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

C62H39F3N4 — CID 170274139

IUPAC9-[2-carbazol-9-yl-4-[4,5-di(carbazol-9-yl)-2-methylphenyl]-5-(trifluoromethyl)phenyl]carbazole
SMILESCc1cc(-n2c3ccccc3c3ccccc32)c(-n2c3ccccc3c3ccccc32)cc1-c1cc(-n2c3ccccc3c3ccccc32)c(-n2c3ccccc3c3ccccc32)cc1C(F)(F)F
InChIInChI=1S/C62H39F3N4/c1-38-34-58(66-50-26-10-2-18-39(50)40-19-3-11-27-51(40)66)59(67-52-28-12-4-20-41(52)42-21-5-13-29-53(42)67)35-47(38)48-36-60(68-54-30-14-6-22-43(54)44-23-7-15-31-55(44)68)61(37-49(48)62(63,64)65)69-56-32-16-8-24-45(56)46-25-9-17-33-57(46)69/h2-37H,1H3
InChIKeyNFLOMSXDWCBDCY-UHFFFAOYSA-N
MW897.02 g/mol
LogP17.07
Rot. Bonds5

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

9-[2-carbazol-9-yl-4-[4,5-di(carbazol-9-yl)-2-methylphenyl]-5-(trifluoromethyl)phenyl]carbazole (PubChem CID 170274139) has the molecular formula C62H39F3N4 and a molecular weight of 897.02 g/mol. Its IUPAC name is 9-[2-carbazol-9-yl-4-[4,5-di(carbazol-9-yl)-2-methylphenyl]-5-(trifluoromethyl)phenyl]carbazole.

Molecular Properties

Compound Name9-[2-carbazol-9-yl-4-[4,5-di(carbazol-9-yl)-2-methylphenyl]-5-(trifluoromethyl)phenyl]carbazole
PubChem CID170274139
Molecular FormulaC62H39F3N4
Molecular Weight897.02 g/mol
Exact Mass896.31
IUPAC Name9-[2-carbazol-9-yl-4-[4,5-di(carbazol-9-yl)-2-methylphenyl]-5-(trifluoromethyl)phenyl]carbazole
SMILESCc1cc(-n2c3ccccc3c3ccccc32)c(-n2c3ccccc3c3ccccc32)cc1-c1cc(-n2c3ccccc3c3ccccc32)c(-n2c3ccccc3c3ccccc32)cc1C(F)(F)F
InChIInChI=1S/C62H39F3N4/c1-38-34-58(66-50-26-10-2-18-39(50)40-19-3-11-27-51(40)66)59(67-52-28-12-4-20-41(52)42-21-5-13-29-53(42)67)35-47(38)48-36-60(68-54-30-14-6-22-43(54)44-23-7-15-31-55(44)68)61(37-49(48)62(63,64)65)69-56-32-16-8-24-45(56)46-25-9-17-33-57(46)69/h2-37H,1H3
InChIKeyNFLOMSXDWCBDCY-UHFFFAOYSA-N
XLogP17.07
TPSA19.72 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms69
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500897.02
LogP ≤ 517.07
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-(trifluoromethyl)phenyl]-5-(trifluoromethyl)phenyl]carbazole
CID 166982249
1-methyl-9-[2-(1-methylcarbazol-9-yl)-4-(trifluoromethyl)-5-[2-(trifluoromethyl)phenyl]phenyl]carbazole
CID 158794342
9-[4-carbazol-9-yl-2,5-bis(trifluoromethyl)phenyl]carbazole
CID 135136219
3-(trifluoromethyl)-9-[4-(trifluoromethyl)-2-[3-(trifluoromethyl)carbazol-9-yl]-5-[3-(trifluoromethyl)phenyl]phenyl]carbazole
CID 162610974
2-(4-methylphenyl)-9-[2-[2-(4-methylphenyl)carbazol-9-yl]-4-(trifluoromethyl)-5-[3-(trifluoromethyl)phenyl]phenyl]carbazole
CID 162610922
2-tert-butyl-9-[2-(2-tert-butylcarbazol-9-yl)-4-(trifluoromethyl)-5-[3-(trifluoromethyl)phenyl]phenyl]carbazole
CID 142501935
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
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[2-(trifluoromethyl)carbazol-9-yl]benzonitrile
CID 134473580
4,5-bis(2-tert-butylcarbazol-9-yl)-2-[2-methyl-6-(trifluoromethyl)phenyl]benzonitrile
CID 159441695
9-[2,5-bis(trifluoromethyl)phenyl]carbazole
CID 122431295
9-(4-methyl-2,5-diphenylphenyl)carbazole
CID 167659525

Frequently Asked Questions

What is the IUPAC name of 9-[2-carbazol-9-yl-4-[4,5-di(carbazol-9-yl)-2-methylphenyl]-5-(trifluoromethyl)phenyl]carbazole?
The IUPAC name of 9-[2-carbazol-9-yl-4-[4,5-di(carbazol-9-yl)-2-methylphenyl]-5-(trifluoromethyl)phenyl]carbazole (CID 170274139) is 9-[2-carbazol-9-yl-4-[4,5-di(carbazol-9-yl)-2-methylphenyl]-5-(trifluoromethyl)phenyl]carbazole.
What is the SMILES notation for 9-[2-carbazol-9-yl-4-[4,5-di(carbazol-9-yl)-2-methylphenyl]-5-(trifluoromethyl)phenyl]carbazole?
The canonical SMILES for 9-[2-carbazol-9-yl-4-[4,5-di(carbazol-9-yl)-2-methylphenyl]-5-(trifluoromethyl)phenyl]carbazole is Cc1cc(-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-methylphenyl]-5-(trifluoromethyl)phenyl]carbazole?
The InChIKey is NFLOMSXDWCBDCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C62H39F3N4/c1-38-34-58(66-50-26-10-2-18-39(50)40-19-3-11-27-51(40)66)59(67-52-28-12-4-20-41(52)42-21-5-13-29-53(42)67)35-47(38)48-36-60(68-54-30-14-6-22-43(54)44-23-7-15-31-55(44)68)61(37-49(48)62(63,64)65)69-56-32-16-8-24-45(56)46-25-9-17-33-57(46)69/h2-37H,1H3.
What are the key properties of 9-[2-carbazol-9-yl-4-[4,5-di(carbazol-9-yl)-2-methylphenyl]-5-(trifluoromethyl)phenyl]carbazole?
9-[2-carbazol-9-yl-4-[4,5-di(carbazol-9-yl)-2-methylphenyl]-5-(trifluoromethyl)phenyl]carbazole has a molecular weight of 897.02 g/mol, XLogP of 17.07, 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-methylphenyl]-5-(trifluoromethyl)phenyl]carbazole is sourced from PubChem (CID 170274139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).