5-[3-[2,4-bis(trifluoromethyl)phenyl]-6-[2-[6-[2,4-bis(trifluoromethyl)phenyl]-9-(5-cyano-2-phenyl-4-pyridin-4-ylphenyl)carbazol-3-yl]-4,6-bis(trifluoromethyl)phenyl]carbazol-9-yl]-4-methyl-2-pyridin-4-ylbenzonitrile

C79H40F18N6 — CID 138566482

IUPAC5-[3-[2,4-bis(trifluoromethyl)phenyl]-6-[2-[6-[2,4-bis(trifluoromethyl)phenyl]-9-(5-cyano-2-phenyl-4-pyridin-4-ylphenyl)carbazol-3-yl]-4,6-bis(trifluoromethyl)phenyl]carbazol-9-yl]-4-methyl-2-pyridin-4-ylbenzonitrile
SMILESCc1cc(-c2ccncc2)c(C#N)cc1-n1c2ccc(-c3ccc(C(F)(F)F)cc3C(F)(F)F)cc2c2cc(-c3c(-c4ccc5c(c4)c4cc(-c6ccc(C(F)(F)F)cc6C(F)(F)F)ccc4n5-c4cc(C#N)c(-c5ccncc5)cc4-c4ccccc4)cc(C(F)(F)F)cc3C(F)(F)F)ccc21
InChIInChI=1S/C79H40F18N6/c1-41-27-56(43-19-23-100-24-20-43)49(39-98)32-71(41)102-67-15-7-45(54-13-11-51(74(80,81)82)35-64(54)77(89,90)91)29-61(67)63-31-48(10-18-68(63)102)73-59(34-53(76(86,87)88)37-66(73)79(95,96)97)47-9-17-70-62(30-47)60-28-46(55-14-12-52(75(83,84)85)36-65(55)78(92,93)94)8-16-69(60)103(70)72-33-50(40-99)57(44-21-25-101-26-22-44)38-58(72)42-5-3-2-4-6-42/h2-38H,1H3
InChIKeyDSHATFYUUWDNEF-UHFFFAOYSA-N
MW1415.19 g/mol
LogP24.50
Rot. Bonds9

About 5-[3-[2,4-bis(trifluoromethyl)phenyl]-6-[2-[6-[2,4-bis(trifluoromethyl)phenyl]-9-(5-cyano-2-phenyl-4-pyridin-4-ylphenyl)carbazol-3-yl]-4,6-bis(trifluoromethyl)phenyl]carbazol-9-yl]-4-methyl-2-pyridin-4-ylbenzonitrile

5-[3-[2,4-bis(trifluoromethyl)phenyl]-6-[2-[6-[2,4-bis(trifluoromethyl)phenyl]-9-(5-cyano-2-phenyl-4-pyridin-4-ylphenyl)carbazol-3-yl]-4,6-bis(trifluoromethyl)phenyl]carbazol-9-yl]-4-methyl-2-pyridin-4-ylbenzonitrile (PubChem CID 138566482) has the molecular formula C79H40F18N6 and a molecular weight of 1415.19 g/mol. Its IUPAC name is 5-[3-[2,4-bis(trifluoromethyl)phenyl]-6-[2-[6-[2,4-bis(trifluoromethyl)phenyl]-9-(5-cyano-2-phenyl-4-pyridin-4-ylphenyl)carbazol-3-yl]-4,6-bis(trifluoromethyl)phenyl]carbazol-9-yl]-4-methyl-2-pyridin-4-ylbenzonitrile.

