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

C64H34F12N4 — CID 170221633

IUPAC9-[5-carbazol-9-yl-3-[3,5-di(carbazol-9-yl)-2,6-bis(trifluoromethyl)phenyl]-2,4-bis(trifluoromethyl)phenyl]carbazole
SMILESFC(F)(F)c1c(-n2c3ccccc3c3ccccc32)cc(-n2c3ccccc3c3ccccc32)c(C(F)(F)F)c1-c1c(C(F)(F)F)c(-n2c3ccccc3c3ccccc32)cc(-n2c3ccccc3c3ccccc32)c1C(F)(F)F
InChIInChI=1S/C64H34F12N4/c65-61(66,67)57-51(77-43-25-9-1-17-35(43)36-18-2-10-26-44(36)77)33-52(78-45-27-11-3-19-37(45)38-20-4-12-28-46(38)78)58(62(68,69)70)55(57)56-59(63(71,72)73)53(79-47-29-13-5-21-39(47)40-22-6-14-30-48(40)79)34-54(60(56)64(74,75)76)80-49-31-15-7-23-41(49)42-24-8-16-32-50(42)80/h1-34H
InChIKeyBOFUUEJUYVAOCD-UHFFFAOYSA-N
MW1086.98 g/mol
LogP19.82
Rot. Bonds5

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

9-[5-carbazol-9-yl-3-[3,5-di(carbazol-9-yl)-2,6-bis(trifluoromethyl)phenyl]-2,4-bis(trifluoromethyl)phenyl]carbazole (PubChem CID 170221633) has the molecular formula C64H34F12N4 and a molecular weight of 1086.98 g/mol. Its IUPAC name is 9-[5-carbazol-9-yl-3-[3,5-di(carbazol-9-yl)-2,6-bis(trifluoromethyl)phenyl]-2,4-bis(trifluoromethyl)phenyl]carbazole.

Molecular Properties

Compound Name9-[5-carbazol-9-yl-3-[3,5-di(carbazol-9-yl)-2,6-bis(trifluoromethyl)phenyl]-2,4-bis(trifluoromethyl)phenyl]carbazole
PubChem CID170221633
Molecular FormulaC64H34F12N4
Molecular Weight1086.98 g/mol
Exact Mass1086.26
IUPAC Name9-[5-carbazol-9-yl-3-[3,5-di(carbazol-9-yl)-2,6-bis(trifluoromethyl)phenyl]-2,4-bis(trifluoromethyl)phenyl]carbazole
SMILESFC(F)(F)c1c(-n2c3ccccc3c3ccccc32)cc(-n2c3ccccc3c3ccccc32)c(C(F)(F)F)c1-c1c(C(F)(F)F)c(-n2c3ccccc3c3ccccc32)cc(-n2c3ccccc3c3ccccc32)c1C(F)(F)F
InChIInChI=1S/C64H34F12N4/c65-61(66,67)57-51(77-43-25-9-1-17-35(43)36-18-2-10-26-44(36)77)33-52(78-45-27-11-3-19-37(45)38-20-4-12-28-46(38)78)58(62(68,69)70)55(57)56-59(63(71,72)73)53(79-47-29-13-5-21-39(47)40-22-6-14-30-48(40)79)34-54(60(56)64(74,75)76)80-49-31-15-7-23-41(49)42-24-8-16-32-50(42)80/h1-34H
InChIKeyBOFUUEJUYVAOCD-UHFFFAOYSA-N
XLogP19.82
TPSA19.72 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms80
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001086.98
LogP ≤ 519.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

