1,2-di(carbazol-9-yl)imidazo[2,1-b][1,3]benzoxazole

C33H20N4O — CID 59691074

IUPAC1,2-di(carbazol-9-yl)imidazo[2,1-b][1,3]benzoxazole
SMILESc1ccc2c(c1)oc1nc(-n3c4ccccc4c4ccccc43)c(-n3c4ccccc4c4ccccc43)n12
InChIInChI=1S/C33H20N4O/c1-5-15-25-21(11-1)22-12-2-6-16-26(22)35(25)31-32(37-29-19-9-10-20-30(29)38-33(37)34-31)36-27-17-7-3-13-23(27)24-14-4-8-18-28(24)36/h1-20H
InChIKeyICXHJFBQZUVCNT-UHFFFAOYSA-N
MW488.55 g/mol
LogP8.27
Rot. Bonds2

About 1,2-di(carbazol-9-yl)imidazo[2,1-b][1,3]benzoxazole

1,2-di(carbazol-9-yl)imidazo[2,1-b][1,3]benzoxazole (PubChem CID 59691074) has the molecular formula C33H20N4O and a molecular weight of 488.55 g/mol. Its IUPAC name is 1,2-di(carbazol-9-yl)imidazo[2,1-b][1,3]benzoxazole.

Molecular Properties

Compound Name1,2-di(carbazol-9-yl)imidazo[2,1-b][1,3]benzoxazole
PubChem CID59691074
Molecular FormulaC33H20N4O
Molecular Weight488.55 g/mol
Exact Mass488.16
IUPAC Name1,2-di(carbazol-9-yl)imidazo[2,1-b][1,3]benzoxazole
SMILESc1ccc2c(c1)oc1nc(-n3c4ccccc4c4ccccc43)c(-n3c4ccccc4c4ccccc43)n12
InChIInChI=1S/C33H20N4O/c1-5-15-25-21(11-1)22-12-2-6-16-26(22)35(25)31-32(37-29-19-9-10-20-30(29)38-33(37)34-31)36-27-17-7-3-13-23(27)24-14-4-8-18-28(24)36/h1-20H
InChIKeyICXHJFBQZUVCNT-UHFFFAOYSA-N
XLogP8.27
TPSA40.30 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500488.55
LogP ≤ 58.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1,2-di(carbazol-9-yl)imidazo[2,1-b][1,3]benzoxazole?
The IUPAC name of 1,2-di(carbazol-9-yl)imidazo[2,1-b][1,3]benzoxazole (CID 59691074) is 1,2-di(carbazol-9-yl)imidazo[2,1-b][1,3]benzoxazole.
What is the SMILES notation for 1,2-di(carbazol-9-yl)imidazo[2,1-b][1,3]benzoxazole?
The canonical SMILES for 1,2-di(carbazol-9-yl)imidazo[2,1-b][1,3]benzoxazole is c1ccc2c(c1)oc1nc(-n3c4ccccc4c4ccccc43)c(-n3c4ccccc4c4ccccc43)n12.
What is the InChIKey of 1,2-di(carbazol-9-yl)imidazo[2,1-b][1,3]benzoxazole?
The InChIKey is ICXHJFBQZUVCNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H20N4O/c1-5-15-25-21(11-1)22-12-2-6-16-26(22)35(25)31-32(37-29-19-9-10-20-30(29)38-33(37)34-31)36-27-17-7-3-13-23(27)24-14-4-8-18-28(24)36/h1-20H.
What are the key properties of 1,2-di(carbazol-9-yl)imidazo[2,1-b][1,3]benzoxazole?
1,2-di(carbazol-9-yl)imidazo[2,1-b][1,3]benzoxazole has a molecular weight of 488.55 g/mol, XLogP of 8.27, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-di(carbazol-9-yl)imidazo[2,1-b][1,3]benzoxazole is sourced from PubChem (CID 59691074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).