1-phenyl-2,2,3,3-tetrakis(2,4,6-trimethylphenyl)azadisiliridine

C42H49NSi2 — CID 15632733

IUPAC1-phenyl-2,2,3,3-tetrakis(2,4,6-trimethylphenyl)azadisiliridine
SMILESCc1cc(C)c([Si]2(c3c(C)cc(C)cc3C)N(c3ccccc3)[Si]2(c2c(C)cc(C)cc2C)c2c(C)cc(C)cc2C)c(C)c1
InChIInChI=1S/C42H49NSi2/c1-26-18-30(5)39(31(6)19-26)44(40-32(7)20-27(2)21-33(40)8)43(38-16-14-13-15-17-38)45(44,41-34(9)22-28(3)23-35(41)10)42-36(11)24-29(4)25-37(42)12/h13-25H,1-12H3
InChIKeyOIVIMNOYOSTORZ-UHFFFAOYSA-N
MW624.03 g/mol
LogP7.81
Rot. Bonds5

About 1-phenyl-2,2,3,3-tetrakis(2,4,6-trimethylphenyl)azadisiliridine

1-phenyl-2,2,3,3-tetrakis(2,4,6-trimethylphenyl)azadisiliridine (PubChem CID 15632733) has the molecular formula C42H49NSi2 and a molecular weight of 624.03 g/mol. Its IUPAC name is 1-phenyl-2,2,3,3-tetrakis(2,4,6-trimethylphenyl)azadisiliridine.

Molecular Properties

Compound Name1-phenyl-2,2,3,3-tetrakis(2,4,6-trimethylphenyl)azadisiliridine
PubChem CID15632733
Molecular FormulaC42H49NSi2
Molecular Weight624.03 g/mol
Exact Mass623.34
IUPAC Name1-phenyl-2,2,3,3-tetrakis(2,4,6-trimethylphenyl)azadisiliridine
SMILESCc1cc(C)c([Si]2(c3c(C)cc(C)cc3C)N(c3ccccc3)[Si]2(c2c(C)cc(C)cc2C)c2c(C)cc(C)cc2C)c(C)c1
InChIInChI=1S/C42H49NSi2/c1-26-18-30(5)39(31(6)19-26)44(40-32(7)20-27(2)21-33(40)8)43(38-16-14-13-15-17-38)45(44,41-34(9)22-28(3)23-35(41)10)42-36(11)24-29(4)25-37(42)12/h13-25H,1-12H3
InChIKeyOIVIMNOYOSTORZ-UHFFFAOYSA-N
XLogP7.81
TPSA3.01 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500624.03
LogP ≤ 57.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1,1,2,2,3,3,4,4-octakis(2,4,6-trimethylphenyl)tetrasiletane
CID 71427220
1-phenyl-2-(2,4,6-trimethylphenyl)pyrrole
CID 102583859
4,6-dimethyl-1-phenylindole;ethane
CID 156724635
5-methyl-1-phenyl-3-(2,4,6-trimethylphenyl)pyrazole
CID 71416942
trimethyl-[phenyl-[1,1,2,2-tetrakis(2,4,6-trimethylphenyl)disiliran-3-ylidene]methyl]silane
CID 13057955
1,4-diphenyl-2,3,5,6-tetrakis[4-(2,4,6-trimethylphenyl)phenyl]benzene
CID 135033708
1-[(3,5-dimethylphenyl)-phenylmethyl]-3,5-dimethylbenzene;ethane
CID 145412167
benzyl-methyl-(2,4,6-trimethylphenyl)phosphane
CID 59775575
3,5-bis(3,5-dimethylphenyl)-4-phenyl-1,2,4-triazole
CID 58609348
(S)-(2-amino-3,5-dimethylphenyl)-phenylmethanol
CID 799505
5,7-dimethyl-3-phenyl-2,4-dihydro-1,3-benzoxazine
CID 86046984
2,8-dimethyl-5-phenyl-10-(2,4,6-trimethylphenyl)benzo[b][1,4]benzazaborinine
CID 20746431

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-2,2,3,3-tetrakis(2,4,6-trimethylphenyl)azadisiliridine?
The IUPAC name of 1-phenyl-2,2,3,3-tetrakis(2,4,6-trimethylphenyl)azadisiliridine (CID 15632733) is 1-phenyl-2,2,3,3-tetrakis(2,4,6-trimethylphenyl)azadisiliridine.
What is the SMILES notation for 1-phenyl-2,2,3,3-tetrakis(2,4,6-trimethylphenyl)azadisiliridine?
The canonical SMILES for 1-phenyl-2,2,3,3-tetrakis(2,4,6-trimethylphenyl)azadisiliridine is Cc1cc(C)c([Si]2(c3c(C)cc(C)cc3C)N(c3ccccc3)[Si]2(c2c(C)cc(C)cc2C)c2c(C)cc(C)cc2C)c(C)c1.
What is the InChIKey of 1-phenyl-2,2,3,3-tetrakis(2,4,6-trimethylphenyl)azadisiliridine?
The InChIKey is OIVIMNOYOSTORZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H49NSi2/c1-26-18-30(5)39(31(6)19-26)44(40-32(7)20-27(2)21-33(40)8)43(38-16-14-13-15-17-38)45(44,41-34(9)22-28(3)23-35(41)10)42-36(11)24-29(4)25-37(42)12/h13-25H,1-12H3.
What are the key properties of 1-phenyl-2,2,3,3-tetrakis(2,4,6-trimethylphenyl)azadisiliridine?
1-phenyl-2,2,3,3-tetrakis(2,4,6-trimethylphenyl)azadisiliridine has a molecular weight of 624.03 g/mol, XLogP of 7.81, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-2,2,3,3-tetrakis(2,4,6-trimethylphenyl)azadisiliridine is sourced from PubChem (CID 15632733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).