8-[9-(4-tert-butyl-2-pyridinyl)carbazol-2-yl]oxy-2,4,4,5,5-pentamethyl-1H-imidazo[1,5-a][1,4]benzazasiline

C36H40N4OSi — CID 155616650

IUPAC8-[9-(4-tert-butyl-2-pyridinyl)carbazol-2-yl]oxy-2,4,4,5,5-pentamethyl-1H-imidazo[1,5-a][1,4]benzazasiline
SMILESCN1C=C2N(C1)c1cc(Oc3ccc4c5ccccc5n(-c5cc(C(C)(C)C)ccn5)c4c3)ccc1[Si](C)(C)C2(C)C
InChIInChI=1S/C36H40N4OSi/c1-35(2,3)24-17-18-37-34(19-24)40-29-12-10-9-11-27(29)28-15-13-25(20-30(28)40)41-26-14-16-32-31(21-26)39-23-38(6)22-33(39)36(4,5)42(32,7)8/h9-22H,23H2,1-8H3
InChIKeyXENHQLNOXGGDKM-UHFFFAOYSA-N
MW572.83 g/mol
LogP8.53
Rot. Bonds3

About 8-[9-(4-tert-butyl-2-pyridinyl)carbazol-2-yl]oxy-2,4,4,5,5-pentamethyl-1H-imidazo[1,5-a][1,4]benzazasiline

8-[9-(4-tert-butyl-2-pyridinyl)carbazol-2-yl]oxy-2,4,4,5,5-pentamethyl-1H-imidazo[1,5-a][1,4]benzazasiline (PubChem CID 155616650) has the molecular formula C36H40N4OSi and a molecular weight of 572.83 g/mol. Its IUPAC name is 8-[9-(4-tert-butyl-2-pyridinyl)carbazol-2-yl]oxy-2,4,4,5,5-pentamethyl-1H-imidazo[1,5-a][1,4]benzazasiline.

Molecular Properties

Compound Name8-[9-(4-tert-butyl-2-pyridinyl)carbazol-2-yl]oxy-2,4,4,5,5-pentamethyl-1H-imidazo[1,5-a][1,4]benzazasiline
PubChem CID155616650
Molecular FormulaC36H40N4OSi
Molecular Weight572.83 g/mol
Exact Mass572.30
IUPAC Name8-[9-(4-tert-butyl-2-pyridinyl)carbazol-2-yl]oxy-2,4,4,5,5-pentamethyl-1H-imidazo[1,5-a][1,4]benzazasiline
SMILESCN1C=C2N(C1)c1cc(Oc3ccc4c5ccccc5n(-c5cc(C(C)(C)C)ccn5)c4c3)ccc1[Si](C)(C)C2(C)C
InChIInChI=1S/C36H40N4OSi/c1-35(2,3)24-17-18-37-34(19-24)40-29-12-10-9-11-27(29)28-15-13-25(20-30(28)40)41-26-14-16-32-31(21-26)39-23-38(6)22-33(39)36(4,5)42(32,7)8/h9-22H,23H2,1-8H3
InChIKeyXENHQLNOXGGDKM-UHFFFAOYSA-N
XLogP8.53
TPSA33.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500572.83
LogP ≤ 58.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4,4,5,5-tetramethyl-2-phenyl-8-(9-pyridin-2-ylcarbazol-2-yl)oxy-1H-imidazo[1,5-a][1,4]benzazasiline
CID 155616688
2-(2,6-diphenylphenyl)-4,4,5,5-tetramethyl-8-(9-pyridin-2-ylcarbazol-2-yl)oxy-1H-imidazo[1,5-a][1,4]benzazasiline
CID 155616628
9-(4-tert-butyl-2-pyridinyl)-2-[3-carbazol-9-yl-5-(3-methyl-2H-benzimidazol-1-yl)phenoxy]carbazole
CID 155622877
2-[9-(4-tert-butyl-2-pyridinyl)carbazol-2-yl]oxy-9-pyridin-2-ylcarbazole
CID 160515375
2-[3-(6-tert-butyl-3-methyl-2H-benzimidazol-1-yl)phenoxy]-9-(4-tert-butyl-2-pyridinyl)carbazole
CID 155606525
2-[3-(1-tert-butyl-2H-imidazo[4,5-c]pyridin-3-yl)phenoxy]-9-(4-tert-butyl-2-pyridinyl)carbazole
CID 176783389
2-[3-tert-butyl-5-[5-tert-butyl-3-(3,5-ditert-butylphenyl)-2H-benzimidazol-1-yl]phenoxy]-9-(4-tert-butyl-2-pyridinyl)carbazole
CID 155652641
2-[3-[1-(4-tert-butyl-2,6-dimethylphenyl)-2H-imidazo[4,5-c]pyridin-3-yl]phenoxy]-9-(4-tert-butyl-2-pyridinyl)carbazole
CID 176782231
11-[3-[3-[9-(4-tert-butyl-2-pyridinyl)carbazol-2-yl]oxyphenyl]-2H-benzimidazol-1-yl]-8,8,14,14-tetramethyl-1-aza-8,14-disilapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene
CID 169294376
9-(4-tert-butyl-2-pyridinyl)-2-[3-[3-(dideuteriomethyl)-2H-benzimidazol-1-yl]phenoxy]carbazole
CID 176635688
2-[3-[3-(3-tert-butylphenyl)-2H-benzimidazol-1-yl]phenoxy]-9-[4-(1,1,1,3,3,3-hexadeuterio-2-methylpropan-2-yl)-2-pyridinyl]carbazole
CID 159074989
2-[3-tert-butyl-5-[3-(3-tert-butylphenyl)-5,6-dimethyl-2H-benzimidazol-1-yl]phenoxy]-9-(4-tert-butyl-2-pyridinyl)carbazole
CID 155651087

