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

C52H38N2Si — CID 140785828

IUPAC12-[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
SMILESC[Si]1(C)c2cc3ccccc3cc2-c2c(-c3cccc(-c4cccc(-c5cc(-c6ccccc6)cc(-c6ccccc6)c5)c4)c3)nc(-c3ccccc3)nc21
InChIInChI=1S/C52H38N2Si/c1-55(2)48-34-42-23-13-12-22-41(42)33-47(48)49-50(53-51(54-52(49)55)37-20-10-5-11-21-37)43-27-15-25-39(29-43)38-24-14-26-40(28-38)46-31-44(35-16-6-3-7-17-35)30-45(32-46)36-18-8-4-9-19-36/h3-34H,1-2H3
InChIKeyAMQSERKJDSBCJL-UHFFFAOYSA-N
MW718.98 g/mol
LogP12.43
Rot. Bonds6

About 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

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 (PubChem CID 140785828) has the molecular formula C52H38N2Si and a molecular weight of 718.98 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name12-[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
PubChem CID140785828
Molecular FormulaC52H38N2Si
Molecular Weight718.98 g/mol
Exact Mass718.28
IUPAC Name12-[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
SMILESC[Si]1(C)c2cc3ccccc3cc2-c2c(-c3cccc(-c4cccc(-c5cc(-c6ccccc6)cc(-c6ccccc6)c5)c4)c3)nc(-c3ccccc3)nc21
InChIInChI=1S/C52H38N2Si/c1-55(2)48-34-42-23-13-12-22-41(42)33-47(48)49-50(53-51(54-52(49)55)37-20-10-5-11-21-37)43-27-15-25-39(29-43)38-24-14-26-40(28-38)46-31-44(35-16-6-3-7-17-35)30-45(32-46)36-18-8-4-9-19-36/h3-34H,1-2H3
InChIKeyAMQSERKJDSBCJL-UHFFFAOYSA-N
XLogP12.43
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500718.98
LogP ≤ 512.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 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 with MolForge

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Related Compounds

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
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
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
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
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
9,9-dimethyl-2,4-bis[3-[3-(4-phenylphenyl)phenyl]phenyl]-[1]benzosilolo[2,3-d]pyrimidine
CID 140763831
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-[3-(3-phenylphenyl)phenyl]-4-[4-(3-phenylphenyl)phenyl]-[1]benzosilolo[2,3-d]pyrimidine
CID 140763843
9,9-dimethyl-2,4-diphenyl-[1]benzosilolo[2,3-d]pyrimidine
CID 140763756
2-[3-[3-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]phenyl]phenyl]-9,9-dimethyl-4-phenyl-[1]benzosilolo[2,3-d]pyrimidine
CID 140747429

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is C[Si]1(C)c2cc3ccccc3cc2-c2c(-c3cccc(-c4cccc(-c5cc(-c6ccccc6)cc(-c6ccccc6)c5)c4)c3)nc(-c3ccccc3)nc21.
What is the InChIKey of 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?
The InChIKey is AMQSERKJDSBCJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H38N2Si/c1-55(2)48-34-42-23-13-12-22-41(42)33-47(48)49-50(53-51(54-52(49)55)37-20-10-5-11-21-37)43-27-15-25-39(29-43)38-24-14-26-40(28-38)46-31-44(35-16-6-3-7-17-35)30-45(32-46)36-18-8-4-9-19-36/h3-34H,1-2H3.
What are the key properties of 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?
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 has a molecular weight of 718.98 g/mol, XLogP of 12.43, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 140785828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).