3-(trifluoromethyl)-9-[4-(trifluoromethyl)-2-[3-(trifluoromethyl)carbazol-9-yl]-5-[3-(trifluoromethyl)phenyl]phenyl]carbazole

C40H20F12N2 — CID 162610974

IUPAC3-(trifluoromethyl)-9-[4-(trifluoromethyl)-2-[3-(trifluoromethyl)carbazol-9-yl]-5-[3-(trifluoromethyl)phenyl]phenyl]carbazole
SMILESFC(F)(F)c1cccc(-c2cc(-n3c4ccccc4c4cc(C(F)(F)F)ccc43)c(-n3c4ccccc4c4cc(C(F)(F)F)ccc43)cc2C(F)(F)F)c1
InChIInChI=1S/C40H20F12N2/c41-37(42,43)22-7-5-6-21(16-22)27-19-35(53-31-10-3-1-8-25(31)28-17-23(38(44,45)46)12-14-33(28)53)36(20-30(27)40(50,51)52)54-32-11-4-2-9-26(32)29-18-24(39(47,48)49)13-15-34(29)54/h1-20H
InChIKeyHUUHFRZCJSGWOS-UHFFFAOYSA-N
MW756.59 g/mol
LogP13.62
Rot. Bonds3

About 3-(trifluoromethyl)-9-[4-(trifluoromethyl)-2-[3-(trifluoromethyl)carbazol-9-yl]-5-[3-(trifluoromethyl)phenyl]phenyl]carbazole

3-(trifluoromethyl)-9-[4-(trifluoromethyl)-2-[3-(trifluoromethyl)carbazol-9-yl]-5-[3-(trifluoromethyl)phenyl]phenyl]carbazole (PubChem CID 162610974) has the molecular formula C40H20F12N2 and a molecular weight of 756.59 g/mol. Its IUPAC name is 3-(trifluoromethyl)-9-[4-(trifluoromethyl)-2-[3-(trifluoromethyl)carbazol-9-yl]-5-[3-(trifluoromethyl)phenyl]phenyl]carbazole.

Molecular Properties

Compound Name3-(trifluoromethyl)-9-[4-(trifluoromethyl)-2-[3-(trifluoromethyl)carbazol-9-yl]-5-[3-(trifluoromethyl)phenyl]phenyl]carbazole
PubChem CID162610974
Molecular FormulaC40H20F12N2
Molecular Weight756.59 g/mol
Exact Mass756.14
IUPAC Name3-(trifluoromethyl)-9-[4-(trifluoromethyl)-2-[3-(trifluoromethyl)carbazol-9-yl]-5-[3-(trifluoromethyl)phenyl]phenyl]carbazole
SMILESFC(F)(F)c1cccc(-c2cc(-n3c4ccccc4c4cc(C(F)(F)F)ccc43)c(-n3c4ccccc4c4cc(C(F)(F)F)ccc43)cc2C(F)(F)F)c1
InChIInChI=1S/C40H20F12N2/c41-37(42,43)22-7-5-6-21(16-22)27-19-35(53-31-10-3-1-8-25(31)28-17-23(38(44,45)46)12-14-33(28)53)36(20-30(27)40(50,51)52)54-32-11-4-2-9-26(32)29-18-24(39(47,48)49)13-15-34(29)54/h1-20H
InChIKeyHUUHFRZCJSGWOS-UHFFFAOYSA-N
XLogP13.62
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500756.59
LogP ≤ 513.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-tert-butyl-9-[2-(2-tert-butylcarbazol-9-yl)-4-(trifluoromethyl)-5-[3-(trifluoromethyl)phenyl]phenyl]carbazole
CID 142501935
2-(4-methylphenyl)-9-[2-[2-(4-methylphenyl)carbazol-9-yl]-4-(trifluoromethyl)-5-[3-(trifluoromethyl)phenyl]phenyl]carbazole
CID 162610922
3-(2-phenyl-3-pyridinyl)-9-[2-[3-(2-phenyl-3-pyridinyl)carbazol-9-yl]-4-(trifluoromethyl)-5-[3-(trifluoromethyl)phenyl]phenyl]carbazole
CID 162611002
5-methyl-12-[2-(5-methylindolo[3,2-c]carbazol-12-yl)-4-(trifluoromethyl)-5-[3-(trifluoromethyl)phenyl]phenyl]indolo[3,2-c]carbazole
CID 142502095
2,6-bis[3-[2,4-bis(trifluoromethyl)phenyl]carbazol-9-yl]-4-[3-(trifluoromethyl)phenyl]benzonitrile
CID 142501960
9-[2-carbazol-9-yl-4-[4,5-di(carbazol-9-yl)-2-(trifluoromethyl)phenyl]-5-(trifluoromethyl)phenyl]carbazole
CID 166982249
2,6-bis[3-(trifluoromethyl)carbazol-9-yl]-4-[3-(trifluoromethyl)phenyl]benzonitrile
CID 162571728
5-[9-[5-(3-cyanophenyl)-2-[3-(3,5-dicyanophenyl)carbazol-9-yl]-4-(trifluoromethyl)phenyl]carbazol-3-yl]benzene-1,3-dicarbonitrile
CID 146238202
2-[2,4-bis(trifluoromethyl)phenyl]-4,5-bis(3-phenylcarbazol-9-yl)benzonitrile
CID 134473578
3-[2,5-bis(3-tert-butylcarbazol-9-yl)-4-(trifluoromethyl)phenyl]benzonitrile
CID 155377959
3-[2,4-bis(trifluoromethyl)phenyl]-9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2,6-bis[3-(trifluoromethyl)phenyl]phenyl]carbazole
CID 155447081
3-[2,6-bis[3-[2,4-bis(trifluoromethyl)phenyl]carbazol-9-yl]-4-(trifluoromethyl)phenyl]benzonitrile
CID 146238200

