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

C50H36N2Si — CID 140785893

IUPAC17,17-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
SMILESC[Si]1(C)c2cc3ccccc3cc2-c2c(-c3cccc4ccccc34)nc(-c3cccc(-c4cccc(-c5ccc(-c6ccccc6)cc5)c4)c3)nc21
InChIInChI=1S/C50H36N2Si/c1-53(2)46-32-41-17-7-6-16-40(41)31-45(46)47-48(44-24-12-18-36-15-8-9-23-43(36)44)51-49(52-50(47)53)42-22-11-21-39(30-42)38-20-10-19-37(29-38)35-27-25-34(26-28-35)33-13-4-3-5-14-33/h3-32H,1-2H3
InChIKeyVSHWJZFHGZRNIO-UHFFFAOYSA-N
MW692.94 g/mol
LogP11.92
Rot. Bonds5

About 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

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 (PubChem CID 140785893) has the molecular formula C50H36N2Si and a molecular weight of 692.94 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name17,17-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
PubChem CID140785893
Molecular FormulaC50H36N2Si
Molecular Weight692.94 g/mol
Exact Mass692.26
IUPAC Name17,17-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
SMILESC[Si]1(C)c2cc3ccccc3cc2-c2c(-c3cccc4ccccc34)nc(-c3cccc(-c4cccc(-c5ccc(-c6ccccc6)cc5)c4)c3)nc21
InChIInChI=1S/C50H36N2Si/c1-53(2)46-32-41-17-7-6-16-40(41)31-45(46)47-48(44-24-12-18-36-15-8-9-23-43(36)44)51-49(52-50(47)53)42-22-11-21-39(30-42)38-20-10-19-37(29-38)35-27-25-34(26-28-35)33-13-4-3-5-14-33/h3-32H,1-2H3
InChIKeyVSHWJZFHGZRNIO-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'}

Analyze 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 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
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
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
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
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-bis[3-[3-(4-phenylphenyl)phenyl]phenyl]-[1]benzosilolo[2,3-d]pyrimidine
CID 140763831
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-(3,5-diphenylphenyl)-5-phenylphenyl]phenyl]-9,9-dimethyl-4-phenyl-[1]benzosilolo[2,3-d]pyrimidine
CID 140763811
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 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is C[Si]1(C)c2cc3ccccc3cc2-c2c(-c3cccc4ccccc34)nc(-c3cccc(-c4cccc(-c5ccc(-c6ccccc6)cc5)c4)c3)nc21.
What is the InChIKey of 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?
The InChIKey is VSHWJZFHGZRNIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H36N2Si/c1-53(2)46-32-41-17-7-6-16-40(41)31-45(46)47-48(44-24-12-18-36-15-8-9-23-43(36)44)51-49(52-50(47)53)42-22-11-21-39(30-42)38-20-10-19-37(29-38)35-27-25-34(26-28-35)33-13-4-3-5-14-33/h3-32H,1-2H3.
What are the key properties of 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?
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 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 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 is sourced from PubChem (CID 140785893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).