4-[4-[2,5-bis(trifluoromethyl)phenyl]-5-carbazol-9-ylnaphthalen-1-yl]-9-[8-[2,5-bis(trifluoromethyl)phenyl]naphthalen-1-yl]carbazole

C60H32F12N2 — CID 146638447

IUPAC4-[4-[2,5-bis(trifluoromethyl)phenyl]-5-carbazol-9-ylnaphthalen-1-yl]-9-[8-[2,5-bis(trifluoromethyl)phenyl]naphthalen-1-yl]carbazole
SMILESFC(F)(F)c1ccc(C(F)(F)F)c(-c2cccc3cccc(-n4c5ccccc5c5c(-c6ccc(-c7cc(C(F)(F)F)ccc7C(F)(F)F)c7c(-n8c9ccccc9c9ccccc98)cccc67)cccc54)c23)c1
InChIInChI=1S/C60H32F12N2/c61-57(62,63)34-25-29-46(59(67,68)69)44(31-34)41-16-7-11-33-12-8-22-51(54(33)41)74-50-21-6-3-15-43(50)56-40(18-10-24-53(56)74)36-27-28-42(45-32-35(58(64,65)66)26-30-47(45)60(70,71)72)55-39(36)17-9-23-52(55)73-48-19-4-1-13-37(48)38-14-2-5-20-49(38)73/h1-32H
InChIKeyLUZYJJGETCDDFG-UHFFFAOYSA-N
MW1008.91 g/mol
LogP19.26
Rot. Bonds5

About 4-[4-[2,5-bis(trifluoromethyl)phenyl]-5-carbazol-9-ylnaphthalen-1-yl]-9-[8-[2,5-bis(trifluoromethyl)phenyl]naphthalen-1-yl]carbazole

4-[4-[2,5-bis(trifluoromethyl)phenyl]-5-carbazol-9-ylnaphthalen-1-yl]-9-[8-[2,5-bis(trifluoromethyl)phenyl]naphthalen-1-yl]carbazole (PubChem CID 146638447) has the molecular formula C60H32F12N2 and a molecular weight of 1008.91 g/mol. Its IUPAC name is 4-[4-[2,5-bis(trifluoromethyl)phenyl]-5-carbazol-9-ylnaphthalen-1-yl]-9-[8-[2,5-bis(trifluoromethyl)phenyl]naphthalen-1-yl]carbazole.

Molecular Properties

Compound Name4-[4-[2,5-bis(trifluoromethyl)phenyl]-5-carbazol-9-ylnaphthalen-1-yl]-9-[8-[2,5-bis(trifluoromethyl)phenyl]naphthalen-1-yl]carbazole
PubChem CID146638447
Molecular FormulaC60H32F12N2
Molecular Weight1008.91 g/mol
Exact Mass1008.24
IUPAC Name4-[4-[2,5-bis(trifluoromethyl)phenyl]-5-carbazol-9-ylnaphthalen-1-yl]-9-[8-[2,5-bis(trifluoromethyl)phenyl]naphthalen-1-yl]carbazole
SMILESFC(F)(F)c1ccc(C(F)(F)F)c(-c2cccc3cccc(-n4c5ccccc5c5c(-c6ccc(-c7cc(C(F)(F)F)ccc7C(F)(F)F)c7c(-n8c9ccccc9c9ccccc98)cccc67)cccc54)c23)c1
InChIInChI=1S/C60H32F12N2/c61-57(62,63)34-25-29-46(59(67,68)69)44(31-34)41-16-7-11-33-12-8-22-51(54(33)41)74-50-21-6-3-15-43(50)56-40(18-10-24-53(56)74)36-27-28-42(45-32-35(58(64,65)66)26-30-47(45)60(70,71)72)55-39(36)17-9-23-52(55)73-48-19-4-1-13-37(48)38-14-2-5-20-49(38)73/h1-32H
InChIKeyLUZYJJGETCDDFG-UHFFFAOYSA-N
XLogP19.26
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms74
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001008.91
LogP ≤ 519.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