Frequently Asked Questions

What is the IUPAC name of 3-(trifluoromethyl)-9-[4-(trifluoromethyl)-2-[3-(trifluoromethyl)carbazol-9-yl]-5-[3-(trifluoromethyl)phenyl]phenyl]carbazole?
The IUPAC name of 3-(trifluoromethyl)-9-[4-(trifluoromethyl)-2-[3-(trifluoromethyl)carbazol-9-yl]-5-[3-(trifluoromethyl)phenyl]phenyl]carbazole (CID 162610974) is 3-(trifluoromethyl)-9-[4-(trifluoromethyl)-2-[3-(trifluoromethyl)carbazol-9-yl]-5-[3-(trifluoromethyl)phenyl]phenyl]carbazole.
What is the SMILES notation for 3-(trifluoromethyl)-9-[4-(trifluoromethyl)-2-[3-(trifluoromethyl)carbazol-9-yl]-5-[3-(trifluoromethyl)phenyl]phenyl]carbazole?
The canonical SMILES for 3-(trifluoromethyl)-9-[4-(trifluoromethyl)-2-[3-(trifluoromethyl)carbazol-9-yl]-5-[3-(trifluoromethyl)phenyl]phenyl]carbazole is FC(F)(F)c1cccc(-c2cc(-n3c4ccccc4c4cc(C(F)(F)F)ccc43)c(-n3c4ccccc4c4cc(C(F)(F)F)ccc43)cc2C(F)(F)F)c1.
What is the InChIKey of 3-(trifluoromethyl)-9-[4-(trifluoromethyl)-2-[3-(trifluoromethyl)carbazol-9-yl]-5-[3-(trifluoromethyl)phenyl]phenyl]carbazole?
The InChIKey is HUUHFRZCJSGWOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H20F12N2/c41-37(42,43)22-7-5-6-21(16-22)27-19-35(53-31-10-3-1-8-25(31)28-17-23(38(44,45)46)12-14-33(28)53)36(20-30(27)40(50,51)52)54-32-11-4-2-9-26(32)29-18-24(39(47,48)49)13-15-34(29)54/h1-20H.
What are the key properties of 3-(trifluoromethyl)-9-[4-(trifluoromethyl)-2-[3-(trifluoromethyl)carbazol-9-yl]-5-[3-(trifluoromethyl)phenyl]phenyl]carbazole?
3-(trifluoromethyl)-9-[4-(trifluoromethyl)-2-[3-(trifluoromethyl)carbazol-9-yl]-5-[3-(trifluoromethyl)phenyl]phenyl]carbazole has a molecular weight of 756.59 g/mol, XLogP of 13.62, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(trifluoromethyl)-9-[4-(trifluoromethyl)-2-[3-(trifluoromethyl)carbazol-9-yl]-5-[3-(trifluoromethyl)phenyl]phenyl]carbazole is sourced from PubChem (CID 162610974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).