3-[3-(2-cyanophenyl)-6-(2-isocyanophenyl)carbazol-9-yl]-2-[2-[3-(2-cyanophenyl)-6-(2-isocyanophenyl)carbazol-9-yl]-5-(trifluoromethyl)phenyl]benzonitrile;3-[3-(3-cyanophenyl)-6-(3-isocyanophenyl)carbazol-9-yl]-2-[2-[3-(3-cyanophenyl)-6-(3-isocyanophenyl)carbazol-9-yl]-5-(trifluoromethyl)phenyl]benzonitrile;3-[9-[2-[2-isocyano-6-[3-(3-isocyanophenyl)carbazol-9-yl]phenyl]-4-(trifluoromethyl)phenyl]carbazol-3-yl]benzonitrile

C184H96F9N19 — CID 157340547

IUPAC3-[3-(2-cyanophenyl)-6-(2-isocyanophenyl)carbazol-9-yl]-2-[2-[3-(2-cyanophenyl)-6-(2-isocyanophenyl)carbazol-9-yl]-5-(trifluoromethyl)phenyl]benzonitrile;3-[3-(3-cyanophenyl)-6-(3-isocyanophenyl)carbazol-9-yl]-2-[2-[3-(3-cyanophenyl)-6-(3-isocyanophenyl)carbazol-9-yl]-5-(trifluoromethyl)phenyl]benzonitrile;3-[9-[2-[2-isocyano-6-[3-(3-isocyanophenyl)carbazol-9-yl]phenyl]-4-(trifluoromethyl)phenyl]carbazol-3-yl]benzonitrile
SMILES[C-]#[N+]c1cccc(-c2ccc3c(c2)c2cc(-c4cccc(C#N)c4)ccc2n3-c2ccc(C(F)(F)F)cc2-c2c(C#N)cccc2-n2c3ccc(-c4cccc(C#N)c4)cc3c3cc(-c4cccc([N+]#[C-])c4)ccc32)c1.[C-]#[N+]c1cccc(-c2ccc3c(c2)c2ccccc2n3-c2cccc([N+]#[C-])c2-c2cc(C(F)(F)F)ccc2-n2c3ccccc3c3cc(-c4cccc(C#N)c4)ccc32)c1.[C-]#[N+]c1ccccc1-c1ccc2c(c1)c1cc(-c3ccccc3C#N)ccc1n2-c1ccc(C(F)(F)F)cc1-c1c(C#N)cccc1-n1c2ccc(-c3ccccc3C#N)cc2c2cc(-c3ccccc3[N+]#[C-])ccc21
InChIInChI=1S/2C66H34F3N7.C52H28F3N5/c1-73-52-15-5-12-44(30-52)48-20-24-60-55(34-48)54-32-46(42-10-3-8-40(28-42)37-70)18-23-59(54)75(60)63-27-22-51(66(67,68)69)36-58(63)65-50(39-72)14-7-17-64(65)76-61-25-19-47(43-11-4-9-41(29-43)38-71)33-56(61)57-35-49(21-26-62(57)76)45-13-6-16-53(31-45)74-2;1-73-57-19-9-7-17-50(57)42-24-29-60-54(34-42)52-32-40(48-15-5-3-12-44(48)37-70)22-27-59(52)75(60)63-31-26-47(66(67,68)69)36-56(63)65-46(39-72)14-11-21-64(65)76-61-28-23-41(49-16-6-4-13-45(49)38-71)33-53(61)55-35-43(25-30-62(55)76)51-18-8-10-20-58(51)74-2;1-57-38-13-8-12-34(27-38)36-21-24-48-42(29-36)40-15-4-6-18-46(40)60(48)50-19-9-16-44(58-2)51(50)43-30-37(52(53,54)55)22-25-49(43)59-45-17-5-3-14-39(45)41-28-35(20-23-47(41)59)33-11-7-10-32(26-33)31-56/h2*3-36H;3-30H
InChIKeyBGIMFIWPUPOOIE-UHFFFAOYSA-N
MW2743.91 g/mol
LogP50.78
Rot. Bonds19

About 3-[3-(2-cyanophenyl)-6-(2-isocyanophenyl)carbazol-9-yl]-2-[2-[3-(2-cyanophenyl)-6-(2-isocyanophenyl)carbazol-9-yl]-5-(trifluoromethyl)phenyl]benzonitrile;3-[3-(3-cyanophenyl)-6-(3-isocyanophenyl)carbazol-9-yl]-2-[2-[3-(3-cyanophenyl)-6-(3-isocyanophenyl)carbazol-9-yl]-5-(trifluoromethyl)phenyl]benzonitrile;3-[9-[2-[2-isocyano-6-[3-(3-isocyanophenyl)carbazol-9-yl]phenyl]-4-(trifluoromethyl)phenyl]carbazol-3-yl]benzonitrile

