3-(trifluoromethyl)-9-[3-(trifluoromethyl)phenyl]-6-[6-[6-(trifluoromethyl)-9-[3-(trifluoromethyl)phenyl]carbazol-3-yl]-9H-carbazol-3-yl]carbazole

C52H27F12N3 — CID 59307042

IUPAC3-(trifluoromethyl)-9-[3-(trifluoromethyl)phenyl]-6-[6-[6-(trifluoromethyl)-9-[3-(trifluoromethyl)phenyl]carbazol-3-yl]-9H-carbazol-3-yl]carbazole
SMILESFC(F)(F)c1cccc(-n2c3ccc(-c4ccc5[nH]c6ccc(-c7ccc8c(c7)c7cc(C(F)(F)F)ccc7n8-c7cccc(C(F)(F)F)c7)cc6c5c4)cc3c3cc(C(F)(F)F)ccc32)c1
InChIInChI=1S/C52H27F12N3/c53-49(54,55)31-3-1-5-35(23-31)66-45-15-9-29(21-39(45)41-25-33(51(59,60)61)11-17-47(41)66)27-7-13-43-37(19-27)38-20-28(8-14-44(38)65-43)30-10-16-46-40(22-30)42-26-34(52(62,63)64)12-18-48(42)67(46)36-6-2-4-32(24-36)50(56,57)58/h1-26,65H
InChIKeyBXMRDARDQFKDSH-UHFFFAOYSA-N
MW921.79 g/mol
LogP16.92
Rot. Bonds4

About 3-(trifluoromethyl)-9-[3-(trifluoromethyl)phenyl]-6-[6-[6-(trifluoromethyl)-9-[3-(trifluoromethyl)phenyl]carbazol-3-yl]-9H-carbazol-3-yl]carbazole

3-(trifluoromethyl)-9-[3-(trifluoromethyl)phenyl]-6-[6-[6-(trifluoromethyl)-9-[3-(trifluoromethyl)phenyl]carbazol-3-yl]-9H-carbazol-3-yl]carbazole (PubChem CID 59307042) has the molecular formula C52H27F12N3 and a molecular weight of 921.79 g/mol. Its IUPAC name is 3-(trifluoromethyl)-9-[3-(trifluoromethyl)phenyl]-6-[6-[6-(trifluoromethyl)-9-[3-(trifluoromethyl)phenyl]carbazol-3-yl]-9H-carbazol-3-yl]carbazole.

Molecular Properties

Compound Name3-(trifluoromethyl)-9-[3-(trifluoromethyl)phenyl]-6-[6-[6-(trifluoromethyl)-9-[3-(trifluoromethyl)phenyl]carbazol-3-yl]-9H-carbazol-3-yl]carbazole
PubChem CID59307042
Molecular FormulaC52H27F12N3
Molecular Weight921.79 g/mol
Exact Mass921.20
IUPAC Name3-(trifluoromethyl)-9-[3-(trifluoromethyl)phenyl]-6-[6-[6-(trifluoromethyl)-9-[3-(trifluoromethyl)phenyl]carbazol-3-yl]-9H-carbazol-3-yl]carbazole
SMILESFC(F)(F)c1cccc(-n2c3ccc(-c4ccc5[nH]c6ccc(-c7ccc8c(c7)c7cc(C(F)(F)F)ccc7n8-c7cccc(C(F)(F)F)c7)cc6c5c4)cc3c3cc(C(F)(F)F)ccc32)c1
InChIInChI=1S/C52H27F12N3/c53-49(54,55)31-3-1-5-35(23-31)66-45-15-9-29(21-39(45)41-25-33(51(59,60)61)11-17-47(41)66)27-7-13-43-37(19-27)38-20-28(8-14-44(38)65-43)30-10-16-46-40(22-30)42-26-34(52(62,63)64)12-18-48(42)67(46)36-6-2-4-32(24-36)50(56,57)58/h1-26,65H
InChIKeyBXMRDARDQFKDSH-UHFFFAOYSA-N
XLogP16.92
TPSA25.65 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms67
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500921.79
LogP ≤ 516.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(trifluoromethyl)-9-[3-(trifluoromethyl)phenyl]-6-[6-[6-(trifluoromethyl)-9-[3-(trifluoromethyl)phenyl]carbazol-3-yl]-9H-carbazol-3-yl]carbazole?
The IUPAC name of 3-(trifluoromethyl)-9-[3-(trifluoromethyl)phenyl]-6-[6-[6-(trifluoromethyl)-9-[3-(trifluoromethyl)phenyl]carbazol-3-yl]-9H-carbazol-3-yl]carbazole (CID 59307042) is 3-(trifluoromethyl)-9-[3-(trifluoromethyl)phenyl]-6-[6-[6-(trifluoromethyl)-9-[3-(trifluoromethyl)phenyl]carbazol-3-yl]-9H-carbazol-3-yl]carbazole.
What is the SMILES notation for 3-(trifluoromethyl)-9-[3-(trifluoromethyl)phenyl]-6-[6-[6-(trifluoromethyl)-9-[3-(trifluoromethyl)phenyl]carbazol-3-yl]-9H-carbazol-3-yl]carbazole?
The canonical SMILES for 3-(trifluoromethyl)-9-[3-(trifluoromethyl)phenyl]-6-[6-[6-(trifluoromethyl)-9-[3-(trifluoromethyl)phenyl]carbazol-3-yl]-9H-carbazol-3-yl]carbazole is FC(F)(F)c1cccc(-n2c3ccc(-c4ccc5[nH]c6ccc(-c7ccc8c(c7)c7cc(C(F)(F)F)ccc7n8-c7cccc(C(F)(F)F)c7)cc6c5c4)cc3c3cc(C(F)(F)F)ccc32)c1.
What is the InChIKey of 3-(trifluoromethyl)-9-[3-(trifluoromethyl)phenyl]-6-[6-[6-(trifluoromethyl)-9-[3-(trifluoromethyl)phenyl]carbazol-3-yl]-9H-carbazol-3-yl]carbazole?
The InChIKey is BXMRDARDQFKDSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H27F12N3/c53-49(54,55)31-3-1-5-35(23-31)66-45-15-9-29(21-39(45)41-25-33(51(59,60)61)11-17-47(41)66)27-7-13-43-37(19-27)38-20-28(8-14-44(38)65-43)30-10-16-46-40(22-30)42-26-34(52(62,63)64)12-18-48(42)67(46)36-6-2-4-32(24-36)50(56,57)58/h1-26,65H.
What are the key properties of 3-(trifluoromethyl)-9-[3-(trifluoromethyl)phenyl]-6-[6-[6-(trifluoromethyl)-9-[3-(trifluoromethyl)phenyl]carbazol-3-yl]-9H-carbazol-3-yl]carbazole?
3-(trifluoromethyl)-9-[3-(trifluoromethyl)phenyl]-6-[6-[6-(trifluoromethyl)-9-[3-(trifluoromethyl)phenyl]carbazol-3-yl]-9H-carbazol-3-yl]carbazole has a molecular weight of 921.79 g/mol, XLogP of 16.92, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(trifluoromethyl)-9-[3-(trifluoromethyl)phenyl]-6-[6-[6-(trifluoromethyl)-9-[3-(trifluoromethyl)phenyl]carbazol-3-yl]-9H-carbazol-3-yl]carbazole is sourced from PubChem (CID 59307042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).