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

C63H39F6N3 — CID 135130807

IUPAC9-[3,5-di(carbazol-9-yl)-2-(4-methylphenyl)-4,6-bis[4-(trifluoromethyl)phenyl]phenyl]carbazole
SMILESCc1ccc(-c2c(-n3c4ccccc4c4ccccc43)c(-c3ccc(C(F)(F)F)cc3)c(-n3c4ccccc4c4ccccc43)c(-c3ccc(C(F)(F)F)cc3)c2-n2c3ccccc3c3ccccc32)cc1
InChIInChI=1S/C63H39F6N3/c1-38-26-28-39(29-27-38)56-59(70-50-20-8-2-14-44(50)45-15-3-9-21-51(45)70)57(40-30-34-42(35-31-40)62(64,65)66)61(72-54-24-12-6-18-48(54)49-19-7-13-25-55(49)72)58(41-32-36-43(37-33-41)63(67,68)69)60(56)71-52-22-10-4-16-46(52)47-17-5-11-23-53(47)71/h2-37H,1H3
InChIKeyOBLGAJMOQGXOSQ-UHFFFAOYSA-N
MW952.01 g/mol
LogP18.32
Rot. Bonds6

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

9-[3,5-di(carbazol-9-yl)-2-(4-methylphenyl)-4,6-bis[4-(trifluoromethyl)phenyl]phenyl]carbazole (PubChem CID 135130807) has the molecular formula C63H39F6N3 and a molecular weight of 952.01 g/mol. Its IUPAC name is 9-[3,5-di(carbazol-9-yl)-2-(4-methylphenyl)-4,6-bis[4-(trifluoromethyl)phenyl]phenyl]carbazole.

Molecular Properties

Compound Name9-[3,5-di(carbazol-9-yl)-2-(4-methylphenyl)-4,6-bis[4-(trifluoromethyl)phenyl]phenyl]carbazole
PubChem CID135130807
Molecular FormulaC63H39F6N3
Molecular Weight952.01 g/mol
Exact Mass951.30
IUPAC Name9-[3,5-di(carbazol-9-yl)-2-(4-methylphenyl)-4,6-bis[4-(trifluoromethyl)phenyl]phenyl]carbazole
SMILESCc1ccc(-c2c(-n3c4ccccc4c4ccccc43)c(-c3ccc(C(F)(F)F)cc3)c(-n3c4ccccc4c4ccccc43)c(-c3ccc(C(F)(F)F)cc3)c2-n2c3ccccc3c3ccccc32)cc1
InChIInChI=1S/C63H39F6N3/c1-38-26-28-39(29-27-38)56-59(70-50-20-8-2-14-44(50)45-15-3-9-21-51(45)70)57(40-30-34-42(35-31-40)62(64,65)66)61(72-54-24-12-6-18-48(54)49-19-7-13-25-55(49)72)58(41-32-36-43(37-33-41)63(67,68)69)60(56)71-52-22-10-4-16-46(52)47-17-5-11-23-53(47)71/h2-37H,1H3
InChIKeyOBLGAJMOQGXOSQ-UHFFFAOYSA-N
XLogP18.32
TPSA14.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms72
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500952.01
LogP ≤ 518.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2,3,5,6-tetra(carbazol-9-yl)-4-[4-(trifluoromethyl)phenyl]benzonitrile
CID 121303123
9-[4-(4,6-diphenylpyrimidin-2-yl)-2,6-bis[4-(trifluoromethyl)phenyl]phenyl]-3-methylcarbazole
CID 155446598
2,5-di(carbazol-9-yl)-3,6-bis(4-methylphenyl)benzene-1,4-dicarbonitrile
CID 147058731
9-[4-(2,6-diphenylpyrimidin-4-yl)-2-(4-methylphenyl)-6-[4-(trifluoromethyl)phenyl]phenyl]-3-(2,4,6-trimethylphenyl)carbazole
CID 159468823
9-[4-(2,6-diphenylpyrimidin-4-yl)-2-(4-methylphenyl)-6-[4-(trifluoromethyl)phenyl]phenyl]-3-(3-methylphenyl)carbazole
CID 160846045
3-(9-phenylcarbazol-3-yl)-9-[2,4,6-tri(carbazol-9-yl)-3,5-bis[3-(trifluoromethyl)phenyl]phenyl]carbazole
CID 167107982
3-[9-[4-[3,5-bis(trifluoromethyl)phenyl]-2,3,5,6-tetra(carbazol-9-yl)phenyl]carbazol-3-yl]-9-phenylcarbazole
CID 167107984
9-[2,6-bis(4,6-diphenylpyrimidin-2-yl)-4-(trifluoromethyl)phenyl]-3-(4-methylphenyl)carbazole
CID 138555653
1-methyl-4-(trifluoromethyl)benzene;toluene
CID 159876070
1-methyl-4-[4-[4-[4-(trifluoromethyl)phenyl]phenyl]phenyl]benzene
CID 59630308
3-carbazol-9-yl-9-[2,3,5,6-tetra(carbazol-9-yl)-4-[3-(trifluoromethyl)phenyl]phenyl]carbazole
CID 167107992
4-[2,3,5,6-tetrakis(3-tert-butylcarbazol-9-yl)-4-(4-cyanophenyl)phenyl]benzonitrile
CID 168845296