3-[3-(2-cyanophenyl)-6-(2-isocyanophenyl)carbazol-9-yl]-2-[2-[3-(2-cyanophenyl)-6-(2-isocyanophenyl)carbazol-9-yl]-5-(trifluoromethyl)phenyl]benzonitrile;3-[3-(3-cyanophenyl)-6-(3-isocyanophenyl)carbazol-9-yl]-2-[2-[3-(3-cyanophenyl)-6-(3-isocyanophenyl)carbazol-9-yl]-5-(trifluoromethyl)phenyl]benzonitrile;3-[9-[2-[2-isocyano-6-[3-(3-isocyanophenyl)carbazol-9-yl]phenyl]-4-(trifluoromethyl)phenyl]carbazol-3-yl]benzonitrile (PubChem CID 157340547) has the molecular formula C184H96F9N19 and a molecular weight of 2743.91 g/mol. Its IUPAC name is 3-[3-(2-cyanophenyl)-6-(2-isocyanophenyl)carbazol-9-yl]-2-[2-[3-(2-cyanophenyl)-6-(2-isocyanophenyl)carbazol-9-yl]-5-(trifluoromethyl)phenyl]benzonitrile;3-[3-(3-cyanophenyl)-6-(3-isocyanophenyl)carbazol-9-yl]-2-[2-[3-(3-cyanophenyl)-6-(3-isocyanophenyl)carbazol-9-yl]-5-(trifluoromethyl)phenyl]benzonitrile;3-[9-[2-[2-isocyano-6-[3-(3-isocyanophenyl)carbazol-9-yl]phenyl]-4-(trifluoromethyl)phenyl]carbazol-3-yl]benzonitrile.

Molecular Properties

Compound Name3-[3-(2-cyanophenyl)-6-(2-isocyanophenyl)carbazol-9-yl]-2-[2-[3-(2-cyanophenyl)-6-(2-isocyanophenyl)carbazol-9-yl]-5-(trifluoromethyl)phenyl]benzonitrile;3-[3-(3-cyanophenyl)-6-(3-isocyanophenyl)carbazol-9-yl]-2-[2-[3-(3-cyanophenyl)-6-(3-isocyanophenyl)carbazol-9-yl]-5-(trifluoromethyl)phenyl]benzonitrile;3-[9-[2-[2-isocyano-6-[3-(3-isocyanophenyl)carbazol-9-yl]phenyl]-4-(trifluoromethyl)phenyl]carbazol-3-yl]benzonitrile
PubChem CID157340547
Molecular FormulaC184H96F9N19
Molecular Weight2743.91 g/mol
Exact Mass2741.80
IUPAC Name3-[3-(2-cyanophenyl)-6-(2-isocyanophenyl)carbazol-9-yl]-2-[2-[3-(2-cyanophenyl)-6-(2-isocyanophenyl)carbazol-9-yl]-5-(trifluoromethyl)phenyl]benzonitrile;3-[3-(3-cyanophenyl)-6-(3-isocyanophenyl)carbazol-9-yl]-2-[2-[3-(3-cyanophenyl)-6-(3-isocyanophenyl)carbazol-9-yl]-5-(trifluoromethyl)phenyl]benzonitrile;3-[9-[2-[2-isocyano-6-[3-(3-isocyanophenyl)carbazol-9-yl]phenyl]-4-(trifluoromethyl)phenyl]carbazol-3-yl]benzonitrile
SMILES[C-]#[N+]c1cccc(-c2ccc3c(c2)c2cc(-c4cccc(C#N)c4)ccc2n3-c2ccc(C(F)(F)F)cc2-c2c(C#N)cccc2-n2c3ccc(-c4cccc(C#N)c4)cc3c3cc(-c4cccc([N+]#[C-])c4)ccc32)c1.[C-]#[N+]c1cccc(-c2ccc3c(c2)c2ccccc2n3-c2cccc([N+]#[C-])c2-c2cc(C(F)(F)F)ccc2-n2c3ccccc3c3cc(-c4cccc(C#N)c4)ccc32)c1.[C-]#[N+]c1ccccc1-c1ccc2c(c1)c1cc(-c3ccccc3C#N)ccc1n2-c1ccc(C(F)(F)F)cc1-c1c(C#N)cccc1-n1c2ccc(-c3ccccc3C#N)cc2c2cc(-c3ccccc3[N+]#[C-])ccc21
