3-dibenzofuran-4-yl-9-[3-(3-dibenzofuran-4-ylcarbazol-9-yl)phenyl]carbazole

C54H32N2O2 — CID 71004884

IUPAC3-dibenzofuran-4-yl-9-[3-(3-dibenzofuran-4-ylcarbazol-9-yl)phenyl]carbazole
SMILESc1cc(-n2c3ccccc3c3cc(-c4cccc5c4oc4ccccc45)ccc32)cc(-n2c3ccccc3c3cc(-c4cccc5c4oc4ccccc45)ccc32)c1
InChIInChI=1S/C54H32N2O2/c1-5-22-47-39(14-1)45-30-33(37-18-10-20-43-41-16-3-7-24-51(41)57-53(37)43)26-28-49(45)55(47)35-12-9-13-36(32-35)56-48-23-6-2-15-40(48)46-31-34(27-29-50(46)56)38-19-11-21-44-42-17-4-8-25-52(42)58-54(38)44/h1-32H
InChIKeyCNSDPVRTYPEQRT-UHFFFAOYSA-N
MW740.86 g/mol
LogP15.01
Rot. Bonds4

About 3-dibenzofuran-4-yl-9-[3-(3-dibenzofuran-4-ylcarbazol-9-yl)phenyl]carbazole

3-dibenzofuran-4-yl-9-[3-(3-dibenzofuran-4-ylcarbazol-9-yl)phenyl]carbazole (PubChem CID 71004884) has the molecular formula C54H32N2O2 and a molecular weight of 740.86 g/mol. Its IUPAC name is 3-dibenzofuran-4-yl-9-[3-(3-dibenzofuran-4-ylcarbazol-9-yl)phenyl]carbazole.

Molecular Properties

Compound Name3-dibenzofuran-4-yl-9-[3-(3-dibenzofuran-4-ylcarbazol-9-yl)phenyl]carbazole
PubChem CID71004884
Molecular FormulaC54H32N2O2
Molecular Weight740.86 g/mol
Exact Mass740.25
IUPAC Name3-dibenzofuran-4-yl-9-[3-(3-dibenzofuran-4-ylcarbazol-9-yl)phenyl]carbazole
SMILESc1cc(-n2c3ccccc3c3cc(-c4cccc5c4oc4ccccc45)ccc32)cc(-n2c3ccccc3c3cc(-c4cccc5c4oc4ccccc45)ccc32)c1
InChIInChI=1S/C54H32N2O2/c1-5-22-47-39(14-1)45-30-33(37-18-10-20-43-41-16-3-7-24-51(41)57-53(37)43)26-28-49(45)55(47)35-12-9-13-36(32-35)56-48-23-6-2-15-40(48)46-31-34(27-29-50(46)56)38-19-11-21-44-42-17-4-8-25-52(42)58-54(38)44/h1-32H
InChIKeyCNSDPVRTYPEQRT-UHFFFAOYSA-N
XLogP15.01
TPSA36.14 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500740.86
LogP ≤ 515.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-dibenzofuran-4-yl-9-(9-phenylcarbazol-3-yl)carbazole
CID 170132775
3-dibenzofuran-4-yl-9-(3-dibenzofuran-4-ylphenyl)-6-(9-phenylcarbazol-3-yl)carbazole
CID 121449361
9-[3-(8-carbazol-9-yldibenzofuran-4-yl)phenyl]-3-dibenzofuran-4-ylcarbazole
CID 58099745
2-dibenzofuran-4-yl-5,7-diphenylindolo[2,3-b]carbazole;5-(4-dibenzofuran-4-ylphenyl)-7-phenylindolo[2,3-b]carbazole;5,7-diphenyl-2-(9-phenylcarbazol-3-yl)indolo[2,3-b]carbazole
CID 160885475
3-dibenzofuran-4-yl-9-[4-[8-(3-dibenzofuran-4-ylcarbazol-9-yl)dibenzofuran-2-yl]phenyl]carbazole
CID 121449462
3-[9-(4-dibenzofuran-4-ylphenyl)carbazol-3-yl]-9-(3-phenylphenyl)carbazole
CID 134313296
3-[3-[3-(4-dibenzofuran-4-ylphenyl)phenyl]phenyl]-9-phenylcarbazole
CID 121262432
3-[9-(3-dibenzofuran-4-ylphenyl)carbazol-3-yl]-9-naphthalen-2-ylcarbazole
CID 155305912
3-dibenzofuran-4-yl-9-(2-dibenzofuran-4-ylphenyl)-6-(9-phenylcarbazol-3-yl)carbazole
CID 177209647
3-[8-[9-(4-dibenzofuran-4-ylphenyl)carbazol-3-yl]dibenzofuran-2-yl]-9-phenylcarbazole
CID 137474197
2-dibenzofuran-4-yl-9-(3-triphenylen-2-ylphenyl)carbazole
CID 87156606
3-dibenzofuran-2-yl-9-(4-dibenzofuran-4-ylphenyl)carbazole
CID 121449395

Frequently Asked Questions

What is the IUPAC name of 3-dibenzofuran-4-yl-9-[3-(3-dibenzofuran-4-ylcarbazol-9-yl)phenyl]carbazole?
The IUPAC name of 3-dibenzofuran-4-yl-9-[3-(3-dibenzofuran-4-ylcarbazol-9-yl)phenyl]carbazole (CID 71004884) is 3-dibenzofuran-4-yl-9-[3-(3-dibenzofuran-4-ylcarbazol-9-yl)phenyl]carbazole.
What is the SMILES notation for 3-dibenzofuran-4-yl-9-[3-(3-dibenzofuran-4-ylcarbazol-9-yl)phenyl]carbazole?
The canonical SMILES for 3-dibenzofuran-4-yl-9-[3-(3-dibenzofuran-4-ylcarbazol-9-yl)phenyl]carbazole is c1cc(-n2c3ccccc3c3cc(-c4cccc5c4oc4ccccc45)ccc32)cc(-n2c3ccccc3c3cc(-c4cccc5c4oc4ccccc45)ccc32)c1.
What is the InChIKey of 3-dibenzofuran-4-yl-9-[3-(3-dibenzofuran-4-ylcarbazol-9-yl)phenyl]carbazole?
The InChIKey is CNSDPVRTYPEQRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H32N2O2/c1-5-22-47-39(14-1)45-30-33(37-18-10-20-43-41-16-3-7-24-51(41)57-53(37)43)26-28-49(45)55(47)35-12-9-13-36(32-35)56-48-23-6-2-15-40(48)46-31-34(27-29-50(46)56)38-19-11-21-44-42-17-4-8-25-52(42)58-54(38)44/h1-32H.
What are the key properties of 3-dibenzofuran-4-yl-9-[3-(3-dibenzofuran-4-ylcarbazol-9-yl)phenyl]carbazole?
3-dibenzofuran-4-yl-9-[3-(3-dibenzofuran-4-ylcarbazol-9-yl)phenyl]carbazole has a molecular weight of 740.86 g/mol, XLogP of 15.01, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-dibenzofuran-4-yl-9-[3-(3-dibenzofuran-4-ylcarbazol-9-yl)phenyl]carbazole is sourced from PubChem (CID 71004884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).