4-(5-carbazol-9-ylimidazo[2,1-b][1,3]oxazol-6-yl)-N,N-diphenylaniline

C35H24N4O — CID 59691106

IUPAC4-(5-carbazol-9-ylimidazo[2,1-b][1,3]oxazol-6-yl)-N,N-diphenylaniline
SMILESc1ccc(N(c2ccccc2)c2ccc(-c3nc4occn4c3-n3c4ccccc4c4ccccc43)cc2)cc1
InChIInChI=1S/C35H24N4O/c1-3-11-26(12-4-1)38(27-13-5-2-6-14-27)28-21-19-25(20-22-28)33-34(37-23-24-40-35(37)36-33)39-31-17-9-7-15-29(31)30-16-8-10-18-32(30)39/h1-24H
InChIKeyYRCJDGDSGVQCPC-UHFFFAOYSA-N
MW516.60 g/mol
LogP9.16
Rot. Bonds5

About 4-(5-carbazol-9-ylimidazo[2,1-b][1,3]oxazol-6-yl)-N,N-diphenylaniline

4-(5-carbazol-9-ylimidazo[2,1-b][1,3]oxazol-6-yl)-N,N-diphenylaniline (PubChem CID 59691106) has the molecular formula C35H24N4O and a molecular weight of 516.60 g/mol. Its IUPAC name is 4-(5-carbazol-9-ylimidazo[2,1-b][1,3]oxazol-6-yl)-N,N-diphenylaniline.

Molecular Properties

Compound Name4-(5-carbazol-9-ylimidazo[2,1-b][1,3]oxazol-6-yl)-N,N-diphenylaniline
PubChem CID59691106
Molecular FormulaC35H24N4O
Molecular Weight516.60 g/mol
Exact Mass516.20
IUPAC Name4-(5-carbazol-9-ylimidazo[2,1-b][1,3]oxazol-6-yl)-N,N-diphenylaniline
SMILESc1ccc(N(c2ccccc2)c2ccc(-c3nc4occn4c3-n3c4ccccc4c4ccccc43)cc2)cc1
InChIInChI=1S/C35H24N4O/c1-3-11-26(12-4-1)38(27-13-5-2-6-14-27)28-21-19-25(20-22-28)33-34(37-23-24-40-35(37)36-33)39-31-17-9-7-15-29(31)30-16-8-10-18-32(30)39/h1-24H
InChIKeyYRCJDGDSGVQCPC-UHFFFAOYSA-N
XLogP9.16
TPSA38.61 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500516.60
LogP ≤ 59.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(5-carbazol-9-ylimidazo[2,1-b][1,3]oxazol-6-yl)-N,N-diphenylaniline?
The IUPAC name of 4-(5-carbazol-9-ylimidazo[2,1-b][1,3]oxazol-6-yl)-N,N-diphenylaniline (CID 59691106) is 4-(5-carbazol-9-ylimidazo[2,1-b][1,3]oxazol-6-yl)-N,N-diphenylaniline.
What is the SMILES notation for 4-(5-carbazol-9-ylimidazo[2,1-b][1,3]oxazol-6-yl)-N,N-diphenylaniline?
The canonical SMILES for 4-(5-carbazol-9-ylimidazo[2,1-b][1,3]oxazol-6-yl)-N,N-diphenylaniline is c1ccc(N(c2ccccc2)c2ccc(-c3nc4occn4c3-n3c4ccccc4c4ccccc43)cc2)cc1.
What is the InChIKey of 4-(5-carbazol-9-ylimidazo[2,1-b][1,3]oxazol-6-yl)-N,N-diphenylaniline?
The InChIKey is YRCJDGDSGVQCPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H24N4O/c1-3-11-26(12-4-1)38(27-13-5-2-6-14-27)28-21-19-25(20-22-28)33-34(37-23-24-40-35(37)36-33)39-31-17-9-7-15-29(31)30-16-8-10-18-32(30)39/h1-24H.
What are the key properties of 4-(5-carbazol-9-ylimidazo[2,1-b][1,3]oxazol-6-yl)-N,N-diphenylaniline?
4-(5-carbazol-9-ylimidazo[2,1-b][1,3]oxazol-6-yl)-N,N-diphenylaniline has a molecular weight of 516.60 g/mol, XLogP of 9.16, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-carbazol-9-ylimidazo[2,1-b][1,3]oxazol-6-yl)-N,N-diphenylaniline is sourced from PubChem (CID 59691106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).