InChIInChI=1S/2C66H34F3N7.C52H28F3N5/c1-73-52-15-5-12-44(30-52)48-20-24-60-55(34-48)54-32-46(42-10-3-8-40(28-42)37-70)18-23-59(54)75(60)63-27-22-51(66(67,68)69)36-58(63)65-50(39-72)14-7-17-64(65)76-61-25-19-47(43-11-4-9-41(29-43)38-71)33-56(61)57-35-49(21-26-62(57)76)45-13-6-16-53(31-45)74-2;1-73-57-19-9-7-17-50(57)42-24-29-60-54(34-42)52-32-40(48-15-5-3-12-44(48)37-70)22-27-59(52)75(60)63-31-26-47(66(67,68)69)36-56(63)65-46(39-72)14-11-21-64(65)76-61-28-23-41(49-16-6-4-13-45(49)38-71)33-53(61)55-35-43(25-30-62(55)76)51-18-8-10-20-58(51)74-2;1-57-38-13-8-12-34(27-38)36-21-24-48-42(29-36)40-15-4-6-18-46(40)60(48)50-19-9-16-44(58-2)51(50)43-30-37(52(53,54)55)22-25-49(43)59-45-17-5-3-14-39(45)41-28-35(20-23-47(41)59)33-11-7-10-32(26-33)31-56/h2*3-36H;3-30H
InChIKeyBGIMFIWPUPOOIE-UHFFFAOYSA-N
XLogP50.78
TPSA222.27 Ų
H-Bond Donors
H-Bond Acceptors13
Rotatable Bonds19
Heavy Atoms212
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002743.91
LogP ≤ 550.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1013

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

Analyze 3-[3-(2-cyanophenyl)-6-(2-isocyanophenyl)carbazol-9-yl]-2-[2-[3-(2-cyanophenyl)-6-(2-isocyanophenyl)carbazol-9-yl]-5-(trifluoromethyl)phenyl]benzonitrile;3-[3-(3-cyanophenyl)-6-(3-isocyanophenyl)carbazol-9-yl]-2-[2-[3-(3-cyanophenyl)-6-(3-isocyanophenyl)carbazol-9-yl]-5-(trifluoromethyl)phenyl]benzonitrile;3-[9-[2-[2-isocyano-6-[3-(3-isocyanophenyl)carbazol-9-yl]phenyl]-4-(trifluoromethyl)phenyl]carbazol-3-yl]benzonitrile with MolForge

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Related Compounds

2-[9-[2-[2-[3,6-bis(2-isocyanophenyl)carbazol-9-yl]-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4-(trifluoromethyl)phenyl]-6-(2-isocyanophenyl)carbazol-3-yl]benzonitrile;3-[9-[2-[2-[3,6-bis(3-isocyanophenyl)carbazol-9-yl]-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4-(trifluoromethyl)phenyl]-6-(3-isocyanophenyl)carbazol-3-yl]benzonitrile;3-[9-[2-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-[3-(3-isocyanophenyl)carbazol-9-yl]phenyl]-4-(trifluoromethyl)phenyl]carbazol-3-yl]benzonitrile
CID 157378710
2-[9-[3-(2,6-dimethylphenyl)-2-[2-isocyano-6-[3-(2-isocyanophenyl)carbazol-9-yl]phenyl]phenyl]carbazol-3-yl]benzonitrile;3-[9-[3-isocyano-2-[2-[3-(3-isocyanophenyl)carbazol-9-yl]-5-[2-methyl-6-(trifluoromethyl)phenyl]phenyl]phenyl]carbazol-3-yl]benzonitrile
