2,2,4,5-tetramethyl-1,3-bis(3-phenylphenyl)-1,3,2-diazasilole

C30H30N2Si — CID 58249953

IUPAC2,2,4,5-tetramethyl-1,3-bis(3-phenylphenyl)-1,3,2-diazasilole
SMILESCC1=C(C)N(c2cccc(-c3ccccc3)c2)[Si](C)(C)N1c1cccc(-c2ccccc2)c1
InChIInChI=1S/C30H30N2Si/c1-23-24(2)32(30-20-12-18-28(22-30)26-15-9-6-10-16-26)33(3,4)31(23)29-19-11-17-27(21-29)25-13-7-5-8-14-25/h5-22H,1-4H3
InChIKeyGYUMZXSPWMZDQK-UHFFFAOYSA-N
MW446.67 g/mol
LogP8.30
Rot. Bonds4

About 2,2,4,5-tetramethyl-1,3-bis(3-phenylphenyl)-1,3,2-diazasilole

2,2,4,5-tetramethyl-1,3-bis(3-phenylphenyl)-1,3,2-diazasilole (PubChem CID 58249953) has the molecular formula C30H30N2Si and a molecular weight of 446.67 g/mol. Its IUPAC name is 2,2,4,5-tetramethyl-1,3-bis(3-phenylphenyl)-1,3,2-diazasilole.

Molecular Properties

Compound Name2,2,4,5-tetramethyl-1,3-bis(3-phenylphenyl)-1,3,2-diazasilole
PubChem CID58249953
Molecular FormulaC30H30N2Si
Molecular Weight446.67 g/mol
Exact Mass446.22
IUPAC Name2,2,4,5-tetramethyl-1,3-bis(3-phenylphenyl)-1,3,2-diazasilole
SMILESCC1=C(C)N(c2cccc(-c3ccccc3)c2)[Si](C)(C)N1c1cccc(-c2ccccc2)c1
InChIInChI=1S/C30H30N2Si/c1-23-24(2)32(30-20-12-18-28(22-30)26-15-9-6-10-16-26)33(3,4)31(23)29-19-11-17-27(21-29)25-13-7-5-8-14-25/h5-22H,1-4H3
InChIKeyGYUMZXSPWMZDQK-UHFFFAOYSA-N
XLogP8.30
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500446.67
LogP ≤ 58.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1,1',3,3'-tetrakis(3-phenylphenyl)-2,2'-spirobi[phenanthro[9,10-d][1,3,2]diazasilole]
CID 58249979
bis(1,3-diphenylbenzene);ethane
CID 144938975
1,3-diphenylbenzene;ethane;methane
CID 171489435
9-[3-(3,5-diphenylphenyl)phenyl]-3,6-diphenylcarbazole
CID 166509860
1,1'-biphenyl;1,3-diphenylbenzene;1,4-diphenylbenzene;ethane;toluene
CID 165006736
1-methyl-3-[4-(4-phenylphenyl)phenyl]benzene
CID 58879503
ethane;1-methyl-3-phenylbenzene
CID 142040878
1,4-bis[3-(3-phenylphenyl)phenyl]benzene
CID 123341500
1-(3-phenylphenyl)-3,5-bis[3-(3-phenylphenyl)phenyl]benzene
CID 177124488
1-phenyl-4-[3-[3-[3-[3-(4-phenylphenyl)phenyl]phenyl]phenyl]phenyl]benzene
CID 12623236
1-(3-phenylphenyl)pyrrole-2,5-dione
CID 930984
5-[3-[3-(3,5-diphenylphenyl)phenyl]phenyl]-10-phenylphenazine
CID 153293260

Frequently Asked Questions

What is the IUPAC name of 2,2,4,5-tetramethyl-1,3-bis(3-phenylphenyl)-1,3,2-diazasilole?
The IUPAC name of 2,2,4,5-tetramethyl-1,3-bis(3-phenylphenyl)-1,3,2-diazasilole (CID 58249953) is 2,2,4,5-tetramethyl-1,3-bis(3-phenylphenyl)-1,3,2-diazasilole.
What is the SMILES notation for 2,2,4,5-tetramethyl-1,3-bis(3-phenylphenyl)-1,3,2-diazasilole?
The canonical SMILES for 2,2,4,5-tetramethyl-1,3-bis(3-phenylphenyl)-1,3,2-diazasilole is CC1=C(C)N(c2cccc(-c3ccccc3)c2)[Si](C)(C)N1c1cccc(-c2ccccc2)c1.
What is the InChIKey of 2,2,4,5-tetramethyl-1,3-bis(3-phenylphenyl)-1,3,2-diazasilole?
The InChIKey is GYUMZXSPWMZDQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H30N2Si/c1-23-24(2)32(30-20-12-18-28(22-30)26-15-9-6-10-16-26)33(3,4)31(23)29-19-11-17-27(21-29)25-13-7-5-8-14-25/h5-22H,1-4H3.
What are the key properties of 2,2,4,5-tetramethyl-1,3-bis(3-phenylphenyl)-1,3,2-diazasilole?
2,2,4,5-tetramethyl-1,3-bis(3-phenylphenyl)-1,3,2-diazasilole has a molecular weight of 446.67 g/mol, XLogP of 8.30, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,4,5-tetramethyl-1,3-bis(3-phenylphenyl)-1,3,2-diazasilole is sourced from PubChem (CID 58249953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).