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

C62H36F6N4 — CID 166982249

IUPAC9-[2-carbazol-9-yl-4-[4,5-di(carbazol-9-yl)-2-(trifluoromethyl)phenyl]-5-(trifluoromethyl)phenyl]carbazole
SMILESFC(F)(F)c1cc(-n2c3ccccc3c3ccccc32)c(-n2c3ccccc3c3ccccc32)cc1-c1cc(-n2c3ccccc3c3ccccc32)c(-n2c3ccccc3c3ccccc32)cc1C(F)(F)F
InChIInChI=1S/C62H36F6N4/c63-61(64,65)47-35-59(71-53-29-13-5-21-41(53)42-22-6-14-30-54(42)71)57(69-49-25-9-1-17-37(49)38-18-2-10-26-50(38)69)33-45(47)46-34-58(70-51-27-11-3-19-39(51)40-20-4-12-28-52(40)70)60(36-48(46)62(66,67)68)72-55-31-15-7-23-43(55)44-24-8-16-32-56(44)72/h1-36H
InChIKeyNRLOEKNQCQMHDM-UHFFFAOYSA-N
MW950.99 g/mol
LogP17.78
Rot. Bonds5

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

9-[2-carbazol-9-yl-4-[4,5-di(carbazol-9-yl)-2-(trifluoromethyl)phenyl]-5-(trifluoromethyl)phenyl]carbazole (PubChem CID 166982249) has the molecular formula C62H36F6N4 and a molecular weight of 950.99 g/mol. Its IUPAC name is 9-[2-carbazol-9-yl-4-[4,5-di(carbazol-9-yl)-2-(trifluoromethyl)phenyl]-5-(trifluoromethyl)phenyl]carbazole.

Molecular Properties

Compound Name9-[2-carbazol-9-yl-4-[4,5-di(carbazol-9-yl)-2-(trifluoromethyl)phenyl]-5-(trifluoromethyl)phenyl]carbazole
PubChem CID166982249
Molecular FormulaC62H36F6N4
Molecular Weight950.99 g/mol
Exact Mass950.28
IUPAC Name9-[2-carbazol-9-yl-4-[4,5-di(carbazol-9-yl)-2-(trifluoromethyl)phenyl]-5-(trifluoromethyl)phenyl]carbazole
SMILESFC(F)(F)c1cc(-n2c3ccccc3c3ccccc32)c(-n2c3ccccc3c3ccccc32)cc1-c1cc(-n2c3ccccc3c3ccccc32)c(-n2c3ccccc3c3ccccc32)cc1C(F)(F)F
InChIInChI=1S/C62H36F6N4/c63-61(64,65)47-35-59(71-53-29-13-5-21-41(53)42-22-6-14-30-54(42)71)57(69-49-25-9-1-17-37(49)38-18-2-10-26-50(38)69)33-45(47)46-34-58(70-51-27-11-3-19-39(51)40-20-4-12-28-52(40)70)60(36-48(46)62(66,67)68)72-55-31-15-7-23-43(55)44-24-8-16-32-56(44)72/h1-36H
InChIKeyNRLOEKNQCQMHDM-UHFFFAOYSA-N
XLogP17.78
TPSA19.72 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms72
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500950.99
LogP ≤ 517.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