CID 157141802
2-[2-[3-[3,5-bis(trifluoromethyl)phenyl]-6-[3-methyl-5-(trifluoromethyl)phenyl]carbazol-9-yl]-5-[3-methyl-5-(trifluoromethyl)phenyl]phenyl]-3-[3-(3,5-dimethylphenyl)-6-[3-methyl-5-(trifluoromethyl)phenyl]carbazol-9-yl]benzonitrile;2-[9-[2-[2-[3-(2-cyanophenyl)carbazol-9-yl]-6-isocyanophenyl]-4-[3-methyl-5-(trifluoromethyl)phenyl]phenyl]carbazol-3-yl]benzonitrile;9-[2-[2-isocyano-6-[3-[3-methyl-5-(trifluoromethyl)phenyl]carbazol-9-yl]phenyl]-4-[3-methyl-5-(trifluoromethyl)phenyl]phenyl]-3-[3-methyl-5-(trifluoromethyl)phenyl]carbazole
CID 158568133
3-[3,6-bis(3-cyanophenyl)carbazol-9-yl]-2-[2-[3,6-bis(3-cyanophenyl)carbazol-9-yl]-5-[2-cyano-5-(trifluoromethyl)phenyl]phenyl]benzonitrile
CID 163422155
3-(3-phenylcarbazol-9-yl)-2-[2-(3-phenylcarbazol-9-yl)-5-(trifluoromethyl)phenyl]benzonitrile
CID 139525922
9-[2-[2-[3,6-bis(2-isocyanophenyl)carbazol-9-yl]-6-isocyanophenyl]-3-[3-methyl-5-(trifluoromethyl)phenyl]phenyl]-3,6-bis(2-isocyanophenyl)carbazole;3-[9-[2-[2-[3-(3-cyanophenyl)-6-(3-isocyanophenyl)carbazol-9-yl]-6-isocyanophenyl]-3-[3-methyl-5-(trifluoromethyl)phenyl]phenyl]-6-(3-isocyanophenyl)carbazol-3-yl]benzonitrile
CID 158364853
4,5-bis[2,7-bis(2-isocyanophenyl)carbazol-9-yl]-2-[2-isocyano-6-(trifluoromethyl)phenyl]benzonitrile;2-[9-[2-[3-(2-cyanophenyl)-6-(2-isocyanophenyl)carbazol-9-yl]-4-isocyano-5-[2-isocyano-6-(trifluoromethyl)phenyl]phenyl]-6-(2-isocyanophenyl)carbazol-3-yl]benzonitrile;2-[9-[5-isocyano-2-[2-(2-isocyanophenyl)carbazol-9-yl]-4-[2-isocyano-6-(trifluoromethyl)phenyl]phenyl]carbazol-2-yl]benzonitrile;3-[9-[5-isocyano-2-[3-(3-isocyanophenyl)carbazol-9-yl]-4-[2-isocyano-6-(trifluoromethyl)phenyl]phenyl]carbazol-3-yl]benzonitrile;9-[4-isocyano-2-[2-(3-isocyanophenyl)carbazol-9-yl]-5-[2-isocyano-6-(trifluoromethyl)phenyl]phenyl]-2-(3-isocyanophenyl)carbazole;9-[4-isocyano-2-[3-(2-isocyanophenyl)carbazol-9-yl]-5-[2-isocyano-6-(trifluoromethyl)phenyl]phenyl]-3-(2-isocyanophenyl)carbazole
CID 160887427
3-[9-[2-[2-[3,6-bis(3-isocyanophenyl)carbazol-9-yl]-5-(4,6-diphenylpyrimidin-2-yl)phenyl]phenyl]-6-(3-isocyanophenyl)carbazol-3-yl]benzonitrile;3-[9-[2-[2-[3-(3-cyanophenyl)carbazol-9-yl]phenyl]-4-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazol-3-yl]benzonitrile;2-[9-[2-[2-[3-(2-cyanophenyl)-6-(2-isocyanophenyl)carbazol-9-yl]phenyl]-4-(4,6-diphenylpyrimidin-2-yl)phenyl]-6-(2-isocyanophenyl)carbazol-3-yl]benzonitrile;2-[9-[4-(4,6-diphenylpyrimidin-2-yl)-2-[2-[3-(2-isocyanophenyl)carbazol-9-yl]phenyl]phenyl]carbazol-3-yl]benzonitrile;4-[9-[2-[5-(4,6-diphenylpyrimidin-2-yl)-2-[3-(4-isocyanophenyl)carbazol-9-yl]phenyl]phenyl]carbazol-3-yl]benzonitrile