Molecular Properties

Compound Name5-[3-[2,4-bis(trifluoromethyl)phenyl]-6-[2-[6-[2,4-bis(trifluoromethyl)phenyl]-9-(5-cyano-2-phenyl-4-pyridin-4-ylphenyl)carbazol-3-yl]-4,6-bis(trifluoromethyl)phenyl]carbazol-9-yl]-4-methyl-2-pyridin-4-ylbenzonitrile
PubChem CID138566482
Molecular FormulaC79H40F18N6
Molecular Weight1415.19 g/mol
Exact Mass1414.30
IUPAC Name5-[3-[2,4-bis(trifluoromethyl)phenyl]-6-[2-[6-[2,4-bis(trifluoromethyl)phenyl]-9-(5-cyano-2-phenyl-4-pyridin-4-ylphenyl)carbazol-3-yl]-4,6-bis(trifluoromethyl)phenyl]carbazol-9-yl]-4-methyl-2-pyridin-4-ylbenzonitrile
SMILESCc1cc(-c2ccncc2)c(C#N)cc1-n1c2ccc(-c3ccc(C(F)(F)F)cc3C(F)(F)F)cc2c2cc(-c3c(-c4ccc5c(c4)c4cc(-c6ccc(C(F)(F)F)cc6C(F)(F)F)ccc4n5-c4cc(C#N)c(-c5ccncc5)cc4-c4ccccc4)cc(C(F)(F)F)cc3C(F)(F)F)ccc21
InChIInChI=1S/C79H40F18N6/c1-41-27-56(43-19-23-100-24-20-43)49(39-98)32-71(41)102-67-15-7-45(54-13-11-51(74(80,81)82)35-64(54)77(89,90)91)29-61(67)63-31-48(10-18-68(63)102)73-59(34-53(76(86,87)88)37-66(73)79(95,96)97)47-9-17-70-62(30-47)60-28-46(55-14-12-52(75(83,84)85)36-65(55)78(92,93)94)8-16-69(60)103(70)72-33-50(40-99)57(44-21-25-101-26-22-44)38-58(72)42-5-3-2-4-6-42/h2-38H,1H3
InChIKeyDSHATFYUUWDNEF-UHFFFAOYSA-N
XLogP24.50
TPSA83.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms103
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001415.19
LogP ≤ 524.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 5-[3-[2,4-bis(trifluoromethyl)phenyl]-6-[2-[6-[2,4-bis(trifluoromethyl)phenyl]-9-(5-cyano-2-phenyl-4-pyridin-4-ylphenyl)carbazol-3-yl]-4,6-bis(trifluoromethyl)phenyl]carbazol-9-yl]-4-methyl-2-pyridin-4-ylbenzonitrile with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-[3-[2,4-bis(trifluoromethyl)phenyl]-6-[2-[6-[2,4-bis(trifluoromethyl)phenyl]-9-(5-cyano-2-phenyl-4-pyridin-4-ylphenyl)carbazol-3-yl]-4,6-bis(trifluoromethyl)phenyl]carbazol-9-yl]-4-methyl-2-pyridin-4-ylbenzonitrile?
The IUPAC name of 5-[3-[2,4-bis(trifluoromethyl)phenyl]-6-[2-[6-[2,4-bis(trifluoromethyl)phenyl]-9-(5-cyano-2-phenyl-4-pyridin-4-ylphenyl)carbazol-3-yl]-4,6-bis(trifluoromethyl)phenyl]carbazol-9-yl]-4-methyl-2-pyridin-4-ylbenzonitrile (CID 138566482) is 5-[3-[2,4-bis(trifluoromethyl)phenyl]-6-[2-[6-[2,4-bis(trifluoromethyl)phenyl]-9-(5-cyano-2-phenyl-4-pyridin-4-ylphenyl)carbazol-3-yl]-4,6-bis(trifluoromethyl)phenyl]carbazol-9-yl]-4-methyl-2-pyridin-4-ylbenzonitrile.
What is the SMILES notation for 5-[3-[2,4-bis(trifluoromethyl)phenyl]-6-[2-[6-[2,4-bis(trifluoromethyl)phenyl]-9-(5-cyano-2-phenyl-4-pyridin-4-ylphenyl)carbazol-3-yl]-4,6-bis(trifluoromethyl)phenyl]carbazol-9-yl]-4-methyl-2-pyridin-4-ylbenzonitrile?
The canonical SMILES for 5-[3-[2,4-bis(trifluoromethyl)phenyl]-6-[2-[6-[2,4-bis(trifluoromethyl)phenyl]-9-(5-cyano-2-phenyl-4-pyridin-4-ylphenyl)carbazol-3-yl]-4,6-bis(trifluoromethyl)phenyl]carbazol-9-yl]-4-methyl-2-pyridin-4-ylbenzonitrile is Cc1cc(-c2ccncc2)c(C#N)cc1-n1c2ccc(-c3ccc(C(F)(F)F)cc3C(F)(F)F)cc2c2cc(-c3c(-c4ccc5c(c4)c4cc(-c6ccc(C(F)(F)F)cc6C(F)(F)F)ccc4n5-c4cc(C#N)c(-c5ccncc5)cc4-c4ccccc4)cc(C(F)(F)F)cc3C(F)(F)F)ccc21.
What is the InChIKey of 5-[3-[2,4-bis(trifluoromethyl)phenyl]-6-[2-[6-[2,4-bis(trifluoromethyl)phenyl]-9-(5-cyano-2-phenyl-4-pyridin-4-ylphenyl)carbazol-3-yl]-4,6-bis(trifluoromethyl)phenyl]carbazol-9-yl]-4-methyl-2-pyridin-4-ylbenzonitrile?
The InChIKey is DSHATFYUUWDNEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C79H40F18N6/c1-41-27-56(43-19-23-100-24-20-43)49(39-98)32-71(41)102-67-15-7-45(54-13-11-51(74(80,81)82)35-64(54)77(89,90)91)29-61(67)63-31-48(10-18-68(63)102)73-59(34-53(76(86,87)88)37-66(73)79(95,96)97)47-9-17-70-62(30-47)60-28-46(55-14-12-52(75(83,84)85)36-65(55)78(92,93)94)8-16-69(60)103(70)72-33-50(40-99)57(44-21-25-101-26-22-44)38-58(72)42-5-3-2-4-6-42/h2-38H,1H3.
What are the key properties of 5-[3-[2,4-bis(trifluoromethyl)phenyl]-6-[2-[6-[2,4-bis(trifluoromethyl)phenyl]-9-(5-cyano-2-phenyl-4-pyridin-4-ylphenyl)carbazol-3-yl]-4,6-bis(trifluoromethyl)phenyl]carbazol-9-yl]-4-methyl-2-pyridin-4-ylbenzonitrile?
5-[3-[2,4-bis(trifluoromethyl)phenyl]-6-[2-[6-[2,4-bis(trifluoromethyl)phenyl]-9-(5-cyano-2-phenyl-4-pyridin-4-ylphenyl)carbazol-3-yl]-4,6-bis(trifluoromethyl)phenyl]carbazol-9-yl]-4-methyl-2-pyridin-4-ylbenzonitrile has a molecular weight of 1415.19 g/mol, XLogP of 24.50, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-[2,4-bis(trifluoromethyl)phenyl]-6-[2-[6-[2,4-bis(trifluoromethyl)phenyl]-9-(5-cyano-2-phenyl-4-pyridin-4-ylphenyl)carbazol-3-yl]-4,6-bis(trifluoromethyl)phenyl]carbazol-9-yl]-4-methyl-2-pyridin-4-ylbenzonitrile is sourced from PubChem (CID 138566482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).