Frequently Asked Questions

What is the IUPAC name of 8-[9-(4-tert-butyl-2-pyridinyl)carbazol-2-yl]oxy-2,4,4,5,5-pentamethyl-1H-imidazo[1,5-a][1,4]benzazasiline?
The IUPAC name of 8-[9-(4-tert-butyl-2-pyridinyl)carbazol-2-yl]oxy-2,4,4,5,5-pentamethyl-1H-imidazo[1,5-a][1,4]benzazasiline (CID 155616650) is 8-[9-(4-tert-butyl-2-pyridinyl)carbazol-2-yl]oxy-2,4,4,5,5-pentamethyl-1H-imidazo[1,5-a][1,4]benzazasiline.
What is the SMILES notation for 8-[9-(4-tert-butyl-2-pyridinyl)carbazol-2-yl]oxy-2,4,4,5,5-pentamethyl-1H-imidazo[1,5-a][1,4]benzazasiline?
The canonical SMILES for 8-[9-(4-tert-butyl-2-pyridinyl)carbazol-2-yl]oxy-2,4,4,5,5-pentamethyl-1H-imidazo[1,5-a][1,4]benzazasiline is CN1C=C2N(C1)c1cc(Oc3ccc4c5ccccc5n(-c5cc(C(C)(C)C)ccn5)c4c3)ccc1[Si](C)(C)C2(C)C.
What is the InChIKey of 8-[9-(4-tert-butyl-2-pyridinyl)carbazol-2-yl]oxy-2,4,4,5,5-pentamethyl-1H-imidazo[1,5-a][1,4]benzazasiline?
The InChIKey is XENHQLNOXGGDKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H40N4OSi/c1-35(2,3)24-17-18-37-34(19-24)40-29-12-10-9-11-27(29)28-15-13-25(20-30(28)40)41-26-14-16-32-31(21-26)39-23-38(6)22-33(39)36(4,5)42(32,7)8/h9-22H,23H2,1-8H3.
What are the key properties of 8-[9-(4-tert-butyl-2-pyridinyl)carbazol-2-yl]oxy-2,4,4,5,5-pentamethyl-1H-imidazo[1,5-a][1,4]benzazasiline?
8-[9-(4-tert-butyl-2-pyridinyl)carbazol-2-yl]oxy-2,4,4,5,5-pentamethyl-1H-imidazo[1,5-a][1,4]benzazasiline has a molecular weight of 572.83 g/mol, XLogP of 8.53, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[9-(4-tert-butyl-2-pyridinyl)carbazol-2-yl]oxy-2,4,4,5,5-pentamethyl-1H-imidazo[1,5-a][1,4]benzazasiline is sourced from PubChem (CID 155616650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).