CID 159553292
9-[2-[2-[3,6-bis(3,5-dimethylphenyl)carbazol-9-yl]-5-(3,5-dimethylphenyl)phenyl]-3-isocyanophenyl]-3,6-bis(3,5-dimethylphenyl)carbazole;9-[2-[2-[3,6-bis(2,4-dimethylphenyl)carbazol-9-yl]-6-isocyanophenyl]-4-[3-methyl-5-(trifluoromethyl)phenyl]phenyl]-3,6-bis(2,4-dimethylphenyl)carbazole;4-[9-[2-[2-[3-(2-cyano-4-isocyanophenyl)carbazol-9-yl]-5-[3-methyl-5-(trifluoromethyl)phenyl]phenyl]-3-isocyanophenyl]carbazol-3-yl]benzene-1,3-dicarbonitrile;4-[9-[3-isocyano-2-[2-[3-(4-isocyanophenyl)carbazol-9-yl]-5-[3-methyl-5-(trifluoromethyl)phenyl]phenyl]phenyl]carbazol-3-yl]benzonitrile
CID 161018291
4-[9-[2-[2-[3-(2-cyano-4-isocyanophenyl)carbazol-9-yl]-5-(4-cyano-2-methylphenyl)phenyl]-3-isocyanophenyl]carbazol-3-yl]benzene-1,3-dicarbonitrile
CID 161184539
4-[9-[2-[4-cyano-2-[3-(2-cyano-4-isocyanophenyl)carbazol-9-yl]phenyl]-4-methylphenyl]carbazol-3-yl]-3-isocyanobenzonitrile;4-[6-(2-cyano-4-isocyanophenyl)-9-[2-[2-[3-(2-cyano-4-isocyanophenyl)-6-(4-cyano-2-isocyanophenyl)carbazol-9-yl]-4-isocyanophenyl]-4-(trifluoromethyl)phenyl]carbazol-3-yl]-3-isocyanobenzonitrile
CID 158694416
2-[9-[3-[2-(2-cyanophenyl)-7-(2-isocyanophenyl)carbazol-9-yl]-5-(4,6-dimethyl-1,3,5-triazin-2-yl)-2-(trifluoromethyl)phenyl]-7-(2-isocyanophenyl)carbazol-2-yl]benzonitrile;2-[9-[3-[3-(2-cyanophenyl)-6-(2-isocyanophenyl)carbazol-9-yl]-5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-(trifluoromethyl)phenyl]-6-(2-isocyanophenyl)carbazol-3-yl]benzonitrile;3-[9-[5-(4,6-dimethyl-1,3,5-triazin-2-yl)-3-[2-(3-isocyanophenyl)carbazol-9-yl]-2-(trifluoromethyl)phenyl]carbazol-2-yl]benzonitrile;3-[9-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-[3-(3-isocyanophenyl)carbazol-9-yl]-2-(trifluoromethyl)phenyl]carbazol-3-yl]benzonitrile
CID 158152568

Frequently Asked Questions

What is the IUPAC name of 3-[3-(2-cyanophenyl)-6-(2-isocyanophenyl)carbazol-9-yl]-2-[2-[3-(2-cyanophenyl)-6-(2-isocyanophenyl)carbazol-9-yl]-5-(trifluoromethyl)phenyl]benzonitrile;3-[3-(3-cyanophenyl)-6-(3-isocyanophenyl)carbazol-9-yl]-2-[2-[3-(3-cyanophenyl)-6-(3-isocyanophenyl)carbazol-9-yl]-5-(trifluoromethyl)phenyl]benzonitrile;3-[9-[2-[2-isocyano-6-[3-(3-isocyanophenyl)carbazol-9-yl]phenyl]-4-(trifluoromethyl)phenyl]carbazol-3-yl]benzonitrile?
