2,6-diphenyl-1-(9-phenylcarbazol-3-yl)imidazo[2,1-b][1,3]benzoxazole

C39H25N3O — CID 138539105

IUPAC2,6-diphenyl-1-(9-phenylcarbazol-3-yl)imidazo[2,1-b][1,3]benzoxazole
SMILESc1ccc(-c2ccc3c(c2)oc2nc(-c4ccccc4)c(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)n23)cc1
InChIInChI=1S/C39H25N3O/c1-4-12-26(13-5-1)28-20-23-35-36(25-28)43-39-40-37(27-14-6-2-7-15-27)38(42(35)39)29-21-22-34-32(24-29)31-18-10-11-19-33(31)41(34)30-16-8-3-9-17-30/h1-25H
InChIKeyPULJAHXNWSRMRZ-UHFFFAOYSA-N
MW551.65 g/mol
LogP10.18
Rot. Bonds4

About 2,6-diphenyl-1-(9-phenylcarbazol-3-yl)imidazo[2,1-b][1,3]benzoxazole

2,6-diphenyl-1-(9-phenylcarbazol-3-yl)imidazo[2,1-b][1,3]benzoxazole (PubChem CID 138539105) has the molecular formula C39H25N3O and a molecular weight of 551.65 g/mol. Its IUPAC name is 2,6-diphenyl-1-(9-phenylcarbazol-3-yl)imidazo[2,1-b][1,3]benzoxazole.

Molecular Properties

Compound Name2,6-diphenyl-1-(9-phenylcarbazol-3-yl)imidazo[2,1-b][1,3]benzoxazole
PubChem CID138539105
Molecular FormulaC39H25N3O
Molecular Weight551.65 g/mol
Exact Mass551.20
IUPAC Name2,6-diphenyl-1-(9-phenylcarbazol-3-yl)imidazo[2,1-b][1,3]benzoxazole
SMILESc1ccc(-c2ccc3c(c2)oc2nc(-c4ccccc4)c(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)n23)cc1
InChIInChI=1S/C39H25N3O/c1-4-12-26(13-5-1)28-20-23-35-36(25-28)43-39-40-37(27-14-6-2-7-15-27)38(42(35)39)29-21-22-34-32(24-29)31-18-10-11-19-33(31)41(34)30-16-8-3-9-17-30/h1-25H
InChIKeyPULJAHXNWSRMRZ-UHFFFAOYSA-N
XLogP10.18
TPSA35.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500551.65
LogP ≤ 510.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(9-phenylcarbazol-3-yl)-1-[9-(3-phenylphenyl)carbazol-3-yl]imidazo[2,1-b][1,3]benzoxazole
CID 138539222
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
9-phenyl-3-(4-phenylphenyl)-6-[9-[4-(3-phenylquinoxalin-2-yl)phenyl]carbazol-3-yl]carbazole
CID 59489317
2-phenyl-1-(4-phenylphenyl)imidazo[2,1-b][1,3]benzoxazole
CID 59691075
3-(6,9-diphenylcarbazol-3-yl)-6,9-diphenylcarbazole;3,9-diphenyl-6-(9-phenylcarbazol-3-yl)carbazole;9-(4-phenylphenyl)-3-[9-(4-phenylphenyl)carbazol-3-yl]carbazole
CID 158667860
9-phenyl-3-[4-[3-(4-phenylphenyl)carbazol-9-yl]phenyl]carbazole
CID 126682013
3-(9-phenylcarbazol-3-yl)-9-(4-phenylphenyl)carbazole;9-phenyl-3-(9-phenylcarbazol-3-yl)carbazole
CID 158377312
3-(9-phenylcarbazol-3-yl)-9-[4-(4-phenylphenyl)phenyl]carbazole
CID 118268216
3,9-diphenyl-6-[7-(9-phenylcarbazol-2-yl)dibenzofuran-3-yl]carbazole
CID 118565399
1-dibenzofuran-2-yl-2-phenyl-7-(9-phenylcarbazol-3-yl)imidazo[2,1-b][1,3]benzothiazole
CID 138539007
3-(9-phenylcarbazol-3-yl)-9-[4-[4-(4-phenylphenyl)phenyl]quinazolin-2-yl]carbazole
CID 90050965

Frequently Asked Questions

What is the IUPAC name of 2,6-diphenyl-1-(9-phenylcarbazol-3-yl)imidazo[2,1-b][1,3]benzoxazole?
The IUPAC name of 2,6-diphenyl-1-(9-phenylcarbazol-3-yl)imidazo[2,1-b][1,3]benzoxazole (CID 138539105) is 2,6-diphenyl-1-(9-phenylcarbazol-3-yl)imidazo[2,1-b][1,3]benzoxazole.
What is the SMILES notation for 2,6-diphenyl-1-(9-phenylcarbazol-3-yl)imidazo[2,1-b][1,3]benzoxazole?
The canonical SMILES for 2,6-diphenyl-1-(9-phenylcarbazol-3-yl)imidazo[2,1-b][1,3]benzoxazole is c1ccc(-c2ccc3c(c2)oc2nc(-c4ccccc4)c(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)n23)cc1.
What is the InChIKey of 2,6-diphenyl-1-(9-phenylcarbazol-3-yl)imidazo[2,1-b][1,3]benzoxazole?
The InChIKey is PULJAHXNWSRMRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H25N3O/c1-4-12-26(13-5-1)28-20-23-35-36(25-28)43-39-40-37(27-14-6-2-7-15-27)38(42(35)39)29-21-22-34-32(24-29)31-18-10-11-19-33(31)41(34)30-16-8-3-9-17-30/h1-25H.
What are the key properties of 2,6-diphenyl-1-(9-phenylcarbazol-3-yl)imidazo[2,1-b][1,3]benzoxazole?
2,6-diphenyl-1-(9-phenylcarbazol-3-yl)imidazo[2,1-b][1,3]benzoxazole has a molecular weight of 551.65 g/mol, XLogP of 10.18, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-diphenyl-1-(9-phenylcarbazol-3-yl)imidazo[2,1-b][1,3]benzoxazole is sourced from PubChem (CID 138539105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).