1-dibenzofuran-2-yl-2-phenyl-7-(9-phenylcarbazol-3-yl)imidazo[2,1-b][1,3]benzothiazole

C45H27N3OS — CID 138539007

IUPAC1-dibenzofuran-2-yl-2-phenyl-7-(9-phenylcarbazol-3-yl)imidazo[2,1-b][1,3]benzothiazole
SMILESc1ccc(-c2nc3sc4ccc(-c5ccc6c(c5)c5ccccc5n6-c5ccccc5)cc4n3c2-c2ccc3oc4ccccc4c3c2)cc1
InChIInChI=1S/C45H27N3OS/c1-3-11-28(12-4-1)43-44(31-20-23-41-36(26-31)34-16-8-10-18-40(34)49-41)48-39-27-30(21-24-42(39)50-45(48)46-43)29-19-22-38-35(25-29)33-15-7-9-17-37(33)47(38)32-13-5-2-6-14-32/h1-27H
InChIKeyKPSZFLNDOOMHSA-UHFFFAOYSA-N
MW657.80 g/mol
LogP12.55
Rot. Bonds4

About 1-dibenzofuran-2-yl-2-phenyl-7-(9-phenylcarbazol-3-yl)imidazo[2,1-b][1,3]benzothiazole

1-dibenzofuran-2-yl-2-phenyl-7-(9-phenylcarbazol-3-yl)imidazo[2,1-b][1,3]benzothiazole (PubChem CID 138539007) has the molecular formula C45H27N3OS and a molecular weight of 657.80 g/mol. Its IUPAC name is 1-dibenzofuran-2-yl-2-phenyl-7-(9-phenylcarbazol-3-yl)imidazo[2,1-b][1,3]benzothiazole.

Molecular Properties

Compound Name1-dibenzofuran-2-yl-2-phenyl-7-(9-phenylcarbazol-3-yl)imidazo[2,1-b][1,3]benzothiazole
PubChem CID138539007
Molecular FormulaC45H27N3OS
Molecular Weight657.80 g/mol
Exact Mass657.19
IUPAC Name1-dibenzofuran-2-yl-2-phenyl-7-(9-phenylcarbazol-3-yl)imidazo[2,1-b][1,3]benzothiazole
SMILESc1ccc(-c2nc3sc4ccc(-c5ccc6c(c5)c5ccccc5n6-c5ccccc5)cc4n3c2-c2ccc3oc4ccccc4c3c2)cc1
InChIInChI=1S/C45H27N3OS/c1-3-11-28(12-4-1)43-44(31-20-23-41-36(26-31)34-16-8-10-18-40(34)49-41)48-39-27-30(21-24-42(39)50-45(48)46-43)29-19-22-38-35(25-29)33-15-7-9-17-37(33)47(38)32-13-5-2-6-14-32/h1-27H
InChIKeyKPSZFLNDOOMHSA-UHFFFAOYSA-N
XLogP12.55
TPSA35.37 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500657.80
LogP ≤ 512.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

