2-[3-(benzimidazol-1-yl)phenoxy]-9-(4-tert-butyl-2-pyridinyl)carbazole;1-(3-bromophenyl)benzimidazole;9-(4-tert-butyl-2-pyridinyl)carbazol-2-ol

C68H57BrN8O2 — CID 157279375

About 2-[3-(benzimidazol-1-yl)phenoxy]-9-(4-tert-butyl-2-pyridinyl)carbazole;1-(3-bromophenyl)benzimidazole;9-(4-tert-butyl-2-pyridinyl)carbazol-2-ol

2-[3-(benzimidazol-1-yl)phenoxy]-9-(4-tert-butyl-2-pyridinyl)carbazole;1-(3-bromophenyl)benzimidazole;9-(4-tert-butyl-2-pyridinyl)carbazol-2-ol (PubChem CID 157279375) has the molecular formula C68H57BrN8O2 and a molecular weight of 1098.16 g/mol. Its IUPAC name is 2-[3-(benzimidazol-1-yl)phenoxy]-9-(4-tert-butyl-2-pyridinyl)carbazole;1-(3-bromophenyl)benzimidazole;9-(4-tert-butyl-2-pyridinyl)carbazol-2-ol.

Molecular Properties

• Compound Name: 2-[3-(benzimidazol-1-yl)phenoxy]-9-(4-tert-butyl-2-pyridinyl)carbazole;1-(3-bromophenyl)benzimidazole;9-(4-tert-butyl-2-pyridinyl)carbazol-2-ol
• PubChem CID: 157279375
• Molecular Formula: C68H57BrN8O2
• Molecular Weight: 1098.16 g/mol
• Exact Mass: 1096.38
• IUPAC Name: 2-[3-(benzimidazol-1-yl)phenoxy]-9-(4-tert-butyl-2-pyridinyl)carbazole;1-(3-bromophenyl)benzimidazole;9-(4-tert-butyl-2-pyridinyl)carbazol-2-ol
• SMILES: Brc1cccc(-n2cnc3ccccc32)c1.CC(C)(C)c1ccnc(-n2c3ccccc3c3ccc(O)cc32)c1.CC(C)(C)c1ccnc(-n2c3ccccc3c3ccc(Oc4cccc(-n5cnc6ccccc65)c4)cc32)c1
• InChI: InChI=1S/C34H28N4O.C21H20N2O.C13H9BrN2/c1-34(2,3)23-17-18-35-33(19-23)38-30-13-6-4-11-27(30)28-16-15-26(21-32(28)38)39-25-10-8-9-24(20-25)37-22-36-29-12-5-7-14-31(29)37;1-21(2,3)14-10-11-22-20(12-14)23-18-7-5-4-6-16(18)17-9-8-15(24)13-19(17)23;14-10-4-3-5-11(8-10)16-9-15-12-6-1-2-7-13(12)16/h4-22H,1-3H3;4-13,24H,1-3H3;1-9H
• InChIKey: AZMDCJMWUOBJLK-UHFFFAOYSA-N
• XLogP: 17.58
• TPSA: 100.74 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 10
• Rotatable Bonds: 6
• Heavy Atoms: 79
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1098.16
LogP ≤ 5	17.58
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of 2-[3-(benzimidazol-1-yl)phenoxy]-9-(4-tert-butyl-2-pyridinyl)carbazole;1-(3-bromophenyl)benzimidazole;9-(4-tert-butyl-2-pyridinyl)carbazol-2-ol?

The IUPAC name of 2-[3-(benzimidazol-1-yl)phenoxy]-9-(4-tert-butyl-2-pyridinyl)carbazole;1-(3-bromophenyl)benzimidazole;9-(4-tert-butyl-2-pyridinyl)carbazol-2-ol (CID 157279375) is 2-[3-(benzimidazol-1-yl)phenoxy]-9-(4-tert-butyl-2-pyridinyl)carbazole;1-(3-bromophenyl)benzimidazole;9-(4-tert-butyl-2-pyridinyl)carbazol-2-ol.

What is the SMILES notation for 2-[3-(benzimidazol-1-yl)phenoxy]-9-(4-tert-butyl-2-pyridinyl)carbazole;1-(3-bromophenyl)benzimidazole;9-(4-tert-butyl-2-pyridinyl)carbazol-2-ol?

The canonical SMILES for 2-[3-(benzimidazol-1-yl)phenoxy]-9-(4-tert-butyl-2-pyridinyl)carbazole;1-(3-bromophenyl)benzimidazole;9-(4-tert-butyl-2-pyridinyl)carbazol-2-ol is Brc1cccc(-n2cnc3ccccc32)c1.CC(C)(C)c1ccnc(-n2c3ccccc3c3ccc(O)cc32)c1.CC(C)(C)c1ccnc(-n2c3ccccc3c3ccc(Oc4cccc(-n5cnc6ccccc65)c4)cc32)c1.

What is the InChIKey of 2-[3-(benzimidazol-1-yl)phenoxy]-9-(4-tert-butyl-2-pyridinyl)carbazole;1-(3-bromophenyl)benzimidazole;9-(4-tert-butyl-2-pyridinyl)carbazol-2-ol?

The InChIKey is AZMDCJMWUOBJLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H28N4O.C21H20N2O.C13H9BrN2/c1-34(2,3)23-17-18-35-33(19-23)38-30-13-6-4-11-27(30)28-16-15-26(21-32(28)38)39-25-10-8-9-24(20-25)37-22-36-29-12-5-7-14-31(29)37;1-21(2,3)14-10-11-22-20(12-14)23-18-7-5-4-6-16(18)17-9-8-15(24)13-19(17)23;14-10-4-3-5-11(8-10)16-9-15-12-6-1-2-7-13(12)16/h4-22H,1-3H3;4-13,24H,1-3H3;1-9H.

What are the key properties of 2-[3-(benzimidazol-1-yl)phenoxy]-9-(4-tert-butyl-2-pyridinyl)carbazole;1-(3-bromophenyl)benzimidazole;9-(4-tert-butyl-2-pyridinyl)carbazol-2-ol?

2-[3-(benzimidazol-1-yl)phenoxy]-9-(4-tert-butyl-2-pyridinyl)carbazole;1-(3-bromophenyl)benzimidazole;9-(4-tert-butyl-2-pyridinyl)carbazol-2-ol has a molecular weight of 1098.16 g/mol, XLogP of 17.58, 6 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3-(benzimidazol-1-yl)phenoxy]-9-(4-tert-butyl-2-pyridinyl)carbazole;1-(3-bromophenyl)benzimidazole;9-(4-tert-butyl-2-pyridinyl)carbazol-2-ol is sourced from PubChem (CID 157279375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).