9-[3,5-bis(6-deuteriodibenzofuran-2-yl)phenyl]carbazole

C42H25NO2 — CID 166046948

IUPAC9-[3,5-bis(6-deuteriodibenzofuran-2-yl)phenyl]carbazole
SMILES[2H]c1cccc2c1oc1ccc(-c3cc(-c4ccc5oc6c([2H])cccc6c5c4)cc(-n4c5ccccc5c5ccccc54)c3)cc12
InChIInChI=1S/C42H25NO2/c1-5-13-37-31(9-1)32-10-2-6-14-38(32)43(37)30-22-28(26-17-19-41-35(24-26)33-11-3-7-15-39(33)44-41)21-29(23-30)27-18-20-42-36(25-27)34-12-4-8-16-40(34)45-42/h1-25H/i15D,16D
InChIKeyWHMHUGLMCAFKFE-RAHXUVGXSA-N
MW577.68 g/mol
LogP11.92
Rot. Bonds3

About 9-[3,5-bis(6-deuteriodibenzofuran-2-yl)phenyl]carbazole

9-[3,5-bis(6-deuteriodibenzofuran-2-yl)phenyl]carbazole (PubChem CID 166046948) has the molecular formula C42H25NO2 and a molecular weight of 577.68 g/mol. Its IUPAC name is 9-[3,5-bis(6-deuteriodibenzofuran-2-yl)phenyl]carbazole.

Molecular Properties

Compound Name9-[3,5-bis(6-deuteriodibenzofuran-2-yl)phenyl]carbazole
PubChem CID166046948
Molecular FormulaC42H25NO2
Molecular Weight577.68 g/mol
Exact Mass577.20
IUPAC Name9-[3,5-bis(6-deuteriodibenzofuran-2-yl)phenyl]carbazole
SMILES[2H]c1cccc2c1oc1ccc(-c3cc(-c4ccc5oc6c([2H])cccc6c5c4)cc(-n4c5ccccc5c5ccccc54)c3)cc12
InChIInChI=1S/C42H25NO2/c1-5-13-37-31(9-1)32-10-2-6-14-38(32)43(37)30-22-28(26-17-19-41-35(24-26)33-11-3-7-15-39(33)44-41)21-29(23-30)27-18-20-42-36(25-27)34-12-4-8-16-40(34)45-42/h1-25H/i15D,16D
InChIKeyWHMHUGLMCAFKFE-RAHXUVGXSA-N
XLogP11.92
TPSA31.21 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500577.68
LogP ≤ 511.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

9-[3-[10-(7-dibenzofuran-2-yltriphenylen-2-yl)triphenylen-2-yl]-5-triphenylen-2-ylphenyl]carbazole
CID 155257341
9-[3-[3-[3-[3-[3-(3-dibenzofuran-2-ylphenyl)phenyl]phenyl]phenyl]phenyl]phenyl]carbazole
CID 90265507
3-(9-dibenzofuran-2-ylcarbazol-3-yl)-9-(3,5-diphenylphenyl)carbazole
CID 71100014
9-[4-(4-dibenzofuran-2-ylphenyl)phenyl]carbazole
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9-(4-dibenzofuran-2-ylphenyl)carbazole
CID 130326818
2-(3-dibenzofuran-2-yl-5-dibenzothiophen-2-ylphenyl)dibenzofuran;9-[3,5-di(dibenzofuran-2-yl)phenyl]carbazole;2-[3,5-di(dibenzothiophen-2-yl)phenyl]dibenzofuran
CID 162164697
9-[4-[8-(4-carbazol-9-ylphenyl)dibenzofuran-2-yl]phenyl]carbazole
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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-(3,5-diphenylphenyl)carbazole;ethane
CID 144605145
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
5-[3,5-di(dibenzofuran-2-yl)phenyl]-[1]benzofuro[3,2-c]carbazole
CID 171612138
9-[3-carbazol-9-yl-5-(2-dibenzofuran-2-ylphenyl)phenyl]carbazole
CID 155120118

Frequently Asked Questions

What is the IUPAC name of 9-[3,5-bis(6-deuteriodibenzofuran-2-yl)phenyl]carbazole?
The IUPAC name of 9-[3,5-bis(6-deuteriodibenzofuran-2-yl)phenyl]carbazole (CID 166046948) is 9-[3,5-bis(6-deuteriodibenzofuran-2-yl)phenyl]carbazole.
What is the SMILES notation for 9-[3,5-bis(6-deuteriodibenzofuran-2-yl)phenyl]carbazole?
The canonical SMILES for 9-[3,5-bis(6-deuteriodibenzofuran-2-yl)phenyl]carbazole is [2H]c1cccc2c1oc1ccc(-c3cc(-c4ccc5oc6c([2H])cccc6c5c4)cc(-n4c5ccccc5c5ccccc54)c3)cc12.
What is the InChIKey of 9-[3,5-bis(6-deuteriodibenzofuran-2-yl)phenyl]carbazole?
The InChIKey is WHMHUGLMCAFKFE-RAHXUVGXSA-N. The full InChI is InChI=1S/C42H25NO2/c1-5-13-37-31(9-1)32-10-2-6-14-38(32)43(37)30-22-28(26-17-19-41-35(24-26)33-11-3-7-15-39(33)44-41)21-29(23-30)27-18-20-42-36(25-27)34-12-4-8-16-40(34)45-42/h1-25H/i15D,16D.
What are the key properties of 9-[3,5-bis(6-deuteriodibenzofuran-2-yl)phenyl]carbazole?
9-[3,5-bis(6-deuteriodibenzofuran-2-yl)phenyl]carbazole has a molecular weight of 577.68 g/mol, XLogP of 11.92, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[3,5-bis(6-deuteriodibenzofuran-2-yl)phenyl]carbazole is sourced from PubChem (CID 166046948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).