16,16-dimethyl-24-phenyl-7,24-diaza-16-silahexacyclo[19.2.1.05,23.06,15.09,14.017,22]tetracosa-1,3,5(23),6(15),7,9,11,13,17,19,21-undecaene

C29H22N2Si — CID 164814443

IUPAC16,16-dimethyl-24-phenyl-7,24-diaza-16-silahexacyclo[19.2.1.05,23.06,15.09,14.017,22]tetracosa-1,3,5(23),6(15),7,9,11,13,17,19,21-undecaene
SMILESC[Si]1(C)c2c(ncc3ccccc23)-c2cccc3c2c2c1cccc2n3-c1ccccc1
InChIInChI=1S/C29H22N2Si/c1-32(2)25-17-9-16-24-27(25)26-22(28-29(32)21-13-7-6-10-19(21)18-30-28)14-8-15-23(26)31(24)20-11-4-3-5-12-20/h3-18H,1-2H3
InChIKeyYAAPLAGXQBKENZ-UHFFFAOYSA-N
MW426.60 g/mol
LogP6.13
Rot. Bonds1

About 16,16-dimethyl-24-phenyl-7,24-diaza-16-silahexacyclo[19.2.1.05,23.06,15.09,14.017,22]tetracosa-1,3,5(23),6(15),7,9,11,13,17,19,21-undecaene

16,16-dimethyl-24-phenyl-7,24-diaza-16-silahexacyclo[19.2.1.05,23.06,15.09,14.017,22]tetracosa-1,3,5(23),6(15),7,9,11,13,17,19,21-undecaene (PubChem CID 164814443) has the molecular formula C29H22N2Si and a molecular weight of 426.60 g/mol. Its IUPAC name is 16,16-dimethyl-24-phenyl-7,24-diaza-16-silahexacyclo[19.2.1.05,23.06,15.09,14.017,22]tetracosa-1,3,5(23),6(15),7,9,11,13,17,19,21-undecaene.

Molecular Properties

Compound Name16,16-dimethyl-24-phenyl-7,24-diaza-16-silahexacyclo[19.2.1.05,23.06,15.09,14.017,22]tetracosa-1,3,5(23),6(15),7,9,11,13,17,19,21-undecaene
PubChem CID164814443
Molecular FormulaC29H22N2Si
Molecular Weight426.60 g/mol
Exact Mass426.16
IUPAC Name16,16-dimethyl-24-phenyl-7,24-diaza-16-silahexacyclo[19.2.1.05,23.06,15.09,14.017,22]tetracosa-1,3,5(23),6(15),7,9,11,13,17,19,21-undecaene
SMILESC[Si]1(C)c2c(ncc3ccccc23)-c2cccc3c2c2c1cccc2n3-c1ccccc1
InChIInChI=1S/C29H22N2Si/c1-32(2)25-17-9-16-24-27(25)26-22(28-29(32)21-13-7-6-10-19(21)18-30-28)14-8-15-23(26)31(24)20-11-4-3-5-12-20/h3-18H,1-2H3
InChIKeyYAAPLAGXQBKENZ-UHFFFAOYSA-N
XLogP6.13
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500426.60
LogP ≤ 56.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 16,16-dimethyl-24-phenyl-7,24-diaza-16-silahexacyclo[19.2.1.05,23.06,15.09,14.017,22]tetracosa-1,3,5(23),6(15),7,9,11,13,17,19,21-undecaene with MolForge

