3-(9-dibenzofuran-4-ylcarbazol-3-yl)-9-[9-(2,3,4,5,6-pentadeuteriophenyl)dibenzofuran-2-yl]carbazole

C54H32N2O2 — CID 177077333

IUPAC3-(9-dibenzofuran-4-ylcarbazol-3-yl)-9-[9-(2,3,4,5,6-pentadeuteriophenyl)dibenzofuran-2-yl]carbazole
SMILES[2H]c1c([2H])c([2H])c(-c2cccc3oc4ccc(-n5c6ccccc6c6cc(-c7ccc8c(c7)c7ccccc7n8-c7cccc8c7oc7ccccc78)ccc65)cc4c23)c([2H])c1[2H]
InChIInChI=1S/C54H32N2O2/c1-2-12-33(13-3-1)37-17-11-23-52-53(37)44-32-36(26-29-51(44)57-52)55-45-19-7-4-14-38(45)42-30-34(24-27-47(42)55)35-25-28-48-43(31-35)39-15-5-8-20-46(39)56(48)49-21-10-18-41-40-16-6-9-22-50(40)58-54(41)49/h1-32H/i1D,2D,3D,12D,13D
InChIKeySFHPPVIXDOAOPO-AYAICNHJSA-N
MW745.89 g/mol
LogP15.01
Rot. Bonds4

About 3-(9-dibenzofuran-4-ylcarbazol-3-yl)-9-[9-(2,3,4,5,6-pentadeuteriophenyl)dibenzofuran-2-yl]carbazole

3-(9-dibenzofuran-4-ylcarbazol-3-yl)-9-[9-(2,3,4,5,6-pentadeuteriophenyl)dibenzofuran-2-yl]carbazole (PubChem CID 177077333) has the molecular formula C54H32N2O2 and a molecular weight of 745.89 g/mol. Its IUPAC name is 3-(9-dibenzofuran-4-ylcarbazol-3-yl)-9-[9-(2,3,4,5,6-pentadeuteriophenyl)dibenzofuran-2-yl]carbazole.

Molecular Properties

Compound Name3-(9-dibenzofuran-4-ylcarbazol-3-yl)-9-[9-(2,3,4,5,6-pentadeuteriophenyl)dibenzofuran-2-yl]carbazole
PubChem CID177077333
Molecular FormulaC54H32N2O2
Molecular Weight745.89 g/mol
Exact Mass745.28
IUPAC Name3-(9-dibenzofuran-4-ylcarbazol-3-yl)-9-[9-(2,3,4,5,6-pentadeuteriophenyl)dibenzofuran-2-yl]carbazole
SMILES[2H]c1c([2H])c([2H])c(-c2cccc3oc4ccc(-n5c6ccccc6c6cc(-c7ccc8c(c7)c7ccccc7n8-c7cccc8c7oc7ccccc78)ccc65)cc4c23)c([2H])c1[2H]
InChIInChI=1S/C54H32N2O2/c1-2-12-33(13-3-1)37-17-11-23-52-53(37)44-32-36(26-29-51(44)57-52)55-45-19-7-4-14-38(45)42-30-34(24-27-47(42)55)35-25-28-48-43(31-35)39-15-5-8-20-46(39)56(48)49-21-10-18-41-40-16-6-9-22-50(40)58-54(41)49/h1-32H/i1D,2D,3D,12D,13D
InChIKeySFHPPVIXDOAOPO-AYAICNHJSA-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 ≤ 500745.89
LogP ≤ 515.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-(9-dibenzofuran-4-ylcarbazol-3-yl)-9-(8-phenyldibenzofuran-2-yl)carbazole
CID 123500568
9-dibenzofuran-2-yl-3-[3-(3-phenylphenyl)phenyl]carbazole;3,6-diphenyl-9-[8-[3-(3-phenylphenyl)phenyl]dibenzofuran-4-yl]carbazole;3-[3-(3-phenylphenyl)phenyl]-9-[8-[3-[3-(3-phenylphenyl)phenyl]carbazol-9-yl]dibenzofuran-2-yl]carbazole
CID 158273380
3-[9-(4-methylphenyl)carbazol-3-yl]-9-[9-(2,3,4,5,6-pentadeuteriophenyl)dibenzofuran-3-yl]carbazole
CID 177077405
2-[3-[3-[9-[9-(2,3,4,5,6-pentadeuteriophenyl)dibenzofuran-2-yl]carbazol-3-yl]carbazol-9-yl]phenyl]-N-phenylaniline
CID 177077305
2-fluoro-6-[7-fluoro-9-[9-(2,3,4,5,6-pentadeuteriophenyl)dibenzofuran-2-yl]carbazol-3-yl]-9-phenylcarbazole
CID 177077466
3-[9-[4,6-bis(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]dibenzofuran-2-yl]-9-dibenzofuran-3-ylcarbazole
CID 169060653
9-(9-dibenzofuran-2-yldibenzofuran-4-yl)-3-phenylcarbazole
CID 153223652
3-(6-carbazol-9-yldibenzofuran-2-yl)-9-dibenzofuran-4-ylcarbazole
CID 58058989
3-[9-dibenzofuran-4-yl-6-[3-[8-[3-phenyl-6-(9-phenylcarbazol-3-yl)carbazol-9-yl]dibenzofuran-4-yl]phenyl]carbazol-3-yl]-6,9-diphenylcarbazole
CID 137420572
3-carbazol-9-yl-9-(9-dibenzofuran-2-ylcarbazol-3-yl)carbazole;3-carbazol-9-yl-9-(9-dibenzofuran-3-ylcarbazol-3-yl)carbazole;3-carbazol-9-yl-9-(9-dibenzofuran-4-ylcarbazol-3-yl)carbazole
CID 161172742
3-[9-(3,5-diphenylphenyl)carbazol-3-yl]-9-[9-(2,3,4,5,6-pentadeuteriophenyl)dibenzofuran-3-yl]carbazole
CID 177077281
3-(9-phenylcarbazol-3-yl)-9-[9-(4-phenylphenyl)dibenzofuran-2-yl]carbazole
CID 177077416

