benzosilolo[2,3-d]pyrimidine
CID 140763872
2-[3-[3-(3,5-diphenylphenyl)-5-phenylphenyl]phenyl]-9,9-dimethyl-4-phenyl-[1]benzosilolo[2,3-d]pyrimidine
CID 140763811
9,9-dimethyl-2,4-bis[3-[3-(4-phenylphenyl)phenyl]phenyl]-[1]benzosilolo[2,3-d]pyrimidine
CID 140763831
2-[3-[4-[3-(3,5-diphenylphenyl)phenyl]phenyl]phenyl]-9,9-dimethyl-4-(3-phenylphenyl)-[1]benzosilolo[2,3-d]pyrimidine
CID 140763791
9,9-dimethyl-2,4-bis(3-phenylphenyl)-[1]benzosilolo[2,3-d]pyrimidine
CID 123442715
12-[3-[3-(3,5-diphenylphenyl)phenyl]phenyl]-17,17-dimethyl-14-phenyl-13,15-diaza-17-silatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11,13,15-octaene
CID 140785828
17,17-dimethyl-14-naphthalen-1-yl-12-(3-phenylphenyl)-13,15-diaza-17-silatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11,13,15-octaene
CID 140785734

Frequently Asked Questions

What is the IUPAC name of 21,21-dimethyl-16-phenyl-18-[3-[3-(4-phenylphenyl)phenyl]phenyl]-17,19-diaza-21-silapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15,17,19-decaene?
The IUPAC name of 21,21-dimethyl-16-phenyl-18-[3-[3-(4-phenylphenyl)phenyl]phenyl]-17,19-diaza-21-silapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15,17,19-decaene (CID 140785899) is 21,21-dimethyl-16-phenyl-18-[3-[3-(4-phenylphenyl)phenyl]phenyl]-17,19-diaza-21-silapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15,17,19-decaene.
What is the SMILES notation for 21,21-dimethyl-16-phenyl-18-[3-[3-(4-phenylphenyl)phenyl]phenyl]-17,19-diaza-21-silapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15,17,19-decaene?
The canonical SMILES for 21,21-dimethyl-16-phenyl-18-[3-[3-(4-phenylphenyl)phenyl]phenyl]-17,19-diaza-21-silapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15,17,19-decaene is C[Si]1(C)c2nc(-c3cccc(-c4cccc(-c5ccc(-c6ccccc6)cc5)c4)c3)nc(-c3ccccc3)c2-c2c1c1ccccc1c1ccccc21.
What is the InChIKey of 21,21-dimethyl-16-phenyl-18-[3-[3-(4-phenylphenyl)phenyl]phenyl]-17,19-diaza-21-silapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15,17,19-decaene?
The InChIKey is FEDKXUHCLAUTHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H36N2Si/c1-53(2)48-44-26-12-10-24-42(44)41-23-9-11-25-43(41)45(48)46-47(36-17-7-4-8-18-36)51-49(52-50(46)53)40-22-14-21-39(32-40)38-20-13-19-37(31-38)35-29-27-34(28-30-35)33-15-5-3-6-16-33/h3-32H,1-2H3.
What are the key properties of 21,21-dimethyl-16-phenyl-18-[3-[3-(4-phenylphenyl)phenyl]phenyl]-17,19-diaza-21-silapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15,17,19-decaene?
21,21-dimethyl-16-phenyl-18-[3-[3-(4-phenylphenyl)phenyl]phenyl]-17,19-diaza-21-silapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15,17,19-decaene has a molecular weight of 692.94 g/mol, XLogP of 11.92, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 21,21-dimethyl-16-phenyl-18-[3-[3-(4-phenylphenyl)phenyl]phenyl]-17,19-diaza-21-silapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15,17,19-decaene is sourced from PubChem (CID 140785899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).