3,6-bis[3,5-bis[4-(trifluoromethyl)phenyl]phenyl]-9-[2-(trifluoromethyl)phenyl]carbazole

C59H32F15N — CID 170285384

IUPAC3,6-bis[3,5-bis[4-(trifluoromethyl)phenyl]phenyl]-9-[2-(trifluoromethyl)phenyl]carbazole
SMILESFC(F)(F)c1ccc(-c2cc(-c3ccc(C(F)(F)F)cc3)cc(-c3ccc4c(c3)c3cc(-c5cc(-c6ccc(C(F)(F)F)cc6)cc(-c6ccc(C(F)(F)F)cc6)c5)ccc3n4-c3ccccc3C(F)(F)F)c2)cc1
InChIInChI=1S/C59H32F15N/c60-55(61,62)45-15-5-33(6-16-45)39-25-40(34-7-17-46(18-8-34)56(63,64)65)28-43(27-39)37-13-23-52-49(31-37)50-32-38(14-24-53(50)75(52)54-4-2-1-3-51(54)59(72,73)74)44-29-41(35-9-19-47(20-10-35)57(66,67)68)26-42(30-44)36-11-21-48(22-12-36)58(69,70)71/h1-32H
InChIKeyVDTVVAQYTVTZPY-UHFFFAOYSA-N
MW1039.88 g/mol
LogP19.88
Rot. Bonds7

About 3,6-bis[3,5-bis[4-(trifluoromethyl)phenyl]phenyl]-9-[2-(trifluoromethyl)phenyl]carbazole

3,6-bis[3,5-bis[4-(trifluoromethyl)phenyl]phenyl]-9-[2-(trifluoromethyl)phenyl]carbazole (PubChem CID 170285384) has the molecular formula C59H32F15N and a molecular weight of 1039.88 g/mol. Its IUPAC name is 3,6-bis[3,5-bis[4-(trifluoromethyl)phenyl]phenyl]-9-[2-(trifluoromethyl)phenyl]carbazole.

Molecular Properties

Compound Name3,6-bis[3,5-bis[4-(trifluoromethyl)phenyl]phenyl]-9-[2-(trifluoromethyl)phenyl]carbazole
PubChem CID170285384
Molecular FormulaC59H32F15N
Molecular Weight1039.88 g/mol
Exact Mass1039.23
IUPAC Name3,6-bis[3,5-bis[4-(trifluoromethyl)phenyl]phenyl]-9-[2-(trifluoromethyl)phenyl]carbazole
SMILESFC(F)(F)c1ccc(-c2cc(-c3ccc(C(F)(F)F)cc3)cc(-c3ccc4c(c3)c3cc(-c5cc(-c6ccc(C(F)(F)F)cc6)cc(-c6ccc(C(F)(F)F)cc6)c5)ccc3n4-c3ccccc3C(F)(F)F)c2)cc1
InChIInChI=1S/C59H32F15N/c60-55(61,62)45-15-5-33(6-16-45)39-25-40(34-7-17-46(18-8-34)56(63,64)65)28-43(27-39)37-13-23-52-49(31-37)50-32-38(14-24-53(50)75(52)54-4-2-1-3-51(54)59(72,73)74)44-29-41(35-9-19-47(20-10-35)57(66,67)68)26-42(30-44)36-11-21-48(22-12-36)58(69,70)71/h1-32H
InChIKeyVDTVVAQYTVTZPY-UHFFFAOYSA-N
XLogP19.88
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms75
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001039.88
LogP ≤ 519.88
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
9-[2,5-bis(trifluoromethyl)phenyl]-3,6-diphenylcarbazole
CID 122431504
3,6-bis[3,5-bis[3,4,5-tris(trifluoromethyl)phenyl]phenyl]-9-(2-tert-butylphenyl)carbazole
CID 170285666
3,6-bis[3,5-bis(2-propan-2-ylphenyl)phenyl]-9-[2-(trifluoromethyl)phenyl]carbazole
CID 169284860
9-[5-[3-[2,7-bis[4-(trifluoromethyl)phenyl]carbazol-9-yl]-4-(trifluoromethyl)phenyl]-2-(trifluoromethyl)phenyl]-2,7-bis[4-(trifluoromethyl)phenyl]carbazole
CID 147940441
3,6-bis[3,5-bis[3,5-bis(trifluoromethyl)phenyl]phenyl]-9-(2-phenylphenyl)carbazole
CID 170285922
9-(2-tert-butylphenyl)-3,6-bis[3-(2-methylphenyl)-5-[2-(trifluoromethyl)phenyl]phenyl]carbazole
CID 170283688
9-[2-fluoro-5-(trifluoromethyl)phenyl]-3,6-diphenylcarbazole
CID 122431493
3,6-bis[3,5-bis(3,5-ditert-butylphenyl)phenyl]-9-[2-[3,5-bis(trifluoromethyl)phenyl]phenyl]carbazole
CID 169284714
3-[3-[3,5-bis(trifluoromethyl)phenyl]-5-[3-methyl-5-(trifluoromethyl)phenyl]phenyl]-6-[3-(3,5-dimethylphenyl)-5-[3-methyl-5-(trifluoromethyl)phenyl]phenyl]-9-(2-methylphenyl)carbazole
CID 170283658
9-[2,5-bis(trifluoromethyl)phenyl]carbazole
CID 122431295
3,6-bis[3-(2-methylphenyl)-5-[2-(trifluoromethyl)phenyl]phenyl]-9-(2-phenylphenyl)carbazole
CID 170283720

