2-carbazol-9-yl-N,N-diphenylimidazo[2,1-b][1,3]benzoxazol-1-amine

C33H22N4O — CID 59691176

IUPAC2-carbazol-9-yl-N,N-diphenylimidazo[2,1-b][1,3]benzoxazol-1-amine
SMILESc1ccc(N(c2ccccc2)c2c(-n3c4ccccc4c4ccccc43)nc3oc4ccccc4n23)cc1
InChIInChI=1S/C33H22N4O/c1-3-13-23(14-4-1)35(24-15-5-2-6-16-24)32-31(34-33-37(32)29-21-11-12-22-30(29)38-33)36-27-19-9-7-17-25(27)26-18-8-10-20-28(26)36/h1-22H
InChIKeyQTHUGOWUVBCQOA-UHFFFAOYSA-N
MW490.57 g/mol
LogP8.65
Rot. Bonds4

About 2-carbazol-9-yl-N,N-diphenylimidazo[2,1-b][1,3]benzoxazol-1-amine

2-carbazol-9-yl-N,N-diphenylimidazo[2,1-b][1,3]benzoxazol-1-amine (PubChem CID 59691176) has the molecular formula C33H22N4O and a molecular weight of 490.57 g/mol. Its IUPAC name is 2-carbazol-9-yl-N,N-diphenylimidazo[2,1-b][1,3]benzoxazol-1-amine.

Molecular Properties

Compound Name2-carbazol-9-yl-N,N-diphenylimidazo[2,1-b][1,3]benzoxazol-1-amine
PubChem CID59691176
Molecular FormulaC33H22N4O
Molecular Weight490.57 g/mol
Exact Mass490.18
IUPAC Name2-carbazol-9-yl-N,N-diphenylimidazo[2,1-b][1,3]benzoxazol-1-amine
SMILESc1ccc(N(c2ccccc2)c2c(-n3c4ccccc4c4ccccc43)nc3oc4ccccc4n23)cc1
InChIInChI=1S/C33H22N4O/c1-3-13-23(14-4-1)35(24-15-5-2-6-16-24)32-31(34-33-37(32)29-21-11-12-22-30(29)38-33)36-27-19-9-7-17-25(27)26-18-8-10-20-28(26)36/h1-22H
InChIKeyQTHUGOWUVBCQOA-UHFFFAOYSA-N
XLogP8.65
TPSA38.61 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500490.57
LogP ≤ 58.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-carbazol-9-yl-N,N-diphenylimidazo[2,1-b][1,3]benzoxazol-1-amine?
The IUPAC name of 2-carbazol-9-yl-N,N-diphenylimidazo[2,1-b][1,3]benzoxazol-1-amine (CID 59691176) is 2-carbazol-9-yl-N,N-diphenylimidazo[2,1-b][1,3]benzoxazol-1-amine.
What is the SMILES notation for 2-carbazol-9-yl-N,N-diphenylimidazo[2,1-b][1,3]benzoxazol-1-amine?
The canonical SMILES for 2-carbazol-9-yl-N,N-diphenylimidazo[2,1-b][1,3]benzoxazol-1-amine is c1ccc(N(c2ccccc2)c2c(-n3c4ccccc4c4ccccc43)nc3oc4ccccc4n23)cc1.
What is the InChIKey of 2-carbazol-9-yl-N,N-diphenylimidazo[2,1-b][1,3]benzoxazol-1-amine?
The InChIKey is QTHUGOWUVBCQOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H22N4O/c1-3-13-23(14-4-1)35(24-15-5-2-6-16-24)32-31(34-33-37(32)29-21-11-12-22-30(29)38-33)36-27-19-9-7-17-25(27)26-18-8-10-20-28(26)36/h1-22H.
What are the key properties of 2-carbazol-9-yl-N,N-diphenylimidazo[2,1-b][1,3]benzoxazol-1-amine?
2-carbazol-9-yl-N,N-diphenylimidazo[2,1-b][1,3]benzoxazol-1-amine has a molecular weight of 490.57 g/mol, XLogP of 8.65, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-carbazol-9-yl-N,N-diphenylimidazo[2,1-b][1,3]benzoxazol-1-amine is sourced from PubChem (CID 59691176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).