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

C274H189F9N18 — CID 161018291

IUPAC9-[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
SMILES[C-]#[N+]c1ccc(-c2ccc3c(c2)c2ccccc2n3-c2ccc(-c3cc(C)cc(C(F)(F)F)c3)cc2-c2c([N+]#[C-])cccc2-n2c3ccccc3c3cc(-c4ccc(C#N)cc4)ccc32)cc1.[C-]#[N+]c1ccc(-c2ccc3c(c2)c2ccccc2n3-c2ccc(-c3cc(C)cc(C(F)(F)F)c3)cc2-c2c([N+]#[C-])cccc2-n2c3ccccc3c3cc(-c4ccc(C#N)cc4C#N)ccc32)c(C#N)c1.[C-]#[N+]c1cccc(-n2c3ccc(-c4cc(C)cc(C)c4)cc3c3cc(-c4cc(C)cc(C)c4)ccc32)c1-c1cc(-c2cc(C)cc(C)c2)ccc1-n1c2ccc(-c3cc(C)cc(C)c3)cc2c2cc(-c3cc(C)cc(C)c3)ccc21.[C-]#[N+]c1cccc(-n2c3ccc(-c4ccc(C)cc4C)cc3c3cc(-c4ccc(C)cc4C)ccc32)c1-c1cc(-c2cc(C)cc(C(F)(F)F)c2)ccc1-n1c2ccc(-c3ccc(C)cc3C)cc2c2cc(-c3ccc(C)cc3C)ccc21
InChIInChI=1S/C77H60F3N3.C77H63N3.C61H32F3N7.C59H34F3N5/c1-44-14-23-60(49(6)32-44)54-19-28-70-64(40-54)65-41-55(61-24-15-45(2)33-50(61)7)20-29-71(65)82(70)74-27-18-53(58-36-48(5)37-59(38-58)77(78,79)80)39-68(74)76-69(81-10)12-11-13-75(76)83-72-30-21-56(62-25-16-46(3)34-51(62)8)42-66(72)67-43-57(22-31-73(67)83)63-26-17-47(4)35-52(63)9;1-45-25-46(2)31-60(30-45)55-15-20-71-65(40-55)66-41-56(61-32-47(3)26-48(4)33-61)16-21-72(66)79(71)75-24-19-59(64-38-53(9)29-54(10)39-64)44-69(75)77-70(78-11)13-12-14-76(77)80-73-22-17-57(62-34-49(5)27-50(6)35-62)42-67(73)68-43-58(18-23-74(68)80)63-36-51(7)28-52(8)37-63;1-36-25-41(28-44(26-36)61(62,63)64)38-16-22-58(70-54-12-6-4-9-48(54)50-32-40(17-23-56(50)70)47-21-19-45(68-2)29-43(47)35-67)52(30-38)60-53(69-3)11-8-14-59(60)71-55-13-7-5-10-49(55)51-31-39(18-24-57(51)71)46-20-15-37(33-65)27-42(46)34-66;1-36-29-43(31-44(30-36)59(60,61)62)42-23-28-56(66-52-12-6-4-9-46(52)48-33-41(21-26-54(48)66)39-19-24-45(64-2)25-20-39)50(34-42)58-51(65-3)11-8-14-57(58)67-53-13-7-5-10-47(53)49-32-40(22-27-55(49)67)38-17-15-37(35-63)16-18-38/h11-43H,1-9H3;12-44H,1-10H3;4-32H,1H3;4-34H,1H3
InChIKeyTYACZDGXRGCYOW-UHFFFAOYSA-N
MW3904.63 g/mol
LogP77.19
Rot. Bonds28