9-[2-carbazol-9-yl-4-[4,5-di(carbazol-9-yl)-2-methylphenyl]-5-(trifluoromethyl)phenyl]carbazole
CID 170274139
9-[4-carbazol-9-yl-2,5-bis(trifluoromethyl)phenyl]carbazole
CID 135136219
1-methyl-9-[2-(1-methylcarbazol-9-yl)-4-(trifluoromethyl)-5-[2-(trifluoromethyl)phenyl]phenyl]carbazole
CID 158794342
3-(trifluoromethyl)-9-[4-(trifluoromethyl)-2-[3-(trifluoromethyl)carbazol-9-yl]-5-[3-(trifluoromethyl)phenyl]phenyl]carbazole
CID 162610974
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
2-[2,4-bis(trifluoromethyl)phenyl]-4,5-bis[2-(trifluoromethyl)carbazol-9-yl]benzonitrile
CID 134473580
2-tert-butyl-9-[2-(2-tert-butylcarbazol-9-yl)-4-(trifluoromethyl)-5-[3-(trifluoromethyl)phenyl]phenyl]carbazole
CID 142501935
9-[2,5-bis(trifluoromethyl)phenyl]carbazole
CID 122431295
2-(4-methylphenyl)-9-[2-[2-(4-methylphenyl)carbazol-9-yl]-4-(trifluoromethyl)-5-[3-(trifluoromethyl)phenyl]phenyl]carbazole
CID 162610922
5-[9-[5-(3-cyanophenyl)-2-[2-(3,5-dicyanophenyl)carbazol-9-yl]-4-(trifluoromethyl)phenyl]carbazol-2-yl]benzene-1,3-dicarbonitrile
CID 146238206
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
9-[4-[2,4-bis(trifluoromethyl)phenyl]-5-cyano-2-(3-cyanocarbazol-9-yl)phenyl]carbazole-3-carbonitrile
CID 134473582

Frequently Asked Questions

What is the IUPAC name of 9-[2-carbazol-9-yl-4-[4,5-di(carbazol-9-yl)-2-(trifluoromethyl)phenyl]-5-(trifluoromethyl)phenyl]carbazole?
The IUPAC name of 9-[2-carbazol-9-yl-4-[4,5-di(carbazol-9-yl)-2-(trifluoromethyl)phenyl]-5-(trifluoromethyl)phenyl]carbazole (CID 166982249) is 9-[2-carbazol-9-yl-4-[4,5-di(carbazol-9-yl)-2-(trifluoromethyl)phenyl]-5-(trifluoromethyl)phenyl]carbazole.
What is the SMILES notation for 9-[2-carbazol-9-yl-4-[4,5-di(carbazol-9-yl)-2-(trifluoromethyl)phenyl]-5-(trifluoromethyl)phenyl]carbazole?
The canonical SMILES for 9-[2-carbazol-9-yl-4-[4,5-di(carbazol-9-yl)-2-(trifluoromethyl)phenyl]-5-(trifluoromethyl)phenyl]carbazole is FC(F)(F)c1cc(-n2c3ccccc3c3ccccc32)c(-n2c3ccccc3c3ccccc32)cc1-c1cc(-n2c3ccccc3c3ccccc32)c(-n2c3ccccc3c3ccccc32)cc1C(F)(F)F.
What is the InChIKey of 9-[2-carbazol-9-yl-4-[4,5-di(carbazol-9-yl)-2-(trifluoromethyl)phenyl]-5-(trifluoromethyl)phenyl]carbazole?
The InChIKey is NRLOEKNQCQMHDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C62H36F6N4/c63-61(64,65)47-35-59(71-53-29-13-5-21-41(53)42-22-6-14-30-54(42)71)57(69-49-25-9-1-17-37(49)38-18-2-10-26-50(38)69)33-45(47)46-34-58(70-51-27-11-3-19-39(51)40-20-4-12-28-52(40)70)60(36-48(46)62(66,67)68)72-55-31-15-7-23-43(55)44-24-8-16-32-56(44)72/h1-36H.
What are the key properties of 9-[2-carbazol-9-yl-4-[4,5-di(carbazol-9-yl)-2-(trifluoromethyl)phenyl]-5-(trifluoromethyl)phenyl]carbazole?
9-[2-carbazol-9-yl-4-[4,5-di(carbazol-9-yl)-2-(trifluoromethyl)phenyl]-5-(trifluoromethyl)phenyl]carbazole has a molecular weight of 950.99 g/mol, XLogP of 17.78, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[2-carbazol-9-yl-4-[4,5-di(carbazol-9-yl)-2-(trifluoromethyl)phenyl]-5-(trifluoromethyl)phenyl]carbazole is sourced from PubChem (CID 166982249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).