9-[4-[3,6-bis(9-phenylcarbazol-3-yl)carbazol-9-yl]-6-(3-dibenzofuran-2-ylcarbazol-9-yl)-1,3,5-triazin-2-yl]-3,6-bis(9-phenylcarbazol-3-yl)carbazole
CID 126632674
3-dibenzofuran-2-yl-9-phenylcarbazole;3-dibenzothiophen-2-yl-9-phenylcarbazole;3-dibenzothiophen-2-yl-9-(4-phenylphenyl)carbazole
CID 160651391
3-(8,15-dioxatetracyclo[14.4.0.02,7.09,14]icosa-1(20),2(7),3,5,9,11,13,16,18-nonaen-4-yl)-9-phenylcarbazole
CID 145223329
1,2-diphenyl-7-(9-phenylcarbazol-3-yl)imidazo[2,1-b][1,3]benzoxazole
CID 138539162
3-(3-carbazol-9-ylphenyl)-9-phenylcarbazole;9-(3-dibenzofuran-2-ylphenyl)carbazole
CID 158532240
3-(8-dibenzofuran-2-yldibenzofuran-2-yl)-6,9-diphenylcarbazole
CID 71278016
3-dibenzofuran-2-yl-6-dibenzothiophen-2-yl-9-phenylcarbazole
CID 122451698
3,9-bis(9-phenylcarbazol-3-yl)carbazole;3-[9-(4-dibenzofuran-2-ylphenyl)carbazol-3-yl]-9-(4-phenylphenyl)carbazole;9-phenyl-3,6-bis(9-phenylcarbazol-3-yl)carbazole;9-(4-phenylphenyl)-3-[9-(4-phenylphenyl)carbazol-3-yl]carbazole
CID 158173584
3-dibenzofuran-2-yl-6-(9-phenylcarbazol-3-yl)-9-(3-phenylphenyl)carbazole
CID 129065119
9-dibenzofuran-2-yl-3,6-bis(9-phenylcarbazol-3-yl)carbazole;9-dibenzothiophen-2-yl-3,6-bis(9-phenylcarbazol-3-yl)carbazole;3,6,9-tris(9-phenylcarbazol-3-yl)carbazole
CID 161382413
3-[9-(4-dibenzofuran-2-ylquinazolin-2-yl)carbazol-3-yl]-9-phenylcarbazole
CID 130355720
3-dibenzofuran-2-yl-9-phenylcarbazole;3-dibenzothiophen-2-yl-9-phenylcarbazole;3-dibenzothiophen-2-yl-9-(3-phenylphenyl)carbazole;9-phenyl-2-(9-phenylcarbazol-3-yl)carbazole
CID 157163023

Frequently Asked Questions

What is the IUPAC name of 1-dibenzofuran-2-yl-2-phenyl-7-(9-phenylcarbazol-3-yl)imidazo[2,1-b][1,3]benzothiazole?
The IUPAC name of 1-dibenzofuran-2-yl-2-phenyl-7-(9-phenylcarbazol-3-yl)imidazo[2,1-b][1,3]benzothiazole (CID 138539007) is 1-dibenzofuran-2-yl-2-phenyl-7-(9-phenylcarbazol-3-yl)imidazo[2,1-b][1,3]benzothiazole.
What is the SMILES notation for 1-dibenzofuran-2-yl-2-phenyl-7-(9-phenylcarbazol-3-yl)imidazo[2,1-b][1,3]benzothiazole?
The canonical SMILES for 1-dibenzofuran-2-yl-2-phenyl-7-(9-phenylcarbazol-3-yl)imidazo[2,1-b][1,3]benzothiazole is c1ccc(-c2nc3sc4ccc(-c5ccc6c(c5)c5ccccc5n6-c5ccccc5)cc4n3c2-c2ccc3oc4ccccc4c3c2)cc1.
What is the InChIKey of 1-dibenzofuran-2-yl-2-phenyl-7-(9-phenylcarbazol-3-yl)imidazo[2,1-b][1,3]benzothiazole?
The InChIKey is KPSZFLNDOOMHSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H27N3OS/c1-3-11-28(12-4-1)43-44(31-20-23-41-36(26-31)34-16-8-10-18-40(34)49-41)48-39-27-30(21-24-42(39)50-45(48)46-43)29-19-22-38-35(25-29)33-15-7-9-17-37(33)47(38)32-13-5-2-6-14-32/h1-27H.
What are the key properties of 1-dibenzofuran-2-yl-2-phenyl-7-(9-phenylcarbazol-3-yl)imidazo[2,1-b][1,3]benzothiazole?
1-dibenzofuran-2-yl-2-phenyl-7-(9-phenylcarbazol-3-yl)imidazo[2,1-b][1,3]benzothiazole has a molecular weight of 657.80 g/mol, XLogP of 12.55, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-dibenzofuran-2-yl-2-phenyl-7-(9-phenylcarbazol-3-yl)imidazo[2,1-b][1,3]benzothiazole is sourced from PubChem (CID 138539007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).