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Related Compounds

16,16-dimethyl-24-oxa-7-aza-16-silahexacyclo[19.2.1.05,23.06,15.09,14.017,22]tetracosa-1,3,5(23),6(15),7,9,11,13,17,19,21-undecaene
CID 164814323
12,12-dimethyl-20-phenyl-7,20-diaza-12-silapentacyclo[15.2.1.05,19.06,11.013,18]icosa-1,3,5(19),6(11),7,9,13,15,17-nonaene
CID 164814338
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CID 160505311
5,5-dimethyl-4-phenyl-2-[3-(5-phenylindolo[3,2-b]carbazol-11-yl)phenyl]-[1]benzosilolo[3,2-d]pyrimidine
CID 140804843
5,5-dimethyl-2-[3-(7-phenylbenzo[c]carbazol-10-yl)phenyl]-4-(3-phenylphenyl)-[1]benzosilolo[3,2-d]pyrimidine
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4-(4-carbazol-9-ylphenyl)-5,5-dimethyl-2-(9-phenylcarbazol-2-yl)-[1]benzosilolo[3,2-d]pyrimidine
CID 154010418
5,5-dimethyl-4-phenyl-2-[4-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]-[1]benzosilolo[3,2-d]pyrimidine
CID 140805334
21-naphthalen-1-yl-27-phenyl-27-azaheptacyclo[12.11.1.16,9.02,7.08,13.015,20.022,26]heptacosa-1(25),2(7),3,5,8(13),9,11,14(26),15,17,19,21,23-tridecaene
CID 170226043
7-phenylindolo[2,3-c]isoquinoline
CID 140770399
5,5-dimethyl-2-(9-phenylcarbazol-3-yl)-4-(3-phenylphenyl)-[1]benzosilolo[3,2-d]pyrimidine;5,5-dimethyl-2-(9-phenylcarbazol-3-yl)-4-(4-phenylphenyl)-[1]benzosilolo[3,2-d]pyrimidine;5,5-dimethyl-4-phenyl-2-[9-(4-phenylphenyl)carbazol-3-yl]-[1]benzosilolo[3,2-d]pyrimidine
CID 159465866
9-phenyl-4-quinolin-2-ylcarbazole
CID 90057431
5,5-dimethyl-4-phenyl-2-[2-(5-phenylindolo[3,2-b]carbazol-11-yl)phenyl]-[1]benzosilolo[3,2-d]pyrimidine
CID 140804939

Frequently Asked Questions

What is the IUPAC name of 16,16-dimethyl-24-phenyl-7,24-diaza-16-silahexacyclo[19.2.1.05,23.06,15.09,14.017,22]tetracosa-1,3,5(23),6(15),7,9,11,13,17,19,21-undecaene?
The IUPAC name of 16,16-dimethyl-24-phenyl-7,24-diaza-16-silahexacyclo[19.2.1.05,23.06,15.09,14.017,22]tetracosa-1,3,5(23),6(15),7,9,11,13,17,19,21-undecaene (CID 164814443) is 16,16-dimethyl-24-phenyl-7,24-diaza-16-silahexacyclo[19.2.1.05,23.06,15.09,14.017,22]tetracosa-1,3,5(23),6(15),7,9,11,13,17,19,21-undecaene.
What is the SMILES notation for 16,16-dimethyl-24-phenyl-7,24-diaza-16-silahexacyclo[19.2.1.05,23.06,15.09,14.017,22]tetracosa-1,3,5(23),6(15),7,9,11,13,17,19,21-undecaene?
The canonical SMILES for 16,16-dimethyl-24-phenyl-7,24-diaza-16-silahexacyclo[19.2.1.05,23.06,15.09,14.017,22]tetracosa-1,3,5(23),6(15),7,9,11,13,17,19,21-undecaene is C[Si]1(C)c2c(ncc3ccccc23)-c2cccc3c2c2c1cccc2n3-c1ccccc1.
What is the InChIKey of 16,16-dimethyl-24-phenyl-7,24-diaza-16-silahexacyclo[19.2.1.05,23.06,15.09,14.017,22]tetracosa-1,3,5(23),6(15),7,9,11,13,17,19,21-undecaene?
The InChIKey is YAAPLAGXQBKENZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H22N2Si/c1-32(2)25-17-9-16-24-27(25)26-22(28-29(32)21-13-7-6-10-19(21)18-30-28)14-8-15-23(26)31(24)20-11-4-3-5-12-20/h3-18H,1-2H3.
What are the key properties of 16,16-dimethyl-24-phenyl-7,24-diaza-16-silahexacyclo[19.2.1.05,23.06,15.09,14.017,22]tetracosa-1,3,5(23),6(15),7,9,11,13,17,19,21-undecaene?
16,16-dimethyl-24-phenyl-7,24-diaza-16-silahexacyclo[19.2.1.05,23.06,15.09,14.017,22]tetracosa-1,3,5(23),6(15),7,9,11,13,17,19,21-undecaene has a molecular weight of 426.60 g/mol, XLogP of 6.13, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 16,16-dimethyl-24-phenyl-7,24-diaza-16-silahexacyclo[19.2.1.05,23.06,15.09,14.017,22]tetracosa-1,3,5(23),6(15),7,9,11,13,17,19,21-undecaene is sourced from PubChem (CID 164814443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).