About 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

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 (PubChem CID 161018291) has the molecular formula C274H189F9N18 and a molecular weight of 3904.63 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name9-[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
PubChem CID161018291
Molecular FormulaC274H189F9N18
Molecular Weight3904.63 g/mol
Exact Mass3901.52
IUPAC Name9-[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
SMILES[C-]#[N+]c1ccc(-c2ccc3c(c2)c2ccccc2n3-c2ccc(-c3cc(C)cc(C(F)(F)F)c3)cc2-c2c([N+]#[C-])cccc2-n2c3ccccc3c3cc(-c4ccc(C#N)cc4)ccc32)cc1.[C-]#[N+]c1ccc(-c2ccc3c(c2)c2ccccc2n3-c2ccc(-c3cc(C)cc(C(F)(F)F)c3)cc2-c2c([N+]#[C-])cccc2-n2c3ccccc3c3cc(-c4ccc(C#N)cc4C#N)ccc32)c(C#N)c1.[C-]#[N+]c1cccc(-n2c3ccc(-c4cc(C)cc(C)c4)cc3c3cc(-c4cc(C)cc(C)c4)ccc32)c1-c1cc(-c2cc(C)cc(C)c2)ccc1-n1c2ccc(-c3cc(C)cc(C)c3)cc2c2cc(-c3cc(C)cc(C)c3)ccc21.[C-]#[N+]c1cccc(-n2c3ccc(-c4ccc(C)cc4C)cc3c3cc(-c4ccc(C)cc4C)ccc32)c1-c1cc(-c2cc(C)cc(C(F)(F)F)c2)ccc1-n1c2ccc(-c3ccc(C)cc3C)cc2c2cc(-c3ccc(C)cc3C)ccc21
InChIInChI=1S/C77H60F3N3.C77H63N3.C61H32F3N7.C59H34F3N5/c1-44-14-23-60(49(6)32-44)54-19-28-70-64(40-54)65-41-55(61-24-15-45(2)33-50(61)7)20-29-71(65)82(70)74-27-18-53(58-36-48(5)37-59(38-58)77(78,79)80)39-68(74)76-69(81-10)12-11-13-75(76)83-72-30-21-56(62-25-16-46(3)34-51(62)8)42-66(72)67-43-57(22-31-73(67)83)63-26-17-47(4)35-52(63)9;1-45-25-46(2)31-60(30-45)55-15-20-71-65(40-55)66-41-56(61-32-47(3)26-48(4)33-61)16-21-72(66)79(71)75-24-19-59(64-38-53(9)29-54(10)39-64)44-69(75)77-70(78-11)13-12-14-76(77)80-73-22-17-57(62-34-49(5)27-50(6)35-62)42-67(73)68-43-58(18-23-74(68)80)63-36-51(7)28-52(8)37-63;1-36-25-41(28-44(26-36)61(62,63)64)38-16-22-58(70-54-12-6-4-9-48(54)50-32-40(17-23-56(50)70)47-21-19-45(68-2)29-43(47)35-67)52(30-38)60-53(69-3)11-8-14-59(60)71-55-13-7-5-10-49(55)51-31-39(18-24-57(51)71)46-20-15-37(33-65)27-42(46)34-66;1-36-29-43(31-44(30-36)59(60,61)62)42-23-28-56(66-52-12-6-4-9-46(52)48-33-41(21-26-54(48)66)39-19-24-45(64-2)25-20-39)50(34-42)58-51(65-3)11-8-14-57(58)67-53-13-7-5-10-47(53)49-32-40(22-27-55(49)67)38-17-15-37(35-63)16-18-38/h11-43H,1-9H3;12-44H,1-10H3;4-32H,1H3;4-34H,1H3
InChIKeyTYACZDGXRGCYOW-UHFFFAOYSA-N
XLogP77.19
TPSA160.76 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds28
Heavy Atoms301
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003904.63
LogP ≤ 577.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Analyze 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 with MolForge

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Related Compounds

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
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
4-[4-[3-(4-cyanophenyl)-6-(4-isocyanophenyl)carbazol-9-yl]-3-[2-[3-(4-cyanophenyl)-6-(4-isocyanophenyl)carbazol-9-yl]-6-isocyanophenyl]phenyl]-3-methylbenzonitrile
CID 161077006
4-[9-[5-cyano-2-[2-[3-(2,4-diisocyanophenyl)carbazol-9-yl]-4-[3-methyl-5-(trifluoromethyl)phenyl]phenyl]phenyl]carbazol-3-yl]benzene-1,3-dicarbonitrile
CID 157112803
4-[9-[2-[2-[3,6-bis(4-isocyanophenyl)carbazol-9-yl]-5-(2,6-dimethylphenyl)phenyl]-4-isocyanophenyl]-6-(4-cyanophenyl)carbazol-3-yl]benzonitrile;4-[9-[2-[2-[3-(2-cyano-4-isocyanophenyl)carbazol-9-yl]-5-[2-methyl-6-(trifluoromethyl)phenyl]phenyl]-4-isocyanophenyl]carbazol-3-yl]-3-isocyanobenzonitrile;4-[6-(4-cyano-2-isocyanophenyl)-9-[2-[2-[3-(2-cyano-4-isocyanophenyl)-6-(2,4-diisocyanophenyl)carbazol-9-yl]-5-(2,6-dimethylphenyl)phenyl]-4-isocyanophenyl]carbazol-3-yl]benzene-1,3-dicarbonitrile
CID 159985505
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
4-[4-[3,6-bis(2,4-dimethylphenyl)carbazol-9-yl]-3-[2-[3,6-bis(2,4-dimethylphenyl)carbazol-9-yl]-6-isocyanophenyl]phenyl]-3-methylbenzonitrile
CID 161184541
4-[4-[3,6-bis(4-methylphenyl)carbazol-9-yl]-3-[2-[3,6-bis(4-methylphenyl)carbazol-9-yl]-6-isocyanophenyl]phenyl]-3-methylbenzonitrile
CID 158238706
2-[2-(2-cyano-4-isocyanophenyl)carbazol-9-yl]-6-[2-(4-cyano-2-isocyanophenyl)carbazol-9-yl]-4-[3-methyl-5-(trifluoromethyl)phenyl]benzonitrile
CID 162228469
9-[3-isocyano-2-[2-(3-methylcarbazol-9-yl)-5-[2-methyl-4-(trifluoromethyl)phenyl]phenyl]phenyl]-3-methylcarbazole
CID 159158634
9-[2-[2-[3,6-bis(2,4,6-trimethylphenyl)carbazol-9-yl]-6-isocyanophenyl]-4-[3-methyl-5-(trifluoromethyl)phenyl]phenyl]-3,6-bis(2,4,6-trimethylphenyl)carbazole
CID 157206329
3-(2,4-dimethylphenyl)-9-[2-[2-[3-(2,4-dimethylphenyl)carbazol-9-yl]-6-isocyanophenyl]-3-[3-methyl-5-(trifluoromethyl)phenyl]phenyl]carbazole
CID 159181024