The IUPAC name of 3-[3-(2-cyanophenyl)-6-(2-isocyanophenyl)carbazol-9-yl]-2-[2-[3-(2-cyanophenyl)-6-(2-isocyanophenyl)carbazol-9-yl]-5-(trifluoromethyl)phenyl]benzonitrile;3-[3-(3-cyanophenyl)-6-(3-isocyanophenyl)carbazol-9-yl]-2-[2-[3-(3-cyanophenyl)-6-(3-isocyanophenyl)carbazol-9-yl]-5-(trifluoromethyl)phenyl]benzonitrile;3-[9-[2-[2-isocyano-6-[3-(3-isocyanophenyl)carbazol-9-yl]phenyl]-4-(trifluoromethyl)phenyl]carbazol-3-yl]benzonitrile (CID 157340547) is 3-[3-(2-cyanophenyl)-6-(2-isocyanophenyl)carbazol-9-yl]-2-[2-[3-(2-cyanophenyl)-6-(2-isocyanophenyl)carbazol-9-yl]-5-(trifluoromethyl)phenyl]benzonitrile;3-[3-(3-cyanophenyl)-6-(3-isocyanophenyl)carbazol-9-yl]-2-[2-[3-(3-cyanophenyl)-6-(3-isocyanophenyl)carbazol-9-yl]-5-(trifluoromethyl)phenyl]benzonitrile;3-[9-[2-[2-isocyano-6-[3-(3-isocyanophenyl)carbazol-9-yl]phenyl]-4-(trifluoromethyl)phenyl]carbazol-3-yl]benzonitrile.
What is the SMILES notation for 3-[3-(2-cyanophenyl)-6-(2-isocyanophenyl)carbazol-9-yl]-2-[2-[3-(2-cyanophenyl)-6-(2-isocyanophenyl)carbazol-9-yl]-5-(trifluoromethyl)phenyl]benzonitrile;3-[3-(3-cyanophenyl)-6-(3-isocyanophenyl)carbazol-9-yl]-2-[2-[3-(3-cyanophenyl)-6-(3-isocyanophenyl)carbazol-9-yl]-5-(trifluoromethyl)phenyl]benzonitrile;3-[9-[2-[2-isocyano-6-[3-(3-isocyanophenyl)carbazol-9-yl]phenyl]-4-(trifluoromethyl)phenyl]carbazol-3-yl]benzonitrile?
The canonical SMILES for 3-[3-(2-cyanophenyl)-6-(2-isocyanophenyl)carbazol-9-yl]-2-[2-[3-(2-cyanophenyl)-6-(2-isocyanophenyl)carbazol-9-yl]-5-(trifluoromethyl)phenyl]benzonitrile;3-[3-(3-cyanophenyl)-6-(3-isocyanophenyl)carbazol-9-yl]-2-[2-[3-(3-cyanophenyl)-6-(3-isocyanophenyl)carbazol-9-yl]-5-(trifluoromethyl)phenyl]benzonitrile;3-[9-[2-[2-isocyano-6-[3-(3-isocyanophenyl)carbazol-9-yl]phenyl]-4-(trifluoromethyl)phenyl]carbazol-3-yl]benzonitrile is [C-]#[N+]c1cccc(-c2ccc3c(c2)c2cc(-c4cccc(C#N)c4)ccc2n3-c2ccc(C(F)(F)F)cc2-c2c(C#N)cccc2-n2c3ccc(-c4cccc(C#N)c4)cc3c3cc(-c4cccc([N+]#[C-])c4)ccc32)c1.[C-]#[N+]c1cccc(-c2ccc3c(c2)c2ccccc2n3-c2cccc([N+]#[C-])c2-c2cc(C(F)(F)F)ccc2-n2c3ccccc3c3cc(-c4cccc(C#N)c4)ccc32)c1.[C-]#[N+]c1ccccc1-c1ccc2c(c1)c1cc(-c3ccccc3C#N)ccc1n2-c1ccc(C(F)(F)F)cc1-c1c(C#N)cccc1-n1c2ccc(-c3ccccc3C#N)cc2c2cc(-c3ccccc3[N+]#[C-])ccc21.
What is the InChIKey of 3-[3-(2-cyanophenyl)-6-(2-isocyanophenyl)carbazol-9-yl]-2-[2-[3-(2-cyanophenyl)-6-(2-isocyanophenyl)carbazol-9-yl]-5-(trifluoromethyl)phenyl]benzonitrile;3-[3-(3-cyanophenyl)-6-(3-isocyanophenyl)carbazol-9-yl]-2-[2-[3-(3-cyanophenyl)-6-(3-isocyanophenyl)carbazol-9-yl]-5-(trifluoromethyl)phenyl]benzonitrile;3-[9-[2-[2-isocyano-6-[3-(3-isocyanophenyl)carbazol-9-yl]phenyl]-4-(trifluoromethyl)phenyl]carbazol-3-yl]benzonitrile?
