2-[5-[3-[9-[5-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-3-pyridinyl]carbazol-3-yl]carbazol-9-yl]-3-pyridinyl]-4,4-dimethyl-5H-1,3-oxazole

C44H36N6O2 — CID 135250365

About 2-[5-[3-[9-[5-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-3-pyridinyl]carbazol-3-yl]carbazol-9-yl]-3-pyridinyl]-4,4-dimethyl-5H-1,3-oxazole

2-[5-[3-[9-[5-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-3-pyridinyl]carbazol-3-yl]carbazol-9-yl]-3-pyridinyl]-4,4-dimethyl-5H-1,3-oxazole (PubChem CID 135250365) has the molecular formula C44H36N6O2 and a molecular weight of 680.81 g/mol. Its IUPAC name is 2-[5-[3-[9-[5-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-3-pyridinyl]carbazol-3-yl]carbazol-9-yl]-3-pyridinyl]-4,4-dimethyl-5H-1,3-oxazole.

Molecular Properties

• Compound Name: 2-[5-[3-[9-[5-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-3-pyridinyl]carbazol-3-yl]carbazol-9-yl]-3-pyridinyl]-4,4-dimethyl-5H-1,3-oxazole
• PubChem CID: 135250365
• Molecular Formula: C44H36N6O2
• Molecular Weight: 680.81 g/mol
• Exact Mass: 680.29
• IUPAC Name: 2-[5-[3-[9-[5-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-3-pyridinyl]carbazol-3-yl]carbazol-9-yl]-3-pyridinyl]-4,4-dimethyl-5H-1,3-oxazole
• SMILES: CC1(C)COC(c2cncc(-n3c4ccccc4c4cc(-c5ccc6c(c5)c5ccccc5n6-c5cncc(C6=NC(C)(C)CO6)c5)ccc43)c2)=N1
• InChI: InChI=1S/C44H36N6O2/c1-43(2)25-51-41(47-43)29-17-31(23-45-21-29)49-37-11-7-5-9-33(37)35-19-27(13-15-39(35)49)28-14-16-40-36(20-28)34-10-6-8-12-38(34)50(40)32-18-30(22-46-24-32)42-48-44(3,4)26-52-42/h5-24H,25-26H2,1-4H3
• InChIKey: UKZCGKIXWXPTRF-UHFFFAOYSA-N
• XLogP: 9.45
• TPSA: 78.82 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 5
• Heavy Atoms: 52
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	680.81
LogP ≤ 5	9.45
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 2-[5-[3-[9-[5-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-3-pyridinyl]carbazol-3-yl]carbazol-9-yl]-3-pyridinyl]-4,4-dimethyl-5H-1,3-oxazole?

The IUPAC name of 2-[5-[3-[9-[5-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-3-pyridinyl]carbazol-3-yl]carbazol-9-yl]-3-pyridinyl]-4,4-dimethyl-5H-1,3-oxazole (CID 135250365) is 2-[5-[3-[9-[5-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-3-pyridinyl]carbazol-3-yl]carbazol-9-yl]-3-pyridinyl]-4,4-dimethyl-5H-1,3-oxazole.

What is the SMILES notation for 2-[5-[3-[9-[5-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-3-pyridinyl]carbazol-3-yl]carbazol-9-yl]-3-pyridinyl]-4,4-dimethyl-5H-1,3-oxazole?

The canonical SMILES for 2-[5-[3-[9-[5-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-3-pyridinyl]carbazol-3-yl]carbazol-9-yl]-3-pyridinyl]-4,4-dimethyl-5H-1,3-oxazole is CC1(C)COC(c2cncc(-n3c4ccccc4c4cc(-c5ccc6c(c5)c5ccccc5n6-c5cncc(C6=NC(C)(C)CO6)c5)ccc43)c2)=N1.

What is the InChIKey of 2-[5-[3-[9-[5-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-3-pyridinyl]carbazol-3-yl]carbazol-9-yl]-3-pyridinyl]-4,4-dimethyl-5H-1,3-oxazole?

The InChIKey is UKZCGKIXWXPTRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H36N6O2/c1-43(2)25-51-41(47-43)29-17-31(23-45-21-29)49-37-11-7-5-9-33(37)35-19-27(13-15-39(35)49)28-14-16-40-36(20-28)34-10-6-8-12-38(34)50(40)32-18-30(22-46-24-32)42-48-44(3,4)26-52-42/h5-24H,25-26H2,1-4H3.

What are the key properties of 2-[5-[3-[9-[5-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-3-pyridinyl]carbazol-3-yl]carbazol-9-yl]-3-pyridinyl]-4,4-dimethyl-5H-1,3-oxazole?

2-[5-[3-[9-[5-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-3-pyridinyl]carbazol-3-yl]carbazol-9-yl]-3-pyridinyl]-4,4-dimethyl-5H-1,3-oxazole has a molecular weight of 680.81 g/mol, XLogP of 9.45, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[5-[3-[9-[5-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-3-pyridinyl]carbazol-3-yl]carbazol-9-yl]-3-pyridinyl]-4,4-dimethyl-5H-1,3-oxazole is sourced from PubChem (CID 135250365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).