Frequently Asked Questions

What is the IUPAC name of 3,6-bis[3,5-bis[4-(trifluoromethyl)phenyl]phenyl]-9-[2-(trifluoromethyl)phenyl]carbazole?
The IUPAC name of 3,6-bis[3,5-bis[4-(trifluoromethyl)phenyl]phenyl]-9-[2-(trifluoromethyl)phenyl]carbazole (CID 170285384) is 3,6-bis[3,5-bis[4-(trifluoromethyl)phenyl]phenyl]-9-[2-(trifluoromethyl)phenyl]carbazole.
What is the SMILES notation for 3,6-bis[3,5-bis[4-(trifluoromethyl)phenyl]phenyl]-9-[2-(trifluoromethyl)phenyl]carbazole?
The canonical SMILES for 3,6-bis[3,5-bis[4-(trifluoromethyl)phenyl]phenyl]-9-[2-(trifluoromethyl)phenyl]carbazole is FC(F)(F)c1ccc(-c2cc(-c3ccc(C(F)(F)F)cc3)cc(-c3ccc4c(c3)c3cc(-c5cc(-c6ccc(C(F)(F)F)cc6)cc(-c6ccc(C(F)(F)F)cc6)c5)ccc3n4-c3ccccc3C(F)(F)F)c2)cc1.
What is the InChIKey of 3,6-bis[3,5-bis[4-(trifluoromethyl)phenyl]phenyl]-9-[2-(trifluoromethyl)phenyl]carbazole?
The InChIKey is VDTVVAQYTVTZPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C59H32F15N/c60-55(61,62)45-15-5-33(6-16-45)39-25-40(34-7-17-46(18-8-34)56(63,64)65)28-43(27-39)37-13-23-52-49(31-37)50-32-38(14-24-53(50)75(52)54-4-2-1-3-51(54)59(72,73)74)44-29-41(35-9-19-47(20-10-35)57(66,67)68)26-42(30-44)36-11-21-48(22-12-36)58(69,70)71/h1-32H.
What are the key properties of 3,6-bis[3,5-bis[4-(trifluoromethyl)phenyl]phenyl]-9-[2-(trifluoromethyl)phenyl]carbazole?
3,6-bis[3,5-bis[4-(trifluoromethyl)phenyl]phenyl]-9-[2-(trifluoromethyl)phenyl]carbazole has a molecular weight of 1039.88 g/mol, XLogP of 19.88, 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[4-(trifluoromethyl)phenyl]phenyl]-9-[2-(trifluoromethyl)phenyl]carbazole is sourced from PubChem (CID 170285384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).