Frequently Asked Questions

What is the IUPAC name of 9-[3,5-di(carbazol-9-yl)-2-(4-methylphenyl)-4,6-bis[4-(trifluoromethyl)phenyl]phenyl]carbazole?
The IUPAC name of 9-[3,5-di(carbazol-9-yl)-2-(4-methylphenyl)-4,6-bis[4-(trifluoromethyl)phenyl]phenyl]carbazole (CID 135130807) is 9-[3,5-di(carbazol-9-yl)-2-(4-methylphenyl)-4,6-bis[4-(trifluoromethyl)phenyl]phenyl]carbazole.
What is the SMILES notation for 9-[3,5-di(carbazol-9-yl)-2-(4-methylphenyl)-4,6-bis[4-(trifluoromethyl)phenyl]phenyl]carbazole?
The canonical SMILES for 9-[3,5-di(carbazol-9-yl)-2-(4-methylphenyl)-4,6-bis[4-(trifluoromethyl)phenyl]phenyl]carbazole is Cc1ccc(-c2c(-n3c4ccccc4c4ccccc43)c(-c3ccc(C(F)(F)F)cc3)c(-n3c4ccccc4c4ccccc43)c(-c3ccc(C(F)(F)F)cc3)c2-n2c3ccccc3c3ccccc32)cc1.
What is the InChIKey of 9-[3,5-di(carbazol-9-yl)-2-(4-methylphenyl)-4,6-bis[4-(trifluoromethyl)phenyl]phenyl]carbazole?
The InChIKey is OBLGAJMOQGXOSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C63H39F6N3/c1-38-26-28-39(29-27-38)56-59(70-50-20-8-2-14-44(50)45-15-3-9-21-51(45)70)57(40-30-34-42(35-31-40)62(64,65)66)61(72-54-24-12-6-18-48(54)49-19-7-13-25-55(49)72)58(41-32-36-43(37-33-41)63(67,68)69)60(56)71-52-22-10-4-16-46(52)47-17-5-11-23-53(47)71/h2-37H,1H3.
What are the key properties of 9-[3,5-di(carbazol-9-yl)-2-(4-methylphenyl)-4,6-bis[4-(trifluoromethyl)phenyl]phenyl]carbazole?
9-[3,5-di(carbazol-9-yl)-2-(4-methylphenyl)-4,6-bis[4-(trifluoromethyl)phenyl]phenyl]carbazole has a molecular weight of 952.01 g/mol, XLogP of 18.32, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[3,5-di(carbazol-9-yl)-2-(4-methylphenyl)-4,6-bis[4-(trifluoromethyl)phenyl]phenyl]carbazole is sourced from PubChem (CID 135130807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).