9-(8-carbazol-9-yldibenzofuran-2-yl)-3-(1-methylbenzimidazol-5-yl)-6-(trifluoromethyl)carbazole

C45H27F3N4O — CID 134343668

IUPAC9-(8-carbazol-9-yldibenzofuran-2-yl)-3-(1-methylbenzimidazol-5-yl)-6-(trifluoromethyl)carbazole
SMILESCn1cnc2cc(-c3ccc4c(c3)c3cc(C(F)(F)F)ccc3n4-c3ccc4oc5ccc(-n6c7ccccc7c7ccccc76)cc5c4c3)ccc21
InChIInChI=1S/C45H27F3N4O/c1-50-25-49-37-21-27(11-16-42(37)50)26-10-15-40-33(20-26)34-22-28(45(46,47)48)12-17-41(34)52(40)30-14-19-44-36(24-30)35-23-29(13-18-43(35)53-44)51-38-8-4-2-6-31(38)32-7-3-5-9-39(32)51/h2-25H,1H3
InChIKeyVDHFZQPRQMTMDX-UHFFFAOYSA-N
MW696.73 g/mol
LogP12.35
Rot. Bonds3

About 9-(8-carbazol-9-yldibenzofuran-2-yl)-3-(1-methylbenzimidazol-5-yl)-6-(trifluoromethyl)carbazole

9-(8-carbazol-9-yldibenzofuran-2-yl)-3-(1-methylbenzimidazol-5-yl)-6-(trifluoromethyl)carbazole (PubChem CID 134343668) has the molecular formula C45H27F3N4O and a molecular weight of 696.73 g/mol. Its IUPAC name is 9-(8-carbazol-9-yldibenzofuran-2-yl)-3-(1-methylbenzimidazol-5-yl)-6-(trifluoromethyl)carbazole.

Molecular Properties

Compound Name9-(8-carbazol-9-yldibenzofuran-2-yl)-3-(1-methylbenzimidazol-5-yl)-6-(trifluoromethyl)carbazole
PubChem CID134343668
Molecular FormulaC45H27F3N4O
Molecular Weight696.73 g/mol
Exact Mass696.21
IUPAC Name9-(8-carbazol-9-yldibenzofuran-2-yl)-3-(1-methylbenzimidazol-5-yl)-6-(trifluoromethyl)carbazole
SMILESCn1cnc2cc(-c3ccc4c(c3)c3cc(C(F)(F)F)ccc3n4-c3ccc4oc5ccc(-n6c7ccccc7c7ccccc76)cc5c4c3)ccc21
InChIInChI=1S/C45H27F3N4O/c1-50-25-49-37-21-27(11-16-42(37)50)26-10-15-40-33(20-26)34-22-28(45(46,47)48)12-17-41(34)52(40)30-14-19-44-36(24-30)35-23-29(13-18-43(35)53-44)51-38-8-4-2-6-31(38)32-7-3-5-9-39(32)51/h2-25H,1H3
InChIKeyVDHFZQPRQMTMDX-UHFFFAOYSA-N
XLogP12.35
TPSA40.82 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500696.73
LogP ≤ 512.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 9-(8-carbazol-9-yldibenzofuran-2-yl)-3-(1-methylbenzimidazol-5-yl)-6-(trifluoromethyl)carbazole?
The IUPAC name of 9-(8-carbazol-9-yldibenzofuran-2-yl)-3-(1-methylbenzimidazol-5-yl)-6-(trifluoromethyl)carbazole (CID 134343668) is 9-(8-carbazol-9-yldibenzofuran-2-yl)-3-(1-methylbenzimidazol-5-yl)-6-(trifluoromethyl)carbazole.
What is the SMILES notation for 9-(8-carbazol-9-yldibenzofuran-2-yl)-3-(1-methylbenzimidazol-5-yl)-6-(trifluoromethyl)carbazole?
The canonical SMILES for 9-(8-carbazol-9-yldibenzofuran-2-yl)-3-(1-methylbenzimidazol-5-yl)-6-(trifluoromethyl)carbazole is Cn1cnc2cc(-c3ccc4c(c3)c3cc(C(F)(F)F)ccc3n4-c3ccc4oc5ccc(-n6c7ccccc7c7ccccc76)cc5c4c3)ccc21.
What is the InChIKey of 9-(8-carbazol-9-yldibenzofuran-2-yl)-3-(1-methylbenzimidazol-5-yl)-6-(trifluoromethyl)carbazole?
The InChIKey is VDHFZQPRQMTMDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H27F3N4O/c1-50-25-49-37-21-27(11-16-42(37)50)26-10-15-40-33(20-26)34-22-28(45(46,47)48)12-17-41(34)52(40)30-14-19-44-36(24-30)35-23-29(13-18-43(35)53-44)51-38-8-4-2-6-31(38)32-7-3-5-9-39(32)51/h2-25H,1H3.
What are the key properties of 9-(8-carbazol-9-yldibenzofuran-2-yl)-3-(1-methylbenzimidazol-5-yl)-6-(trifluoromethyl)carbazole?
9-(8-carbazol-9-yldibenzofuran-2-yl)-3-(1-methylbenzimidazol-5-yl)-6-(trifluoromethyl)carbazole has a molecular weight of 696.73 g/mol, XLogP of 12.35, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(8-carbazol-9-yldibenzofuran-2-yl)-3-(1-methylbenzimidazol-5-yl)-6-(trifluoromethyl)carbazole is sourced from PubChem (CID 134343668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).