16-(4,6-diphenyl-2-pyridinyl)-5,5-dimethyl-12-phenyl-12,16-diaza-5-silahexacyclo[15.7.1.02,15.04,13.06,11.021,25]pentacosa-1(24),2,4(13),6,8,10,14,17,19,21(25),22-undecaene

C47H35N3Si — CID 147654692

IUPAC16-(4,6-diphenyl-2-pyridinyl)-5,5-dimethyl-12-phenyl-12,16-diaza-5-silahexacyclo[15.7.1.02,15.04,13.06,11.021,25]pentacosa-1(24),2,4(13),6,8,10,14,17,19,21(25),22-undecaene
SMILESC[Si]1(C)c2ccccc2N(c2ccccc2)c2cc3c(cc21)-c1cccc2cccc(c12)N3c1cc(-c2ccccc2)cc(-c2ccccc2)n1
InChIInChI=1S/C47H35N3Si/c1-51(2)44-27-13-12-25-40(44)49(36-22-10-5-11-23-36)43-31-42-38(30-45(43)51)37-24-14-20-34-21-15-26-41(47(34)37)50(42)46-29-35(32-16-6-3-7-17-32)28-39(48-46)33-18-8-4-9-19-33/h3-31H,1-2H3
InChIKeyGKEHDACEKLKKGG-UHFFFAOYSA-N
MW669.90 g/mol
LogP11.62
Rot. Bonds4

About 16-(4,6-diphenyl-2-pyridinyl)-5,5-dimethyl-12-phenyl-12,16-diaza-5-silahexacyclo[15.7.1.02,15.04,13.06,11.021,25]pentacosa-1(24),2,4(13),6,8,10,14,17,19,21(25),22-undecaene

16-(4,6-diphenyl-2-pyridinyl)-5,5-dimethyl-12-phenyl-12,16-diaza-5-silahexacyclo[15.7.1.02,15.04,13.06,11.021,25]pentacosa-1(24),2,4(13),6,8,10,14,17,19,21(25),22-undecaene (PubChem CID 147654692) has the molecular formula C47H35N3Si and a molecular weight of 669.90 g/mol. Its IUPAC name is 16-(4,6-diphenyl-2-pyridinyl)-5,5-dimethyl-12-phenyl-12,16-diaza-5-silahexacyclo[15.7.1.02,15.04,13.06,11.021,25]pentacosa-1(24),2,4(13),6,8,10,14,17,19,21(25),22-undecaene.

Molecular Properties

Compound Name16-(4,6-diphenyl-2-pyridinyl)-5,5-dimethyl-12-phenyl-12,16-diaza-5-silahexacyclo[15.7.1.02,15.04,13.06,11.021,25]pentacosa-1(24),2,4(13),6,8,10,14,17,19,21(25),22-undecaene
PubChem CID147654692
Molecular FormulaC47H35N3Si
Molecular Weight669.90 g/mol
Exact Mass669.26
IUPAC Name16-(4,6-diphenyl-2-pyridinyl)-5,5-dimethyl-12-phenyl-12,16-diaza-5-silahexacyclo[15.7.1.02,15.04,13.06,11.021,25]pentacosa-1(24),2,4(13),6,8,10,14,17,19,21(25),22-undecaene
SMILESC[Si]1(C)c2ccccc2N(c2ccccc2)c2cc3c(cc21)-c1cccc2cccc(c12)N3c1cc(-c2ccccc2)cc(-c2ccccc2)n1
InChIInChI=1S/C47H35N3Si/c1-51(2)44-27-13-12-25-40(44)49(36-22-10-5-11-23-36)43-31-42-38(30-45(43)51)37-24-14-20-34-21-15-26-41(47(34)37)50(42)46-29-35(32-16-6-3-7-17-32)28-39(48-46)33-18-8-4-9-19-33/h3-31H,1-2H3
InChIKeyGKEHDACEKLKKGG-UHFFFAOYSA-N
XLogP11.62
TPSA19.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500669.90
LogP ≤ 511.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 16-(4,6-diphenyl-2-pyridinyl)-5,5-dimethyl-12-phenyl-12,16-diaza-5-silahexacyclo[15.7.1.02,15.04,13.06,11.021,25]pentacosa-1(24),2,4(13),6,8,10,14,17,19,21(25),22-undecaene with MolForge

