2-[5-[3-[9-[6-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-3-pyridinyl]carbazol-3-yl]carbazol-9-yl]-2-pyridinyl]-5,5-dimethyl-4H-1,3-oxazole

C44H36N6O2 — CID 135250362

IUPAC2-[5-[3-[9-[6-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-3-pyridinyl]carbazol-3-yl]carbazol-9-yl]-2-pyridinyl]-5,5-dimethyl-4H-1,3-oxazole
SMILESCC1(C)COC(c2ccc(-n3c4ccccc4c4cc(-c5ccc6c(c5)c5ccccc5n6-c5ccc(C6=NCC(C)(C)O6)nc5)ccc43)cn2)=N1
InChIInChI=1S/C44H36N6O2/c1-43(2)26-51-42(48-43)36-18-16-30(24-46-36)50-38-12-8-6-10-32(38)34-22-28(14-20-40(34)50)27-13-19-39-33(21-27)31-9-5-7-11-37(31)49(39)29-15-17-35(45-23-29)41-47-25-44(3,4)52-41/h5-24H,25-26H2,1-4H3
InChIKeyKEZWPFVPBQXCOT-UHFFFAOYSA-N
MW680.81 g/mol
LogP9.45
Rot. Bonds5

About 2-[5-[3-[9-[6-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-3-pyridinyl]carbazol-3-yl]carbazol-9-yl]-2-pyridinyl]-5,5-dimethyl-4H-1,3-oxazole

2-[5-[3-[9-[6-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-3-pyridinyl]carbazol-3-yl]carbazol-9-yl]-2-pyridinyl]-5,5-dimethyl-4H-1,3-oxazole (PubChem CID 135250362) has the molecular formula C44H36N6O2 and a molecular weight of 680.81 g/mol. Its IUPAC name is 2-[5-[3-[9-[6-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-3-pyridinyl]carbazol-3-yl]carbazol-9-yl]-2-pyridinyl]-5,5-dimethyl-4H-1,3-oxazole.

Molecular Properties

Compound Name2-[5-[3-[9-[6-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-3-pyridinyl]carbazol-3-yl]carbazol-9-yl]-2-pyridinyl]-5,5-dimethyl-4H-1,3-oxazole
PubChem CID135250362
Molecular FormulaC44H36N6O2
Molecular Weight680.81 g/mol
Exact Mass680.29
IUPAC Name2-[5-[3-[9-[6-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-3-pyridinyl]carbazol-3-yl]carbazol-9-yl]-2-pyridinyl]-5,5-dimethyl-4H-1,3-oxazole
SMILESCC1(C)COC(c2ccc(-n3c4ccccc4c4cc(-c5ccc6c(c5)c5ccccc5n6-c5ccc(C6=NCC(C)(C)O6)nc5)ccc43)cn2)=N1
InChIInChI=1S/C44H36N6O2/c1-43(2)26-51-42(48-43)36-18-16-30(24-46-36)50-38-12-8-6-10-32(38)34-22-28(14-20-40(34)50)27-13-19-39-33(21-27)31-9-5-7-11-37(31)49(39)29-15-17-35(45-23-29)41-47-25-44(3,4)52-41/h5-24H,25-26H2,1-4H3
InChIKeyKEZWPFVPBQXCOT-UHFFFAOYSA-N
XLogP9.45
TPSA78.82 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500680.81
LogP ≤ 59.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 2-[5-[3-[9-[6-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-3-pyridinyl]carbazol-3-yl]carbazol-9-yl]-2-pyridinyl]-5,5-dimethyl-4H-1,3-oxazole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[5-[3-[9-[6-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-3-pyridinyl]carbazol-3-yl]carbazol-9-yl]-2-pyridinyl]-5,5-dimethyl-4H-1,3-oxazole?
The IUPAC name of 2-[5-[3-[9-[6-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-3-pyridinyl]carbazol-3-yl]carbazol-9-yl]-2-pyridinyl]-5,5-dimethyl-4H-1,3-oxazole (CID 135250362) is 2-[5-[3-[9-[6-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-3-pyridinyl]carbazol-3-yl]carbazol-9-yl]-2-pyridinyl]-5,5-dimethyl-4H-1,3-oxazole.
What is the SMILES notation for 2-[5-[3-[9-[6-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-3-pyridinyl]carbazol-3-yl]carbazol-9-yl]-2-pyridinyl]-5,5-dimethyl-4H-1,3-oxazole?
The canonical SMILES for 2-[5-[3-[9-[6-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-3-pyridinyl]carbazol-3-yl]carbazol-9-yl]-2-pyridinyl]-5,5-dimethyl-4H-1,3-oxazole is CC1(C)COC(c2ccc(-n3c4ccccc4c4cc(-c5ccc6c(c5)c5ccccc5n6-c5ccc(C6=NCC(C)(C)O6)nc5)ccc43)cn2)=N1.
What is the InChIKey of 2-[5-[3-[9-[6-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-3-pyridinyl]carbazol-3-yl]carbazol-9-yl]-2-pyridinyl]-5,5-dimethyl-4H-1,3-oxazole?
The InChIKey is KEZWPFVPBQXCOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H36N6O2/c1-43(2)26-51-42(48-43)36-18-16-30(24-46-36)50-38-12-8-6-10-32(38)34-22-28(14-20-40(34)50)27-13-19-39-33(21-27)31-9-5-7-11-37(31)49(39)29-15-17-35(45-23-29)41-47-25-44(3,4)52-41/h5-24H,25-26H2,1-4H3.
What are the key properties of 2-[5-[3-[9-[6-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-3-pyridinyl]carbazol-3-yl]carbazol-9-yl]-2-pyridinyl]-5,5-dimethyl-4H-1,3-oxazole?
2-[5-[3-[9-[6-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-3-pyridinyl]carbazol-3-yl]carbazol-9-yl]-2-pyridinyl]-5,5-dimethyl-4H-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-[6-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-3-pyridinyl]carbazol-3-yl]carbazol-9-yl]-2-pyridinyl]-5,5-dimethyl-4H-1,3-oxazole is sourced from PubChem (CID 135250362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).