9-[4-carbazol-9-yl-2,5-bis(trifluoromethyl)phenyl]carbazole
CID 135136219
5-[3,5-di(carbazol-9-yl)-4-(trifluoromethyl)phenyl]benzene-1,3-dicarbonitrile
CID 139538793
2,3,5-tri(carbazol-9-yl)-4-(trifluoromethyl)benzonitrile
CID 169287478
9-[2-carbazol-9-yl-4-[4,5-di(carbazol-9-yl)-2-(trifluoromethyl)phenyl]-5-(trifluoromethyl)phenyl]carbazole
CID 166982249
9-[3-carbazol-9-yl-5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-(trifluoromethyl)phenyl]carbazole
CID 134321059
5-[3,5-bis(3-cyanocarbazol-9-yl)-4-(trifluoromethyl)phenyl]benzene-1,3-dicarbonitrile
CID 162612245
5-[3,5-bis[2,7-di(carbazol-9-yl)carbazol-9-yl]-4-(trifluoromethyl)phenyl]benzene-1,3-dicarbonitrile
CID 162612242
9-[3-carbazol-9-yl-5-(2,6-diphenylpyrimidin-4-yl)-2-(trifluoromethyl)phenyl]carbazole
CID 139419692
5-[3,5-bis(2-methylcarbazol-9-yl)-4-(trifluoromethyl)phenyl]benzene-1,3-dicarbonitrile
CID 162612235
9-[2,5-bis(trifluoromethyl)phenyl]carbazole
CID 122431295
9-[2-carbazol-9-yl-4-[4,5-di(carbazol-9-yl)-2-methylphenyl]-5-(trifluoromethyl)phenyl]carbazole
CID 170274139
2-(4,6-dimethyl-1,3,5-triazin-2-yl)-9-[5-(4,6-dimethyl-1,3,5-triazin-2-yl)-3-[2-(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-2-(trifluoromethyl)phenyl]carbazole
CID 134321401

Frequently Asked Questions

What is the IUPAC name of 9-[5-carbazol-9-yl-3-[3,5-di(carbazol-9-yl)-2,6-bis(trifluoromethyl)phenyl]-2,4-bis(trifluoromethyl)phenyl]carbazole?
The IUPAC name of 9-[5-carbazol-9-yl-3-[3,5-di(carbazol-9-yl)-2,6-bis(trifluoromethyl)phenyl]-2,4-bis(trifluoromethyl)phenyl]carbazole (CID 170221633) is 9-[5-carbazol-9-yl-3-[3,5-di(carbazol-9-yl)-2,6-bis(trifluoromethyl)phenyl]-2,4-bis(trifluoromethyl)phenyl]carbazole.
What is the SMILES notation for 9-[5-carbazol-9-yl-3-[3,5-di(carbazol-9-yl)-2,6-bis(trifluoromethyl)phenyl]-2,4-bis(trifluoromethyl)phenyl]carbazole?
The canonical SMILES for 9-[5-carbazol-9-yl-3-[3,5-di(carbazol-9-yl)-2,6-bis(trifluoromethyl)phenyl]-2,4-bis(trifluoromethyl)phenyl]carbazole is FC(F)(F)c1c(-n2c3ccccc3c3ccccc32)cc(-n2c3ccccc3c3ccccc32)c(C(F)(F)F)c1-c1c(C(F)(F)F)c(-n2c3ccccc3c3ccccc32)cc(-n2c3ccccc3c3ccccc32)c1C(F)(F)F.
What is the InChIKey of 9-[5-carbazol-9-yl-3-[3,5-di(carbazol-9-yl)-2,6-bis(trifluoromethyl)phenyl]-2,4-bis(trifluoromethyl)phenyl]carbazole?
The InChIKey is BOFUUEJUYVAOCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H34F12N4/c65-61(66,67)57-51(77-43-25-9-1-17-35(43)36-18-2-10-26-44(36)77)33-52(78-45-27-11-3-19-37(45)38-20-4-12-28-46(38)78)58(62(68,69)70)55(57)56-59(63(71,72)73)53(79-47-29-13-5-21-39(47)40-22-6-14-30-48(40)79)34-54(60(56)64(74,75)76)80-49-31-15-7-23-41(49)42-24-8-16-32-50(42)80/h1-34H.
What are the key properties of 9-[5-carbazol-9-yl-3-[3,5-di(carbazol-9-yl)-2,6-bis(trifluoromethyl)phenyl]-2,4-bis(trifluoromethyl)phenyl]carbazole?
9-[5-carbazol-9-yl-3-[3,5-di(carbazol-9-yl)-2,6-bis(trifluoromethyl)phenyl]-2,4-bis(trifluoromethyl)phenyl]carbazole has a molecular weight of 1086.98 g/mol, XLogP of 19.82, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[5-carbazol-9-yl-3-[3,5-di(carbazol-9-yl)-2,6-bis(trifluoromethyl)phenyl]-2,4-bis(trifluoromethyl)phenyl]carbazole is sourced from PubChem (CID 170221633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).