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Related Compounds

5-[4-[6-[4-(10,10-dimethylbenzo[b][1,4]benzazasilin-5-yl)phenyl]-4-phenyl-2-pyridinyl]phenyl]-10,10-dimethylbenzo[b][1,4]benzazasiline
CID 140856453
5-[4-[4-(10,10-dimethylbenzo[b][1,4]benzazasilin-5-yl)-2-(2,6-diphenylpyrimidin-4-yl)phenyl]-3-(2,6-diphenylpyrimidin-4-yl)phenyl]-10,10-dimethylbenzo[b][1,4]benzazasiline
CID 140793735
5-(3,5-dibromophenyl)-8-phenyl-8-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaene
CID 118533012
4-bromo-8-phenyl-8-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaene
CID 118532953
2-[4-[3-[3-(5,5-dimethylbenzo[b][1]benzosilol-2-yl)phenyl]phenyl]phenyl]-4,6-bis(3-phenylphenyl)pyridine
CID 155787405
16-(4,6-diphenyl-1,3,5-triazin-2-yl)-5,5-dimethyl-12-phenyl-12,16-diazahexacyclo[15.7.1.02,15.04,13.06,11.021,25]pentacosa-1(24),2,4(13),6,8,10,14,17,19,21(25),22-undecaene
CID 163630386
3-(4,6-diphenyl-2-pyridinyl)-7-(3-phenylphenyl)-3,7-diazatetracyclo[12.4.0.02,6.08,13]octadeca-1(18),2(6),4,8,10,12,14,16-octaene
CID 165374469
8-(3,5-diphenylphenyl)-15-phenyl-8,14-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene
CID 126682868
5-[5-(10,10-dimethylbenzo[b][1,4]benzazasilin-5-yl)-3,7-bis(4,6-diphenylpyrimidin-2-yl)naphthalen-1-yl]-10,10-dimethylbenzo[b][1,4]benzazasiline
CID 140793863
5-(4,6-diphenyl-1,3,5-triazin-2-yl)-16-phenyl-12-oxa-5,16-diazahexacyclo[15.7.1.02,15.04,13.06,11.021,25]pentacosa-1(24),2,4(13),6,8,10,14,17,19,21(25),22-undecaene
CID 163774065
10-phenyl-4'-[6-phenyl-4-(3-phenylphenyl)-2-pyridinyl]spiro[acridine-9,9'-fluorene]
CID 146663709
4,6-bis(10,10-dimethylbenzo[b][1,4]benzazasilin-5-yl)-N,N-bis(4-pyridin-4-ylphenyl)pyrimidin-2-amine
CID 158572755

Frequently Asked Questions

What is the IUPAC name of 16-(4,6-diphenyl-2-pyridinyl)-5,5-dimethyl-12-phenyl-12,16-diaza-5-silahexacyclo[15.7.1.02,15.04,13.06,11.021,25]pentacosa-1(24),2,4(13),6,8,10,14,17,19,21(25),22-undecaene?
The IUPAC name of 16-(4,6-diphenyl-2-pyridinyl)-5,5-dimethyl-12-phenyl-12,16-diaza-5-silahexacyclo[15.7.1.02,15.04,13.06,11.021,25]pentacosa-1(24),2,4(13),6,8,10,14,17,19,21(25),22-undecaene (CID 147654692) is 16-(4,6-diphenyl-2-pyridinyl)-5,5-dimethyl-12-phenyl-12,16-diaza-5-silahexacyclo[15.7.1.02,15.04,13.06,11.021,25]pentacosa-1(24),2,4(13),6,8,10,14,17,19,21(25),22-undecaene.
What is the SMILES notation for 16-(4,6-diphenyl-2-pyridinyl)-5,5-dimethyl-12-phenyl-12,16-diaza-5-silahexacyclo[15.7.1.02,15.04,13.06,11.021,25]pentacosa-1(24),2,4(13),6,8,10,14,17,19,21(25),22-undecaene?
The canonical SMILES for 16-(4,6-diphenyl-2-pyridinyl)-5,5-dimethyl-12-phenyl-12,16-diaza-5-silahexacyclo[15.7.1.02,15.04,13.06,11.021,25]pentacosa-1(24),2,4(13),6,8,10,14,17,19,21(25),22-undecaene is C[Si]1(C)c2ccccc2N(c2ccccc2)c2cc3c(cc21)-c1cccc2cccc(c12)N3c1cc(-c2ccccc2)cc(-c2ccccc2)n1.
What is the InChIKey of 16-(4,6-diphenyl-2-pyridinyl)-5,5-dimethyl-12-phenyl-12,16-diaza-5-silahexacyclo[15.7.1.02,15.04,13.06,11.021,25]pentacosa-1(24),2,4(13),6,8,10,14,17,19,21(25),22-undecaene?
The InChIKey is GKEHDACEKLKKGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H35N3Si/c1-51(2)44-27-13-12-25-40(44)49(36-22-10-5-11-23-36)43-31-42-38(30-45(43)51)37-24-14-20-34-21-15-26-41(47(34)37)50(42)46-29-35(32-16-6-3-7-17-32)28-39(48-46)33-18-8-4-9-19-33/h3-31H,1-2H3.
What are the key properties of 16-(4,6-diphenyl-2-pyridinyl)-5,5-dimethyl-12-phenyl-12,16-diaza-5-silahexacyclo[15.7.1.02,15.04,13.06,11.021,25]pentacosa-1(24),2,4(13),6,8,10,14,17,19,21(25),22-undecaene?
16-(4,6-diphenyl-2-pyridinyl)-5,5-dimethyl-12-phenyl-12,16-diaza-5-silahexacyclo[15.7.1.02,15.04,13.06,11.021,25]pentacosa-1(24),2,4(13),6,8,10,14,17,19,21(25),22-undecaene has a molecular weight of 669.90 g/mol, XLogP of 11.62, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 16-(4,6-diphenyl-2-pyridinyl)-5,5-dimethyl-12-phenyl-12,16-diaza-5-silahexacyclo[15.7.1.02,15.04,13.06,11.021,25]pentacosa-1(24),2,4(13),6,8,10,14,17,19,21(25),22-undecaene is sourced from PubChem (CID 147654692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).