Frequently Asked Questions

What is the IUPAC name of 3-(9-dibenzofuran-4-ylcarbazol-3-yl)-9-[9-(2,3,4,5,6-pentadeuteriophenyl)dibenzofuran-2-yl]carbazole?
The IUPAC name of 3-(9-dibenzofuran-4-ylcarbazol-3-yl)-9-[9-(2,3,4,5,6-pentadeuteriophenyl)dibenzofuran-2-yl]carbazole (CID 177077333) is 3-(9-dibenzofuran-4-ylcarbazol-3-yl)-9-[9-(2,3,4,5,6-pentadeuteriophenyl)dibenzofuran-2-yl]carbazole.
What is the SMILES notation for 3-(9-dibenzofuran-4-ylcarbazol-3-yl)-9-[9-(2,3,4,5,6-pentadeuteriophenyl)dibenzofuran-2-yl]carbazole?
The canonical SMILES for 3-(9-dibenzofuran-4-ylcarbazol-3-yl)-9-[9-(2,3,4,5,6-pentadeuteriophenyl)dibenzofuran-2-yl]carbazole is [2H]c1c([2H])c([2H])c(-c2cccc3oc4ccc(-n5c6ccccc6c6cc(-c7ccc8c(c7)c7ccccc7n8-c7cccc8c7oc7ccccc78)ccc65)cc4c23)c([2H])c1[2H].
What is the InChIKey of 3-(9-dibenzofuran-4-ylcarbazol-3-yl)-9-[9-(2,3,4,5,6-pentadeuteriophenyl)dibenzofuran-2-yl]carbazole?
The InChIKey is SFHPPVIXDOAOPO-AYAICNHJSA-N. The full InChI is InChI=1S/C54H32N2O2/c1-2-12-33(13-3-1)37-17-11-23-52-53(37)44-32-36(26-29-51(44)57-52)55-45-19-7-4-14-38(45)42-30-34(24-27-47(42)55)35-25-28-48-43(31-35)39-15-5-8-20-46(39)56(48)49-21-10-18-41-40-16-6-9-22-50(40)58-54(41)49/h1-32H/i1D,2D,3D,12D,13D.
What are the key properties of 3-(9-dibenzofuran-4-ylcarbazol-3-yl)-9-[9-(2,3,4,5,6-pentadeuteriophenyl)dibenzofuran-2-yl]carbazole?
3-(9-dibenzofuran-4-ylcarbazol-3-yl)-9-[9-(2,3,4,5,6-pentadeuteriophenyl)dibenzofuran-2-yl]carbazole has a molecular weight of 745.89 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-(9-dibenzofuran-4-ylcarbazol-3-yl)-9-[9-(2,3,4,5,6-pentadeuteriophenyl)dibenzofuran-2-yl]carbazole is sourced from PubChem (CID 177077333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).