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

C25H20N2Si — CID 164814338

IUPAC12,12-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
SMILESC[Si]1(C)c2cccnc2-c2cccc3c2c2c1cccc2n3-c1ccccc1
InChIInChI=1S/C25H20N2Si/c1-28(2)21-14-7-13-20-24(21)23-18(25-22(28)15-8-16-26-25)11-6-12-19(23)27(20)17-9-4-3-5-10-17/h3-16H,1-2H3
InChIKeyDUQUMGQVLMAYMR-UHFFFAOYSA-N
MW376.54 g/mol
LogP4.98
Rot. Bonds1

About 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

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 (PubChem CID 164814338) has the molecular formula C25H20N2Si and a molecular weight of 376.54 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name12,12-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
PubChem CID164814338
Molecular FormulaC25H20N2Si
Molecular Weight376.54 g/mol
Exact Mass376.14
IUPAC Name12,12-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
SMILESC[Si]1(C)c2cccnc2-c2cccc3c2c2c1cccc2n3-c1ccccc1
InChIInChI=1S/C25H20N2Si/c1-28(2)21-14-7-13-20-24(21)23-18(25-22(28)15-8-16-26-25)11-6-12-19(23)27(20)17-9-4-3-5-10-17/h3-16H,1-2H3
InChIKeyDUQUMGQVLMAYMR-UHFFFAOYSA-N
XLogP4.98
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.54
LogP ≤ 54.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 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 with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

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
5-phenyl-9-(9-phenylcarbazol-2-yl)pyrido[3,2-b]indole
CID 118587992
9-[3-[3-[2-(3-carbazol-9-ylphenyl)-3-pyridinyl]-2-pyridinyl]phenyl]carbazole
CID 122433877
3-[3-[3-(12,12-dimethyl-[1]benzosilolo[3,2-c]carbazol-5-yl)phenyl]phenyl]pyridine-2-carbonitrile
CID 153487902
4-[2-(9-phenylcarbazol-3-yl)carbazol-9-yl]-3,11-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10(15),11,13-octaene
CID 145167603
6',26,27-triphenylspiro[26,27-diazaheptacyclo[21.2.1.110,13.05,25.06,11.012,17.019,24]heptacosa-1,3,5(25),6(11),7,9,12(17),13,15,19(24),20,22-dodecaene-18,14'-6-azatetracyclo[9.2.1.05,13.07,12]tetradeca-1(13),2,4,7,9,11-hexaene]
CID 122522377
7,7-dimethyl-4-phenyl-2-[3-(9-phenylcarbazol-4-yl)phenyl]-[1]benzosilolo[2,3-h]quinazoline
CID 140829193
3-(3-phenylcarbazol-9-yl)-11-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1(16),2,4,6,8,10(15),11,13-octaene
CID 130326206
7,7-dimethyl-5-(9-phenylcarbazol-2-yl)-[1]benzosilolo[2,3-b]carbazole
CID 123876607
6-[9-(2,6-diphenyl-4-pyridinyl)carbazol-4-yl]-9-phenylpyrido[2,3-b]indole
CID 129221841
2-[9-(3,11-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10(15),11,13-octaen-4-yl)carbazol-3-yl]-5-phenylbenzo[b]carbazole
CID 130326154
11-phenyl-12-(2-phenyl-3-pyridinyl)indolo[2,3-a]carbazole
CID 145009951

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is C[Si]1(C)c2cccnc2-c2cccc3c2c2c1cccc2n3-c1ccccc1.
What is the InChIKey of 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?
The InChIKey is DUQUMGQVLMAYMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20N2Si/c1-28(2)21-14-7-13-20-24(21)23-18(25-22(28)15-8-16-26-25)11-6-12-19(23)27(20)17-9-4-3-5-10-17/h3-16H,1-2H3.
What are the key properties of 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?
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 has a molecular weight of 376.54 g/mol, XLogP of 4.98, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 164814338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).