9-[2,5-bis(trifluoromethyl)phenyl]carbazole
CID 122431295
9-[2-carbazol-9-yl-4-[4,5-di(carbazol-9-yl)-2-(trifluoromethyl)phenyl]-5-(trifluoromethyl)phenyl]carbazole
CID 166982249
9-[4-carbazol-9-yl-2,5-bis(trifluoromethyl)phenyl]carbazole
CID 135136219
11-(4-fluoranthen-3-ylnaphthalen-1-yl)-11-azahexacyclo[13.7.1.02,14.04,12.05,10.019,23]tricosa-1(22),2(14),3,5,7,9,12,15,17,19(23),20-undecaene
CID 118580861
3-(trifluoromethyl)-9-[4-(trifluoromethyl)-2-[3-(trifluoromethyl)carbazol-9-yl]-5-[3-(trifluoromethyl)phenyl]phenyl]carbazole
CID 162610974
2-[2,4-bis(trifluoromethyl)phenyl]-4,5-bis[2-(trifluoromethyl)carbazol-9-yl]benzonitrile
CID 134473580
3-[2,4-bis(trifluoromethyl)phenyl]-9-[2-(2-carbazol-9-ylphenyl)-3-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazole
CID 155463376
4-[4,5-bis[2,4-bis(trifluoromethyl)phenyl]carbazol-9-yl]-2-phenylisoindole-1,3-dione
CID 134239969
2-[2,4-bis(trifluoromethyl)phenyl]-9-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-[2-(trifluoromethyl)phenyl]phenyl]carbazole
CID 138486474
5-[2-[4-[2-(12,12-dimethylindeno[1,2-c]carbazol-5-yl)-5-(trifluoromethyl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]-4-(trifluoromethyl)phenyl]-12,12-dimethylindeno[1,2-c]carbazole
CID 138712666
4-carbazol-9-yl-9-[3,5-di(carbazol-9-yl)phenyl]carbazole
CID 134352687
9-[2-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-[3-(trifluoromethyl)carbazol-9-yl]phenyl]-3-(trifluoromethyl)phenyl]-3-(trifluoromethyl)carbazole
CID 138554823

Frequently Asked Questions

What is the IUPAC name of 4-[4-[2,5-bis(trifluoromethyl)phenyl]-5-carbazol-9-ylnaphthalen-1-yl]-9-[8-[2,5-bis(trifluoromethyl)phenyl]naphthalen-1-yl]carbazole?
The IUPAC name of 4-[4-[2,5-bis(trifluoromethyl)phenyl]-5-carbazol-9-ylnaphthalen-1-yl]-9-[8-[2,5-bis(trifluoromethyl)phenyl]naphthalen-1-yl]carbazole (CID 146638447) is 4-[4-[2,5-bis(trifluoromethyl)phenyl]-5-carbazol-9-ylnaphthalen-1-yl]-9-[8-[2,5-bis(trifluoromethyl)phenyl]naphthalen-1-yl]carbazole.
What is the SMILES notation for 4-[4-[2,5-bis(trifluoromethyl)phenyl]-5-carbazol-9-ylnaphthalen-1-yl]-9-[8-[2,5-bis(trifluoromethyl)phenyl]naphthalen-1-yl]carbazole?
The canonical SMILES for 4-[4-[2,5-bis(trifluoromethyl)phenyl]-5-carbazol-9-ylnaphthalen-1-yl]-9-[8-[2,5-bis(trifluoromethyl)phenyl]naphthalen-1-yl]carbazole is FC(F)(F)c1ccc(C(F)(F)F)c(-c2cccc3cccc(-n4c5ccccc5c5c(-c6ccc(-c7cc(C(F)(F)F)ccc7C(F)(F)F)c7c(-n8c9ccccc9c9ccccc98)cccc67)cccc54)c23)c1.
What is the InChIKey of 4-[4-[2,5-bis(trifluoromethyl)phenyl]-5-carbazol-9-ylnaphthalen-1-yl]-9-[8-[2,5-bis(trifluoromethyl)phenyl]naphthalen-1-yl]carbazole?
The InChIKey is LUZYJJGETCDDFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H32F12N2/c61-57(62,63)34-25-29-46(59(67,68)69)44(31-34)41-16-7-11-33-12-8-22-51(54(33)41)74-50-21-6-3-15-43(50)56-40(18-10-24-53(56)74)36-27-28-42(45-32-35(58(64,65)66)26-30-47(45)60(70,71)72)55-39(36)17-9-23-52(55)73-48-19-4-1-13-37(48)38-14-2-5-20-49(38)73/h1-32H.
What are the key properties of 4-[4-[2,5-bis(trifluoromethyl)phenyl]-5-carbazol-9-ylnaphthalen-1-yl]-9-[8-[2,5-bis(trifluoromethyl)phenyl]naphthalen-1-yl]carbazole?
4-[4-[2,5-bis(trifluoromethyl)phenyl]-5-carbazol-9-ylnaphthalen-1-yl]-9-[8-[2,5-bis(trifluoromethyl)phenyl]naphthalen-1-yl]carbazole has a molecular weight of 1008.91 g/mol, XLogP of 19.26, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[2,5-bis(trifluoromethyl)phenyl]-5-carbazol-9-ylnaphthalen-1-yl]-9-[8-[2,5-bis(trifluoromethyl)phenyl]naphthalen-1-yl]carbazole is sourced from PubChem (CID 146638447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).