3,6-bis[3,5-bis(2-propan-2-ylphenyl)phenyl]-9-[2-(trifluoromethyl)phenyl]carbazole

C67H60F3N — CID 169284860

IUPAC3,6-bis[3,5-bis(2-propan-2-ylphenyl)phenyl]-9-[2-(trifluoromethyl)phenyl]carbazole
SMILESCC(C)c1ccccc1-c1cc(-c2ccc3c(c2)c2cc(-c4cc(-c5ccccc5C(C)C)cc(-c5ccccc5C(C)C)c4)ccc2n3-c2ccccc2C(F)(F)F)cc(-c2ccccc2C(C)C)c1
InChIInChI=1S/C67H60F3N/c1-41(2)53-19-9-13-23-57(53)49-33-47(34-50(37-49)58-24-14-10-20-54(58)42(3)4)45-29-31-64-61(39-45)62-40-46(30-32-65(62)71(64)66-28-18-17-27-63(66)67(68,69)70)48-35-51(59-25-15-11-21-55(59)43(5)6)38-52(36-48)60-26-16-12-22-56(60)44(7)8/h9-44H,1-8H3
InChIKeyDNTKTNKDXFBRDF-UHFFFAOYSA-N
MW936.22 g/mol
LogP20.30
Rot. Bonds11

About 3,6-bis[3,5-bis(2-propan-2-ylphenyl)phenyl]-9-[2-(trifluoromethyl)phenyl]carbazole

3,6-bis[3,5-bis(2-propan-2-ylphenyl)phenyl]-9-[2-(trifluoromethyl)phenyl]carbazole (PubChem CID 169284860) has the molecular formula C67H60F3N and a molecular weight of 936.22 g/mol. Its IUPAC name is 3,6-bis[3,5-bis(2-propan-2-ylphenyl)phenyl]-9-[2-(trifluoromethyl)phenyl]carbazole.

Molecular Properties

Compound Name3,6-bis[3,5-bis(2-propan-2-ylphenyl)phenyl]-9-[2-(trifluoromethyl)phenyl]carbazole
PubChem CID169284860
Molecular FormulaC67H60F3N
Molecular Weight936.22 g/mol
Exact Mass935.47
IUPAC Name3,6-bis[3,5-bis(2-propan-2-ylphenyl)phenyl]-9-[2-(trifluoromethyl)phenyl]carbazole
SMILESCC(C)c1ccccc1-c1cc(-c2ccc3c(c2)c2cc(-c4cc(-c5ccccc5C(C)C)cc(-c5ccccc5C(C)C)c4)ccc2n3-c2ccccc2C(F)(F)F)cc(-c2ccccc2C(C)C)c1
InChIInChI=1S/C67H60F3N/c1-41(2)53-19-9-13-23-57(53)49-33-47(34-50(37-49)58-24-14-10-20-54(58)42(3)4)45-29-31-64-61(39-45)62-40-46(30-32-65(62)71(64)66-28-18-17-27-63(66)67(68,69)70)48-35-51(59-25-15-11-21-55(59)43(5)6)38-52(36-48)60-26-16-12-22-56(60)44(7)8/h9-44H,1-8H3
InChIKeyDNTKTNKDXFBRDF-UHFFFAOYSA-N
XLogP20.30
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms71
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500936.22
LogP ≤ 520.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3,6-bis(3,5-diphenylphenyl)-9-[2-(trifluoromethyl)phenyl]carbazole
CID 170283657
3,6-bis[3,5-bis[4-(trifluoromethyl)phenyl]phenyl]-9-[2-(trifluoromethyl)phenyl]carbazole
CID 170285384
9-(2-tert-butylphenyl)-3,6-bis[3-(2-methylphenyl)-5-[2-(trifluoromethyl)phenyl]phenyl]carbazole
CID 170283688
3,6-bis[3,5-bis[3,4,5-tris(trifluoromethyl)phenyl]phenyl]-9-(2-tert-butylphenyl)carbazole
CID 170285666
3,6-bis[3-(2-methylphenyl)-5-[2-(trifluoromethyl)phenyl]phenyl]-9-(2-phenylphenyl)carbazole
CID 170283720
3,6-bis[3,5-bis(3,5-ditert-butylphenyl)phenyl]-9-[2-[3,5-bis(trifluoromethyl)phenyl]phenyl]carbazole
CID 169284714
3,6-bis[3,5-bis[3,5-bis(trifluoromethyl)phenyl]phenyl]-9-(2-phenylphenyl)carbazole
CID 170285922
3,6-bis[3,5-bis(2-tert-butylphenyl)phenyl]-9-[2-(3,5-difluorophenyl)phenyl]carbazole
CID 169284758
9-phenyl-3-(9-phenylcarbazol-3-yl)-6-(2-propan-2-ylphenyl)carbazole
CID 123284746
9-[2,5-bis(trifluoromethyl)phenyl]-3,6-diphenylcarbazole
CID 122431504
9-[2-[3,5-bis(trifluoromethyl)phenyl]phenyl]-3,6-bis[3-methyl-5-(trifluoromethyl)phenyl]carbazole
CID 170283628
3,6-bis[3,5-bis[3-(trifluoromethyl)phenyl]phenyl]-9-[2-(3,5-ditert-butylphenyl)phenyl]carbazole
CID 170286520

