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

C48H34N2Si — CID 140785904

IUPAC21,21-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
SMILESC[Si]1(C)c2nc(-c3cccc(-c4cccc(-c5ccccc5)c4)c3)nc(-c3cccc4ccccc34)c2-c2c1c1ccccc1c1ccccc21
InChIInChI=1S/C48H34N2Si/c1-51(2)46-42-27-11-9-25-39(42)38-24-8-10-26-40(38)43(46)44-45(41-28-14-18-32-17-6-7-23-37(32)41)49-47(50-48(44)51)36-22-13-21-35(30-36)34-20-12-19-33(29-34)31-15-4-3-5-16-31/h3-30H,1-2H3
InChIKeySTSVJEUGXFDEHA-UHFFFAOYSA-N
MW666.90 g/mol
LogP11.41
Rot. Bonds4

About 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

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 (PubChem CID 140785904) has the molecular formula C48H34N2Si and a molecular weight of 666.90 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name21,21-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
PubChem CID140785904
Molecular FormulaC48H34N2Si
Molecular Weight666.90 g/mol
Exact Mass666.25
IUPAC Name21,21-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
SMILESC[Si]1(C)c2nc(-c3cccc(-c4cccc(-c5ccccc5)c4)c3)nc(-c3cccc4ccccc34)c2-c2c1c1ccccc1c1ccccc21
InChIInChI=1S/C48H34N2Si/c1-51(2)46-42-27-11-9-25-39(42)38-24-8-10-26-40(38)43(46)44-45(41-28-14-18-32-17-6-7-23-37(32)41)49-47(50-48(44)51)36-22-13-21-35(30-36)34-20-12-19-33(29-34)31-15-4-3-5-16-31/h3-30H,1-2H3
InChIKeySTSVJEUGXFDEHA-UHFFFAOYSA-N
XLogP11.41
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500666.90
LogP ≤ 511.41
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-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 with MolForge

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Related Compounds

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
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
13-[3-[3-(3,5-diphenylphenyl)phenyl]phenyl]-17,17-dimethyl-15-naphthalen-1-yl-12,14-diaza-17-silatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11,13,15-octaene
CID 140785759
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
13-[3-[3-(3,5-diphenylphenyl)phenyl]phenyl]-17,17-dimethyl-15-naphthalen-1-yl-12,14-diaza-17-silatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11,13,15-octaene
CID 140785886
21,21-dimethyl-19-naphthalen-1-yl-17-[3-[3-(4-phenylphenyl)phenyl]phenyl]-16,18-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;17,17-dimethyl-15-naphthalen-1-yl-13-[3-[3-(4-phenylphenyl)phenyl]phenyl]-12,14-diaza-17-silatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11,13,15-octaene;17-[3-[3-(3,5-diphenylphenyl)phenyl]phenyl]-21,21-dimethyl-19-naphthalen-1-yl-16,18-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;13-[3-[3-(3,5-diphenylphenyl)phenyl]phenyl]-17,17-dimethyl-15-naphthalen-1-yl-12,14-diaza-17-silatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11,13,15-octaene;13-[3-[3-(3,5-diphenylphenyl)phenyl]phenyl]-17,17-dimethyl-15-naphthalen-1-yl-12,14-diaza-17-silatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11,13,15-octaene;15-[3-[3-(3,5-diphenylphenyl)phenyl]phenyl]-11,11-dimethyl-13-naphthalen-1-yl-14,16-diaza-11-silatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,8,12,14,16-octaene
CID 157121654
21,21-dimethyl-16-naphthalen-1-yl-18-[3-(3-phenylphenyl)phenyl]-17,19-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15,17,19-decaene
CID 129129338
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
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
9,9-dimethyl-2,4-bis(3-phenylphenyl)-[1]benzosilolo[2,3-d]pyrimidine
CID 123442715
9,9-dimethyl-2-[3-(3-phenylphenyl)phenyl]-4-[4-(3-phenylphenyl)phenyl]-[1]benzosilolo[2,3-d]pyrimidine
CID 140763843
2-[3-[3-[3-(3,5-diphenylphenyl)phenyl]phenyl]phenyl]-9,9-dimethyl-4-phenyl-[1]benzosilolo[2,3-d]pyrimidine
CID 140763872

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is C[Si]1(C)c2nc(-c3cccc(-c4cccc(-c5ccccc5)c4)c3)nc(-c3cccc4ccccc34)c2-c2c1c1ccccc1c1ccccc21.
What is the InChIKey of 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?
The InChIKey is STSVJEUGXFDEHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H34N2Si/c1-51(2)46-42-27-11-9-25-39(42)38-24-8-10-26-40(38)43(46)44-45(41-28-14-18-32-17-6-7-23-37(32)41)49-47(50-48(44)51)36-22-13-21-35(30-36)34-20-12-19-33(29-34)31-15-4-3-5-16-31/h3-30H,1-2H3.
What are the key properties of 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?
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 has a molecular weight of 666.90 g/mol, XLogP of 11.41, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 140785904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).