3,6-bis[3,5-bis(2-deuteriophenyl)phenyl]-9-(2-fluorophenyl)carbazole

C54H36FN — CID 169284873

IUPAC3,6-bis[3,5-bis(2-deuteriophenyl)phenyl]-9-(2-fluorophenyl)carbazole
SMILES[2H]c1ccccc1-c1cc(-c2ccc3c(c2)c2cc(-c4cc(-c5ccccc5[2H])cc(-c5ccccc5[2H])c4)ccc2n3-c2ccccc2F)cc(-c2ccccc2[2H])c1
InChIInChI=1S/C54H36FN/c55-51-23-13-14-24-54(51)56-52-27-25-41(47-31-43(37-15-5-1-6-16-37)29-44(32-47)38-17-7-2-8-18-38)35-49(52)50-36-42(26-28-53(50)56)48-33-45(39-19-9-3-10-20-39)30-46(34-48)40-21-11-4-12-22-40/h1-36H/i15D,17D,19D,21D
InChIKeyNJOJDGAAGBQLOW-AEQKFDLZSA-N
MW721.91 g/mol
LogP14.92
Rot. Bonds7

About 3,6-bis[3,5-bis(2-deuteriophenyl)phenyl]-9-(2-fluorophenyl)carbazole

3,6-bis[3,5-bis(2-deuteriophenyl)phenyl]-9-(2-fluorophenyl)carbazole (PubChem CID 169284873) has the molecular formula C54H36FN and a molecular weight of 721.91 g/mol. Its IUPAC name is 3,6-bis[3,5-bis(2-deuteriophenyl)phenyl]-9-(2-fluorophenyl)carbazole.

Molecular Properties

Compound Name3,6-bis[3,5-bis(2-deuteriophenyl)phenyl]-9-(2-fluorophenyl)carbazole
PubChem CID169284873
Molecular FormulaC54H36FN
Molecular Weight721.91 g/mol
Exact Mass721.31
IUPAC Name3,6-bis[3,5-bis(2-deuteriophenyl)phenyl]-9-(2-fluorophenyl)carbazole
SMILES[2H]c1ccccc1-c1cc(-c2ccc3c(c2)c2cc(-c4cc(-c5ccccc5[2H])cc(-c5ccccc5[2H])c4)ccc2n3-c2ccccc2F)cc(-c2ccccc2[2H])c1
InChIInChI=1S/C54H36FN/c55-51-23-13-14-24-54(51)56-52-27-25-41(47-31-43(37-15-5-1-6-16-37)29-44(32-47)38-17-7-2-8-18-38)35-49(52)50-36-42(26-28-53(50)56)48-33-45(39-19-9-3-10-20-39)30-46(34-48)40-21-11-4-12-22-40/h1-36H/i15D,17D,19D,21D
InChIKeyNJOJDGAAGBQLOW-AEQKFDLZSA-N
XLogP14.92
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500721.91
LogP ≤ 514.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3,6-bis(3,5-difluorophenyl)-9-(2-phenylphenyl)carbazole
CID 169284749
3,6-bis(3,5-diphenylphenyl)-9-[2-(trifluoromethyl)phenyl]carbazole
CID 170283657
9-[2-fluoro-5-(trifluoromethyl)phenyl]-3,6-diphenylcarbazole
CID 122431493
3,6-bis(3,5-dichlorophenyl)-9-[2-(2-fluorophenyl)phenyl]carbazole
CID 169284801
2-[3,6-bis[3,5-bis(4-deuteriophenyl)phenyl]carbazol-9-yl]benzonitrile
CID 169284925
3,6-bis[3,5-bis[3,5-bis(trifluoromethyl)phenyl]phenyl]-9-(2-phenylphenyl)carbazole
CID 170285922
3-[9-[3,5-bis(2-fluorophenyl)phenyl]carbazol-3-yl]-9-(2-fluorophenyl)carbazole;9-[3,5-bis(2-methylphenyl)phenyl]-3-(4-carbazol-9-ylphenyl)carbazole;3-[9-[3-(4-methylphenyl)-5-phenylphenyl]carbazol-3-yl]-9-phenylcarbazole
CID 158544568
3-[9-(2-phenylphenyl)carbazol-3-yl]-9-[2-[4-[4-[3-[3-[4-(4-phenylphenyl)phenyl]phenyl]phenyl]phenyl]phenyl]phenyl]carbazole
CID 154590713
9-[3-(3,5-diphenylphenyl)phenyl]-3,6-diphenylcarbazole
CID 166509860
9-phenyl-3-(3-phenylphenyl)-6-[4-[9-phenyl-6-(3-phenylphenyl)carbazol-3-yl]phenyl]carbazole
CID 129054646
3,9-diphenyl-6-[3-(9-phenylcarbazol-3-yl)-5-(4-phenylphenyl)phenyl]carbazole
CID 122492191
9-[4-(3,5-diphenylphenyl)phenyl]-3-phenyl-6-[9-(4-phenylphenyl)carbazol-3-yl]carbazole
CID 118231210

Frequently Asked Questions

What is the IUPAC name of 3,6-bis[3,5-bis(2-deuteriophenyl)phenyl]-9-(2-fluorophenyl)carbazole?
The IUPAC name of 3,6-bis[3,5-bis(2-deuteriophenyl)phenyl]-9-(2-fluorophenyl)carbazole (CID 169284873) is 3,6-bis[3,5-bis(2-deuteriophenyl)phenyl]-9-(2-fluorophenyl)carbazole.
What is the SMILES notation for 3,6-bis[3,5-bis(2-deuteriophenyl)phenyl]-9-(2-fluorophenyl)carbazole?
The canonical SMILES for 3,6-bis[3,5-bis(2-deuteriophenyl)phenyl]-9-(2-fluorophenyl)carbazole is [2H]c1ccccc1-c1cc(-c2ccc3c(c2)c2cc(-c4cc(-c5ccccc5[2H])cc(-c5ccccc5[2H])c4)ccc2n3-c2ccccc2F)cc(-c2ccccc2[2H])c1.
What is the InChIKey of 3,6-bis[3,5-bis(2-deuteriophenyl)phenyl]-9-(2-fluorophenyl)carbazole?
The InChIKey is NJOJDGAAGBQLOW-AEQKFDLZSA-N. The full InChI is InChI=1S/C54H36FN/c55-51-23-13-14-24-54(51)56-52-27-25-41(47-31-43(37-15-5-1-6-16-37)29-44(32-47)38-17-7-2-8-18-38)35-49(52)50-36-42(26-28-53(50)56)48-33-45(39-19-9-3-10-20-39)30-46(34-48)40-21-11-4-12-22-40/h1-36H/i15D,17D,19D,21D.
What are the key properties of 3,6-bis[3,5-bis(2-deuteriophenyl)phenyl]-9-(2-fluorophenyl)carbazole?
3,6-bis[3,5-bis(2-deuteriophenyl)phenyl]-9-(2-fluorophenyl)carbazole has a molecular weight of 721.91 g/mol, XLogP of 14.92, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-bis[3,5-bis(2-deuteriophenyl)phenyl]-9-(2-fluorophenyl)carbazole is sourced from PubChem (CID 169284873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).