Frequently Asked Questions

What is the IUPAC name of 3,6-bis[3,5-bis(2-propan-2-ylphenyl)phenyl]-9-[2-(trifluoromethyl)phenyl]carbazole?
The IUPAC name of 3,6-bis[3,5-bis(2-propan-2-ylphenyl)phenyl]-9-[2-(trifluoromethyl)phenyl]carbazole (CID 169284860) is 3,6-bis[3,5-bis(2-propan-2-ylphenyl)phenyl]-9-[2-(trifluoromethyl)phenyl]carbazole.
What is the SMILES notation for 3,6-bis[3,5-bis(2-propan-2-ylphenyl)phenyl]-9-[2-(trifluoromethyl)phenyl]carbazole?
The canonical SMILES for 3,6-bis[3,5-bis(2-propan-2-ylphenyl)phenyl]-9-[2-(trifluoromethyl)phenyl]carbazole is CC(C)c1ccccc1-c1cc(-c2ccc3c(c2)c2cc(-c4cc(-c5ccccc5C(C)C)cc(-c5ccccc5C(C)C)c4)ccc2n3-c2ccccc2C(F)(F)F)cc(-c2ccccc2C(C)C)c1.
What is the InChIKey of 3,6-bis[3,5-bis(2-propan-2-ylphenyl)phenyl]-9-[2-(trifluoromethyl)phenyl]carbazole?
The InChIKey is DNTKTNKDXFBRDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C67H60F3N/c1-41(2)53-19-9-13-23-57(53)49-33-47(34-50(37-49)58-24-14-10-20-54(58)42(3)4)45-29-31-64-61(39-45)62-40-46(30-32-65(62)71(64)66-28-18-17-27-63(66)67(68,69)70)48-35-51(59-25-15-11-21-55(59)43(5)6)38-52(36-48)60-26-16-12-22-56(60)44(7)8/h9-44H,1-8H3.
What are the key properties of 3,6-bis[3,5-bis(2-propan-2-ylphenyl)phenyl]-9-[2-(trifluoromethyl)phenyl]carbazole?
3,6-bis[3,5-bis(2-propan-2-ylphenyl)phenyl]-9-[2-(trifluoromethyl)phenyl]carbazole has a molecular weight of 936.22 g/mol, XLogP of 20.30, 11 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-propan-2-ylphenyl)phenyl]-9-[2-(trifluoromethyl)phenyl]carbazole is sourced from PubChem (CID 169284860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).