9-(4-tert-butyl-2-pyridinyl)-2-[3-(1-dibenzofuran-2-yl-2H-imidazo[4,5-c]pyridin-3-yl)phenoxy]carbazole

C45H35N5O2 — CID 176782820

About 9-(4-tert-butyl-2-pyridinyl)-2-[3-(1-dibenzofuran-2-yl-2H-imidazo[4,5-c]pyridin-3-yl)phenoxy]carbazole

9-(4-tert-butyl-2-pyridinyl)-2-[3-(1-dibenzofuran-2-yl-2H-imidazo[4,5-c]pyridin-3-yl)phenoxy]carbazole (PubChem CID 176782820) has the molecular formula C45H35N5O2 and a molecular weight of 677.81 g/mol. Its IUPAC name is 9-(4-tert-butyl-2-pyridinyl)-2-[3-(1-dibenzofuran-2-yl-2H-imidazo[4,5-c]pyridin-3-yl)phenoxy]carbazole.

Molecular Properties

• Compound Name: 9-(4-tert-butyl-2-pyridinyl)-2-[3-(1-dibenzofuran-2-yl-2H-imidazo[4,5-c]pyridin-3-yl)phenoxy]carbazole
• PubChem CID: 176782820
• Molecular Formula: C45H35N5O2
• Molecular Weight: 677.81 g/mol
• Exact Mass: 677.28
• IUPAC Name: 9-(4-tert-butyl-2-pyridinyl)-2-[3-(1-dibenzofuran-2-yl-2H-imidazo[4,5-c]pyridin-3-yl)phenoxy]carbazole
• SMILES: CC(C)(C)c1ccnc(-n2c3ccccc3c3ccc(Oc4cccc(N5CN(c6ccc7oc8ccccc8c7c6)c6ccncc65)c4)cc32)c1
• InChI: InChI=1S/C45H35N5O2/c1-45(2,3)29-19-22-47-44(23-29)50-38-13-6-4-11-34(38)35-17-16-33(26-40(35)50)51-32-10-8-9-30(24-32)49-28-48(39-20-21-46-27-41(39)49)31-15-18-43-37(25-31)36-12-5-7-14-42(36)52-43/h4-27H,28H2,1-3H3
• InChIKey: LLSVAKUDTKSHTI-UHFFFAOYSA-N
• XLogP: 11.81
• TPSA: 59.56 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 52
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	677.81
LogP ≤ 5	11.81
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 9-(4-tert-butyl-2-pyridinyl)-2-[3-(1-dibenzofuran-2-yl-2H-imidazo[4,5-c]pyridin-3-yl)phenoxy]carbazole?

The IUPAC name of 9-(4-tert-butyl-2-pyridinyl)-2-[3-(1-dibenzofuran-2-yl-2H-imidazo[4,5-c]pyridin-3-yl)phenoxy]carbazole (CID 176782820) is 9-(4-tert-butyl-2-pyridinyl)-2-[3-(1-dibenzofuran-2-yl-2H-imidazo[4,5-c]pyridin-3-yl)phenoxy]carbazole.

What is the SMILES notation for 9-(4-tert-butyl-2-pyridinyl)-2-[3-(1-dibenzofuran-2-yl-2H-imidazo[4,5-c]pyridin-3-yl)phenoxy]carbazole?

The canonical SMILES for 9-(4-tert-butyl-2-pyridinyl)-2-[3-(1-dibenzofuran-2-yl-2H-imidazo[4,5-c]pyridin-3-yl)phenoxy]carbazole is CC(C)(C)c1ccnc(-n2c3ccccc3c3ccc(Oc4cccc(N5CN(c6ccc7oc8ccccc8c7c6)c6ccncc65)c4)cc32)c1.

What is the InChIKey of 9-(4-tert-butyl-2-pyridinyl)-2-[3-(1-dibenzofuran-2-yl-2H-imidazo[4,5-c]pyridin-3-yl)phenoxy]carbazole?

The InChIKey is LLSVAKUDTKSHTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H35N5O2/c1-45(2,3)29-19-22-47-44(23-29)50-38-13-6-4-11-34(38)35-17-16-33(26-40(35)50)51-32-10-8-9-30(24-32)49-28-48(39-20-21-46-27-41(39)49)31-15-18-43-37(25-31)36-12-5-7-14-42(36)52-43/h4-27H,28H2,1-3H3.

What are the key properties of 9-(4-tert-butyl-2-pyridinyl)-2-[3-(1-dibenzofuran-2-yl-2H-imidazo[4,5-c]pyridin-3-yl)phenoxy]carbazole?

9-(4-tert-butyl-2-pyridinyl)-2-[3-(1-dibenzofuran-2-yl-2H-imidazo[4,5-c]pyridin-3-yl)phenoxy]carbazole has a molecular weight of 677.81 g/mol, XLogP of 11.81, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 9-(4-tert-butyl-2-pyridinyl)-2-[3-(1-dibenzofuran-2-yl-2H-imidazo[4,5-c]pyridin-3-yl)phenoxy]carbazole is sourced from PubChem (CID 176782820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).