8,11,11-trimethyl-5-(4-methylphenyl)-[1]benzosilolo[3,2-b]carbazole

C28H25NSi — CID 123546137

IUPAC8,11,11-trimethyl-5-(4-methylphenyl)-[1]benzosilolo[3,2-b]carbazole
SMILESCc1ccc(-n2c3ccccc3c3cc4c(cc32)-c2cc(C)ccc2[Si]4(C)C)cc1
InChIInChI=1S/C28H25NSi/c1-18-9-12-20(13-10-18)29-25-8-6-5-7-21(25)22-17-28-24(16-26(22)29)23-15-19(2)11-14-27(23)30(28,3)4/h5-17H,1-4H3
InChIKeyKKIFAALGJFFRNJ-UHFFFAOYSA-N
MW403.60 g/mol
LogP6.20
Rot. Bonds1

About 8,11,11-trimethyl-5-(4-methylphenyl)-[1]benzosilolo[3,2-b]carbazole

8,11,11-trimethyl-5-(4-methylphenyl)-[1]benzosilolo[3,2-b]carbazole (PubChem CID 123546137) has the molecular formula C28H25NSi and a molecular weight of 403.60 g/mol. Its IUPAC name is 8,11,11-trimethyl-5-(4-methylphenyl)-[1]benzosilolo[3,2-b]carbazole.

Molecular Properties

Compound Name8,11,11-trimethyl-5-(4-methylphenyl)-[1]benzosilolo[3,2-b]carbazole
PubChem CID123546137
Molecular FormulaC28H25NSi
Molecular Weight403.60 g/mol
Exact Mass403.18
IUPAC Name8,11,11-trimethyl-5-(4-methylphenyl)-[1]benzosilolo[3,2-b]carbazole
SMILESCc1ccc(-n2c3ccccc3c3cc4c(cc32)-c2cc(C)ccc2[Si]4(C)C)cc1
InChIInChI=1S/C28H25NSi/c1-18-9-12-20(13-10-18)29-25-8-6-5-7-21(25)22-17-28-24(16-26(22)29)23-15-19(2)11-14-27(23)30(28,3)4/h5-17H,1-4H3
InChIKeyKKIFAALGJFFRNJ-UHFFFAOYSA-N
XLogP6.20
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500403.60
LogP ≤ 56.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

7,7-dimethyl-5-(9-phenylcarbazol-2-yl)-[1]benzosilolo[2,3-b]carbazole
CID 123876607
2-methyl-7-(4-methylphenyl)-5-phenylindolo[2,3-b]carbazole
CID 71140488
3-methyl-9-(4-methylphenyl)-6-[9-(4-methylphenyl)-6-[9-(4-methylphenyl)carbazol-3-yl]carbazol-3-yl]carbazole
CID 70866701
2-methyl-9-phenylcarbazole
CID 59552741
7-(4-methylphenyl)-5-[4-(11-phenylindolo[2,3-a]carbazol-12-yl)phenyl]indolo[2,3-b]carbazole
CID 118504699
9-(4-fluorophenyl)-2-methylcarbazole
CID 148964710
2-methyl-9-phenylcarbazole;3-methyl-9-phenylcarbazole
CID 159508303
9-[4-[2-(4-carbazol-9-ylphenyl)ethynyl]phenyl]-2,7-dimethylcarbazole
CID 58771348
2-[9-(4-methylphenyl)carbazol-3-yl]-9-phenylcarbazole
CID 135248578
3-carbazol-9-yl-6-methyl-9-phenylcarbazole;2-(3-methylcarbazol-9-yl)-9-phenylcarbazole
CID 158584509
2-[9-(4-methylphenyl)carbazol-2-yl]phenol
CID 118682159
3-[9-[4-(4-carbazol-9-yl-2-methylphenyl)-3-methylphenyl]-2-methylcarbazol-3-yl]-2-methyl-9-[3-methyl-4-[2-methyl-4-(2-methylcarbazol-9-yl)phenyl]phenyl]carbazole
CID 23397785

Frequently Asked Questions

What is the IUPAC name of 8,11,11-trimethyl-5-(4-methylphenyl)-[1]benzosilolo[3,2-b]carbazole?
The IUPAC name of 8,11,11-trimethyl-5-(4-methylphenyl)-[1]benzosilolo[3,2-b]carbazole (CID 123546137) is 8,11,11-trimethyl-5-(4-methylphenyl)-[1]benzosilolo[3,2-b]carbazole.
What is the SMILES notation for 8,11,11-trimethyl-5-(4-methylphenyl)-[1]benzosilolo[3,2-b]carbazole?
The canonical SMILES for 8,11,11-trimethyl-5-(4-methylphenyl)-[1]benzosilolo[3,2-b]carbazole is Cc1ccc(-n2c3ccccc3c3cc4c(cc32)-c2cc(C)ccc2[Si]4(C)C)cc1.
What is the InChIKey of 8,11,11-trimethyl-5-(4-methylphenyl)-[1]benzosilolo[3,2-b]carbazole?
The InChIKey is KKIFAALGJFFRNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H25NSi/c1-18-9-12-20(13-10-18)29-25-8-6-5-7-21(25)22-17-28-24(16-26(22)29)23-15-19(2)11-14-27(23)30(28,3)4/h5-17H,1-4H3.
What are the key properties of 8,11,11-trimethyl-5-(4-methylphenyl)-[1]benzosilolo[3,2-b]carbazole?
8,11,11-trimethyl-5-(4-methylphenyl)-[1]benzosilolo[3,2-b]carbazole has a molecular weight of 403.60 g/mol, XLogP of 6.20, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 8,11,11-trimethyl-5-(4-methylphenyl)-[1]benzosilolo[3,2-b]carbazole is sourced from PubChem (CID 123546137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).