The InChIKey is BGIMFIWPUPOOIE-UHFFFAOYSA-N. The full InChI is InChI=1S/2C66H34F3N7.C52H28F3N5/c1-73-52-15-5-12-44(30-52)48-20-24-60-55(34-48)54-32-46(42-10-3-8-40(28-42)37-70)18-23-59(54)75(60)63-27-22-51(66(67,68)69)36-58(63)65-50(39-72)14-7-17-64(65)76-61-25-19-47(43-11-4-9-41(29-43)38-71)33-56(61)57-35-49(21-26-62(57)76)45-13-6-16-53(31-45)74-2;1-73-57-19-9-7-17-50(57)42-24-29-60-54(34-42)52-32-40(48-15-5-3-12-44(48)37-70)22-27-59(52)75(60)63-31-26-47(66(67,68)69)36-56(63)65-46(39-72)14-11-21-64(65)76-61-28-23-41(49-16-6-4-13-45(49)38-71)33-53(61)55-35-43(25-30-62(55)76)51-18-8-10-20-58(51)74-2;1-57-38-13-8-12-34(27-38)36-21-24-48-42(29-36)40-15-4-6-18-46(40)60(48)50-19-9-16-44(58-2)51(50)43-30-37(52(53,54)55)22-25-49(43)59-45-17-5-3-14-39(45)41-28-35(20-23-47(41)59)33-11-7-10-32(26-33)31-56/h2*3-36H;3-30H.
What are the key properties of 3-[3-(2-cyanophenyl)-6-(2-isocyanophenyl)carbazol-9-yl]-2-[2-[3-(2-cyanophenyl)-6-(2-isocyanophenyl)carbazol-9-yl]-5-(trifluoromethyl)phenyl]benzonitrile;3-[3-(3-cyanophenyl)-6-(3-isocyanophenyl)carbazol-9-yl]-2-[2-[3-(3-cyanophenyl)-6-(3-isocyanophenyl)carbazol-9-yl]-5-(trifluoromethyl)phenyl]benzonitrile;3-[9-[2-[2-isocyano-6-[3-(3-isocyanophenyl)carbazol-9-yl]phenyl]-4-(trifluoromethyl)phenyl]carbazol-3-yl]benzonitrile?
3-[3-(2-cyanophenyl)-6-(2-isocyanophenyl)carbazol-9-yl]-2-[2-[3-(2-cyanophenyl)-6-(2-isocyanophenyl)carbazol-9-yl]-5-(trifluoromethyl)phenyl]benzonitrile;3-[3-(3-cyanophenyl)-6-(3-isocyanophenyl)carbazol-9-yl]-2-[2-[3-(3-cyanophenyl)-6-(3-isocyanophenyl)carbazol-9-yl]-5-(trifluoromethyl)phenyl]benzonitrile;3-[9-[2-[2-isocyano-6-[3-(3-isocyanophenyl)carbazol-9-yl]phenyl]-4-(trifluoromethyl)phenyl]carbazol-3-yl]benzonitrile has a molecular weight of 2743.91 g/mol, XLogP of 50.78, 19 rotatable bonds, 0 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(2-cyanophenyl)-6-(2-isocyanophenyl)carbazol-9-yl]-2-[2-[3-(2-cyanophenyl)-6-(2-isocyanophenyl)carbazol-9-yl]-5-(trifluoromethyl)phenyl]benzonitrile;3-[3-(3-cyanophenyl)-6-(3-isocyanophenyl)carbazol-9-yl]-2-[2-[3-(3-cyanophenyl)-6-(3-isocyanophenyl)carbazol-9-yl]-5-(trifluoromethyl)phenyl]benzonitrile;3-[9-[2-[2-isocyano-6-[3-(3-isocyanophenyl)carbazol-9-yl]phenyl]-4-(trifluoromethyl)phenyl]carbazol-3-yl]benzonitrile is sourced from PubChem (CID 157340547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).