5-[9-(8-carbazol-9-yldibenzofuran-2-yl)-6-(trifluoromethyl)carbazol-3-yl]-1,3-benzoxazole

C44H24F3N3O2 — CID 134343640

IUPAC5-[9-(8-carbazol-9-yldibenzofuran-2-yl)-6-(trifluoromethyl)carbazol-3-yl]-1,3-benzoxazole
SMILESFC(F)(F)c1ccc2c(c1)c1cc(-c3ccc4ocnc4c3)ccc1n2-c1ccc2oc3ccc(-n4c5ccccc5c5ccccc54)cc3c2c1
InChIInChI=1S/C44H24F3N3O2/c45-44(46,47)27-11-15-40-33(21-27)32-19-25(26-10-16-43-36(20-26)48-24-51-43)9-14-39(32)50(40)29-13-18-42-35(23-29)34-22-28(12-17-41(34)52-42)49-37-7-3-1-5-30(37)31-6-2-4-8-38(31)49/h1-24H
InChIKeyZSVJCVAQUOJTGU-UHFFFAOYSA-N
MW683.69 g/mol
LogP12.61
Rot. Bonds3

About 5-[9-(8-carbazol-9-yldibenzofuran-2-yl)-6-(trifluoromethyl)carbazol-3-yl]-1,3-benzoxazole

5-[9-(8-carbazol-9-yldibenzofuran-2-yl)-6-(trifluoromethyl)carbazol-3-yl]-1,3-benzoxazole (PubChem CID 134343640) has the molecular formula C44H24F3N3O2 and a molecular weight of 683.69 g/mol. Its IUPAC name is 5-[9-(8-carbazol-9-yldibenzofuran-2-yl)-6-(trifluoromethyl)carbazol-3-yl]-1,3-benzoxazole.

Molecular Properties

Compound Name5-[9-(8-carbazol-9-yldibenzofuran-2-yl)-6-(trifluoromethyl)carbazol-3-yl]-1,3-benzoxazole
PubChem CID134343640
Molecular FormulaC44H24F3N3O2
Molecular Weight683.69 g/mol
Exact Mass683.18
IUPAC Name5-[9-(8-carbazol-9-yldibenzofuran-2-yl)-6-(trifluoromethyl)carbazol-3-yl]-1,3-benzoxazole
SMILESFC(F)(F)c1ccc2c(c1)c1cc(-c3ccc4ocnc4c3)ccc1n2-c1ccc2oc3ccc(-n4c5ccccc5c5ccccc54)cc3c2c1
InChIInChI=1S/C44H24F3N3O2/c45-44(46,47)27-11-15-40-33(21-27)32-19-25(26-10-16-43-36(20-26)48-24-51-43)9-14-39(32)50(40)29-13-18-42-35(23-29)34-22-28(12-17-41(34)52-42)49-37-7-3-1-5-30(37)31-6-2-4-8-38(31)49/h1-24H
InChIKeyZSVJCVAQUOJTGU-UHFFFAOYSA-N
XLogP12.61
TPSA49.03 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500683.69
LogP ≤ 512.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-phenyl-9-[8-[3-(3-phenylphenyl)phenyl]dibenzofuran-2-yl]-6-(trifluoromethyl)carbazole
CID 134343654
9-[8-[8-(8-carbazol-9-yldibenzofuran-2-yl)dibenzofuran-2-yl]dibenzofuran-2-yl]carbazole
CID 59348295
3-(8-carbazol-9-yldibenzofuran-2-yl)-9-phenylcarbazole
CID 59348276
9-[16-(16-carbazol-9-yl-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4(9),5,7,11,14(19),15,17-nonaen-6-yl)-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14(19),15,17-nonaen-6-yl]carbazole
CID 59147197
3-phenyl-9-[8-(9-phenylcarbazol-3-yl)dibenzofuran-2-yl]carbazole
CID 89491924
3,6-bis(9-dibenzofuran-2-ylcarbazol-3-yl)-9-phenylcarbazole
CID 88594554
9-dibenzofuran-2-yl-3-[3-(3-dibenzofuran-2-ylphenyl)phenyl]carbazole
CID 123818422
9-[8-[8-(8-carbazol-9-yldibenzofuran-2-yl)dibenzofuran-2-yl]dibenzofuran-2-yl]carbazole;9-[8-[3-[3-(8-carbazol-9-yldibenzofuran-2-yl)phenyl]phenyl]dibenzofuran-2-yl]carbazole
CID 158645763
3-[9-[3-(8-carbazol-9-yldibenzofuran-2-yl)phenyl]carbazol-3-yl]-9-phenylcarbazole
CID 154593068
3-carbazol-9-yl-6-[8-[3-[8-(6-carbazol-9-yl-9-phenylcarbazol-3-yl)dibenzofuran-2-yl]phenyl]dibenzofuran-2-yl]-9-phenylcarbazole
CID 148847912
3-phenyl-9-[8-[3-phenyl-5-(3-phenylphenyl)phenyl]dibenzofuran-2-yl]carbazole
CID 170390017
2,6-diphenyl-9-[8-(3-phenylcarbazol-9-yl)dibenzofuran-2-yl]carbazole
CID 163479066

Frequently Asked Questions

What is the IUPAC name of 5-[9-(8-carbazol-9-yldibenzofuran-2-yl)-6-(trifluoromethyl)carbazol-3-yl]-1,3-benzoxazole?
The IUPAC name of 5-[9-(8-carbazol-9-yldibenzofuran-2-yl)-6-(trifluoromethyl)carbazol-3-yl]-1,3-benzoxazole (CID 134343640) is 5-[9-(8-carbazol-9-yldibenzofuran-2-yl)-6-(trifluoromethyl)carbazol-3-yl]-1,3-benzoxazole.
What is the SMILES notation for 5-[9-(8-carbazol-9-yldibenzofuran-2-yl)-6-(trifluoromethyl)carbazol-3-yl]-1,3-benzoxazole?
The canonical SMILES for 5-[9-(8-carbazol-9-yldibenzofuran-2-yl)-6-(trifluoromethyl)carbazol-3-yl]-1,3-benzoxazole is FC(F)(F)c1ccc2c(c1)c1cc(-c3ccc4ocnc4c3)ccc1n2-c1ccc2oc3ccc(-n4c5ccccc5c5ccccc54)cc3c2c1.
What is the InChIKey of 5-[9-(8-carbazol-9-yldibenzofuran-2-yl)-6-(trifluoromethyl)carbazol-3-yl]-1,3-benzoxazole?
The InChIKey is ZSVJCVAQUOJTGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H24F3N3O2/c45-44(46,47)27-11-15-40-33(21-27)32-19-25(26-10-16-43-36(20-26)48-24-51-43)9-14-39(32)50(40)29-13-18-42-35(23-29)34-22-28(12-17-41(34)52-42)49-37-7-3-1-5-30(37)31-6-2-4-8-38(31)49/h1-24H.
What are the key properties of 5-[9-(8-carbazol-9-yldibenzofuran-2-yl)-6-(trifluoromethyl)carbazol-3-yl]-1,3-benzoxazole?
5-[9-(8-carbazol-9-yldibenzofuran-2-yl)-6-(trifluoromethyl)carbazol-3-yl]-1,3-benzoxazole has a molecular weight of 683.69 g/mol, XLogP of 12.61, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[9-(8-carbazol-9-yldibenzofuran-2-yl)-6-(trifluoromethyl)carbazol-3-yl]-1,3-benzoxazole is sourced from PubChem (CID 134343640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).