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is [C-]#[N+]c1ccc(-c2ccc3c(c2)c2ccccc2n3-c2ccc(-c3cc(C)cc(C(F)(F)F)c3)cc2-c2c([N+]#[C-])cccc2-n2c3ccccc3c3cc(-c4ccc(C#N)cc4)ccc32)cc1.[C-]#[N+]c1ccc(-c2ccc3c(c2)c2ccccc2n3-c2ccc(-c3cc(C)cc(C(F)(F)F)c3)cc2-c2c([N+]#[C-])cccc2-n2c3ccccc3c3cc(-c4ccc(C#N)cc4C#N)ccc32)c(C#N)c1.[C-]#[N+]c1cccc(-n2c3ccc(-c4cc(C)cc(C)c4)cc3c3cc(-c4cc(C)cc(C)c4)ccc32)c1-c1cc(-c2cc(C)cc(C)c2)ccc1-n1c2ccc(-c3cc(C)cc(C)c3)cc2c2cc(-c3cc(C)cc(C)c3)ccc21.[C-]#[N+]c1cccc(-n2c3ccc(-c4ccc(C)cc4C)cc3c3cc(-c4ccc(C)cc4C)ccc32)c1-c1cc(-c2cc(C)cc(C(F)(F)F)c2)ccc1-n1c2ccc(-c3ccc(C)cc3C)cc2c2cc(-c3ccc(C)cc3C)ccc21.
What is the InChIKey of 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?
The InChIKey is TYACZDGXRGCYOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C77H60F3N3.C77H63N3.C61H32F3N7.C59H34F3N5/c1-44-14-23-60(49(6)32-44)54-19-28-70-64(40-54)65-41-55(61-24-15-45(2)33-50(61)7)20-29-71(65)82(70)74-27-18-53(58-36-48(5)37-59(38-58)77(78,79)80)39-68(74)76-69(81-10)12-11-13-75(76)83-72-30-21-56(62-25-16-46(3)34-51(62)8)42-66(72)67-43-57(22-31-73(67)83)63-26-17-47(4)35-52(63)9;1-45-25-46(2)31-60(30-45)55-15-20-71-65(40-55)66-41-56(61-32-47(3)26-48(4)33-61)16-21-72(66)79(71)75-24-19-59(64-38-53(9)29-54(10)39-64)44-69(75)77-70(78-11)13-12-14-76(77)80-73-22-17-57(62-34-49(5)27-50(6)35-62)42-67(73)68-43-58(18-23-74(68)80)63-36-51(7)28-52(8)37-63;1-36-25-41(28-44(26-36)61(62,63)64)38-16-22-58(70-54-12-6-4-9-48(54)50-32-40(17-23-56(50)70)47-21-19-45(68-2)29-43(47)35-67)52(30-38)60-53(69-3)11-8-14-59(60)71-55-13-7-5-10-49(55)51-31-39(18-24-57(51)71)46-20-15-37(33-65)27-42(46)34-66;1-36-29-43(31-44(30-36)59(60,61)62)42-23-28-56(66-52-12-6-4-9-46(52)48-33-41(21-26-54(48)66)39-19-24-45(64-2)25-20-39)50(34-42)58-51(65-3)11-8-14-57(58)67-53-13-7-5-10-47(53)49-32-40(22-27-55(49)67)38-17-15-37(35-63)16-18-38/h11-43H,1-9H3;12-44H,1-10H3;4-32H,1H3;4-34H,1H3.
What are the key properties of 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?
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 has a molecular weight of 3904.63 g/mol, XLogP of 77.19, 28 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 161018291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).