9-bromo-2,6-diphenyl-[1,3]oxazolo[5,4-c]carbazole

C25H15BrN2O — CID 142725738

IUPAC9-bromo-2,6-diphenyl-[1,3]oxazolo[5,4-c]carbazole
SMILESBrc1ccc2c(c1)c1c3nc(-c4ccccc4)oc3ccc1n2-c1ccccc1
InChIInChI=1S/C25H15BrN2O/c26-17-11-12-20-19(15-17)23-21(28(20)18-9-5-2-6-10-18)13-14-22-24(23)27-25(29-22)16-7-3-1-4-8-16/h1-15H
InChIKeyIJKXTBLHSSQRHU-UHFFFAOYSA-N
MW439.31 g/mol
LogP7.35
Rot. Bonds2

About 9-bromo-2,6-diphenyl-[1,3]oxazolo[5,4-c]carbazole

9-bromo-2,6-diphenyl-[1,3]oxazolo[5,4-c]carbazole (PubChem CID 142725738) has the molecular formula C25H15BrN2O and a molecular weight of 439.31 g/mol. Its IUPAC name is 9-bromo-2,6-diphenyl-[1,3]oxazolo[5,4-c]carbazole.

Molecular Properties

Compound Name9-bromo-2,6-diphenyl-[1,3]oxazolo[5,4-c]carbazole
PubChem CID142725738
Molecular FormulaC25H15BrN2O
Molecular Weight439.31 g/mol
Exact Mass438.04
IUPAC Name9-bromo-2,6-diphenyl-[1,3]oxazolo[5,4-c]carbazole
SMILESBrc1ccc2c(c1)c1c3nc(-c4ccccc4)oc3ccc1n2-c1ccccc1
InChIInChI=1S/C25H15BrN2O/c26-17-11-12-20-19(15-17)23-21(28(20)18-9-5-2-6-10-18)13-14-22-24(23)27-25(29-22)16-7-3-1-4-8-16/h1-15H
InChIKeyIJKXTBLHSSQRHU-UHFFFAOYSA-N
XLogP7.35
TPSA30.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500439.31
LogP ≤ 57.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-phenyl-9-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]naphtho[1,2-e][1,3]benzoxazole
CID 135253508
3-bromo-6-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-9-phenylcarbazole
CID 155649676
9-phenyl-N-[4-(2-phenyl-[1]benzofuro[3,2-e][1,3]benzoxazol-7-yl)phenyl]-N-(4-phenylphenyl)carbazol-3-amine
CID 167123619
N-dibenzofuran-2-yl-2-phenyl-N-(9-phenylcarbazol-2-yl)-[1]benzofuro[3,2-e][1,3]benzoxazol-9-amine
CID 167125034
17-bromo-5-phenyl-6-oxa-11-thia-4-azapentacyclo[10.8.0.02,10.03,7.015,20]icosa-1(12),2(10),3(7),4,8,13,15(20),16,18-nonaene
CID 177085985
9-bromo-6-phenyl-[1]benzofuro[2,3-b]indole
CID 90267791
N,9-diphenyl-N-[4-(2-phenyl-[1]benzofuro[3,2-e][1,3]benzoxazol-9-yl)phenyl]carbazol-2-amine
CID 170395939
2-[4-(12-azapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaen-12-yl)phenyl]-5-phenyl-[1]benzofuro[3,2-e][1,3]benzoxazole
CID 167453402
13-[4-(3-carbazol-9-ylphenyl)-6-naphthalen-2-yl-1,3,5-triazin-2-yl]-5-phenyl-6,11-dioxa-4-azapentacyclo[10.8.0.02,10.03,7.015,20]icosa-1(12),2(10),3(7),4,8,13,15,17,19-nonaene
CID 177085895
9-phenyl-N-[4-(2-phenyl-[1]benzofuro[3,2-e][1,3]benzoxazol-9-yl)phenyl]-N-(3-phenylphenyl)carbazol-2-amine
CID 167124929
2-[9-[8-bromo-1-(9-phenylcarbazol-4-yl)dibenzofuran-3-yl]carbazol-3-yl]-1,3-benzoxazole
CID 164805729
9-phenyl-N-[4-(2-phenyl-[1]benzofuro[3,2-e][1,3]benzoxazol-7-yl)phenyl]-N-(3-phenylphenyl)carbazol-2-amine
CID 167124892

Frequently Asked Questions

What is the IUPAC name of 9-bromo-2,6-diphenyl-[1,3]oxazolo[5,4-c]carbazole?
The IUPAC name of 9-bromo-2,6-diphenyl-[1,3]oxazolo[5,4-c]carbazole (CID 142725738) is 9-bromo-2,6-diphenyl-[1,3]oxazolo[5,4-c]carbazole.
What is the SMILES notation for 9-bromo-2,6-diphenyl-[1,3]oxazolo[5,4-c]carbazole?
The canonical SMILES for 9-bromo-2,6-diphenyl-[1,3]oxazolo[5,4-c]carbazole is Brc1ccc2c(c1)c1c3nc(-c4ccccc4)oc3ccc1n2-c1ccccc1.
What is the InChIKey of 9-bromo-2,6-diphenyl-[1,3]oxazolo[5,4-c]carbazole?
The InChIKey is IJKXTBLHSSQRHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H15BrN2O/c26-17-11-12-20-19(15-17)23-21(28(20)18-9-5-2-6-10-18)13-14-22-24(23)27-25(29-22)16-7-3-1-4-8-16/h1-15H.
What are the key properties of 9-bromo-2,6-diphenyl-[1,3]oxazolo[5,4-c]carbazole?
9-bromo-2,6-diphenyl-[1,3]oxazolo[5,4-c]carbazole has a molecular weight of 439.31 g/mol, XLogP of 7.35, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-bromo-2,6-diphenyl-[1,3]oxazolo[5,4-c]carbazole is sourced from PubChem (CID 142725738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).