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

C51H32N4O — CID 138539222

IUPAC2-(9-phenylcarbazol-3-yl)-1-[9-(3-phenylphenyl)carbazol-3-yl]imidazo[2,1-b][1,3]benzoxazole
SMILESc1ccc(-c2cccc(-n3c4ccccc4c4cc(-c5c(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)nc6oc7ccccc7n56)ccc43)c2)cc1
InChIInChI=1S/C51H32N4O/c1-3-14-33(15-4-1)34-16-13-19-38(30-34)54-44-23-10-8-21-40(44)42-32-36(27-29-46(42)54)50-49(52-51-55(50)47-24-11-12-25-48(47)56-51)35-26-28-45-41(31-35)39-20-7-9-22-43(39)53(45)37-17-5-2-6-18-37/h1-32H
InChIKeyQXZWGINAKGMLNM-UHFFFAOYSA-N
MW716.84 g/mol
LogP13.28
Rot. Bonds5

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

2-(9-phenylcarbazol-3-yl)-1-[9-(3-phenylphenyl)carbazol-3-yl]imidazo[2,1-b][1,3]benzoxazole (PubChem CID 138539222) has the molecular formula C51H32N4O and a molecular weight of 716.84 g/mol. Its IUPAC name is 2-(9-phenylcarbazol-3-yl)-1-[9-(3-phenylphenyl)carbazol-3-yl]imidazo[2,1-b][1,3]benzoxazole.

Molecular Properties

Compound Name2-(9-phenylcarbazol-3-yl)-1-[9-(3-phenylphenyl)carbazol-3-yl]imidazo[2,1-b][1,3]benzoxazole
PubChem CID138539222
Molecular FormulaC51H32N4O
Molecular Weight716.84 g/mol
Exact Mass716.26
IUPAC Name2-(9-phenylcarbazol-3-yl)-1-[9-(3-phenylphenyl)carbazol-3-yl]imidazo[2,1-b][1,3]benzoxazole
SMILESc1ccc(-c2cccc(-n3c4ccccc4c4cc(-c5c(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)nc6oc7ccccc7n56)ccc43)c2)cc1
InChIInChI=1S/C51H32N4O/c1-3-14-33(15-4-1)34-16-13-19-38(30-34)54-44-23-10-8-21-40(44)42-32-36(27-29-46(42)54)50-49(52-51-55(50)47-24-11-12-25-48(47)56-51)35-26-28-45-41(31-35)39-20-7-9-22-43(39)53(45)37-17-5-2-6-18-37/h1-32H
InChIKeyQXZWGINAKGMLNM-UHFFFAOYSA-N
XLogP13.28
TPSA40.30 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500716.84
LogP ≤ 513.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2,6-diphenyl-1-(9-phenylcarbazol-3-yl)imidazo[2,1-b][1,3]benzoxazole
CID 138539105
1,2-diphenyl-7-(9-phenylcarbazol-3-yl)imidazo[2,1-b][1,3]benzoxazole
CID 138539162
2-(9-phenylcarbazol-3-yl)-1-[9-(4-phenylquinazolin-2-yl)carbazol-3-yl]imidazo[2,1-b][1,3]benzoxazole
CID 138539192
3,9-diphenyl-6-[9-(3-phenylphenyl)carbazol-3-yl]carbazole
CID 118449494
3-dibenzofuran-2-yl-6-(9-phenylcarbazol-3-yl)-9-(3-phenylphenyl)carbazole
CID 129065119
2-phenyl-1-(4-phenylphenyl)imidazo[2,1-b][1,3]benzoxazole
CID 59691075
3-[9-(3-phenylphenyl)carbazol-3-yl]-9-[3-(4-phenylphenyl)phenyl]carbazole;3-[9-(3-phenylphenyl)carbazol-3-yl]-9-[4-(4-phenylphenyl)phenyl]carbazole
CID 161418420
3-(9-phenylcarbazol-3-yl)-9-[3-(4-phenylphenyl)phenyl]carbazole;3-(9-phenylcarbazol-3-yl)-9-[4-(4-phenylphenyl)phenyl]carbazole
CID 161279377
3-(9-phenylcarbazol-3-yl)-9-(3-phenylphenyl)carbazole;9-phenyl-3-[4-(9-phenylcarbazol-3-yl)phenyl]carbazole;9-(3-phenylphenyl)-3-[9-(3-phenylphenyl)carbazol-3-yl]carbazole;9-(4-phenylphenyl)-3-[9-(4-phenylphenyl)carbazol-3-yl]carbazole
CID 158435002
3-(4-carbazol-9-ylphenyl)-9-(3-phenylphenyl)carbazole;3-(4-carbazol-9-ylphenyl)-9-(4-phenylphenyl)carbazole;3-(4-carbazol-9-ylphenyl)-9-[4-(4-phenylphenyl)phenyl]carbazole
CID 159533505
9-(3-phenylphenyl)-3-[9-(4-phenylphenyl)carbazol-3-yl]carbazole
CID 118014168
3-(3-carbazol-9-ylphenyl)-9-phenylcarbazole;9-(3-dibenzofuran-2-ylphenyl)carbazole
CID 158532240

Frequently Asked Questions

What is the IUPAC name of 2-(9-phenylcarbazol-3-yl)-1-[9-(3-phenylphenyl)carbazol-3-yl]imidazo[2,1-b][1,3]benzoxazole?
The IUPAC name of 2-(9-phenylcarbazol-3-yl)-1-[9-(3-phenylphenyl)carbazol-3-yl]imidazo[2,1-b][1,3]benzoxazole (CID 138539222) is 2-(9-phenylcarbazol-3-yl)-1-[9-(3-phenylphenyl)carbazol-3-yl]imidazo[2,1-b][1,3]benzoxazole.
What is the SMILES notation for 2-(9-phenylcarbazol-3-yl)-1-[9-(3-phenylphenyl)carbazol-3-yl]imidazo[2,1-b][1,3]benzoxazole?
The canonical SMILES for 2-(9-phenylcarbazol-3-yl)-1-[9-(3-phenylphenyl)carbazol-3-yl]imidazo[2,1-b][1,3]benzoxazole is c1ccc(-c2cccc(-n3c4ccccc4c4cc(-c5c(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)nc6oc7ccccc7n56)ccc43)c2)cc1.
What is the InChIKey of 2-(9-phenylcarbazol-3-yl)-1-[9-(3-phenylphenyl)carbazol-3-yl]imidazo[2,1-b][1,3]benzoxazole?
The InChIKey is QXZWGINAKGMLNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H32N4O/c1-3-14-33(15-4-1)34-16-13-19-38(30-34)54-44-23-10-8-21-40(44)42-32-36(27-29-46(42)54)50-49(52-51-55(50)47-24-11-12-25-48(47)56-51)35-26-28-45-41(31-35)39-20-7-9-22-43(39)53(45)37-17-5-2-6-18-37/h1-32H.
What are the key properties of 2-(9-phenylcarbazol-3-yl)-1-[9-(3-phenylphenyl)carbazol-3-yl]imidazo[2,1-b][1,3]benzoxazole?
2-(9-phenylcarbazol-3-yl)-1-[9-(3-phenylphenyl)carbazol-3-yl]imidazo[2,1-b][1,3]benzoxazole has a molecular weight of 716.84 g/mol, XLogP of 13.28, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(9-phenylcarbazol-3-yl)-1-[9-(3-phenylphenyl)carbazol-3-yl]imidazo[2,1-b][1,3]benzoxazole is sourced from PubChem (CID 138539222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).