3-tert-butyl-9-[2-[2-(3-tert-butylcarbazol-9-yl)-6-isocyanophenyl]-4-[3-methyl-5-(trifluoromethyl)phenyl]phenyl]carbazole;3,6-ditert-butyl-9-[2-[2-(3,6-ditert-butylcarbazol-9-yl)-6-isocyanophenyl]-4-[3-methyl-5-(trifluoromethyl)phenyl]phenyl]carbazole;9-[2-[2-(3,6-dimethylcarbazol-9-yl)-6-isocyanophenyl]-4-[3-methyl-5-(trifluoromethyl)phenyl]phenyl]-3,6-dimethylcarbazole;9-[2-[2-(3,6-diphenylcarbazol-9-yl)-6-isocyanophenyl]-4-[3-methyl-5-(trifluoromethyl)phenyl]phenyl]-3,6-diphenylcarbazole;9-[3-isocyano-2-[5-[3-methyl-5-(trifluoromethyl)phenyl]-2-(3-phenylcarbazol-9-yl)phenyl]phenyl]-3-phenylcarbazole

C289H220F15N15 — CID 161096824

IUPAC3-tert-butyl-9-[2-[2-(3-tert-butylcarbazol-9-yl)-6-isocyanophenyl]-4-[3-methyl-5-(trifluoromethyl)phenyl]phenyl]carbazole;3,6-ditert-butyl-9-[2-[2-(3,6-ditert-butylcarbazol-9-yl)-6-isocyanophenyl]-4-[3-methyl-5-(trifluoromethyl)phenyl]phenyl]carbazole;9-[2-[2-(3,6-dimethylcarbazol-9-yl)-6-isocyanophenyl]-4-[3-methyl-5-(trifluoromethyl)phenyl]phenyl]-3,6-dimethylcarbazole;9-[2-[2-(3,6-diphenylcarbazol-9-yl)-6-isocyanophenyl]-4-[3-methyl-5-(trifluoromethyl)phenyl]phenyl]-3,6-diphenylcarbazole;9-[3-isocyano-2-[5-[3-methyl-5-(trifluoromethyl)phenyl]-2-(3-phenylcarbazol-9-yl)phenyl]phenyl]-3-phenylcarbazole
SMILES[C-]#[N+]c1cccc(-n2c3ccc(-c4ccccc4)cc3c3cc(-c4ccccc4)ccc32)c1-c1cc(-c2cc(C)cc(C(F)(F)F)c2)ccc1-n1c2ccc(-c3ccccc3)cc2c2cc(-c3ccccc3)ccc21.[C-]#[N+]c1cccc(-n2c3ccc(C(C)(C)C)cc3c3cc(C(C)(C)C)ccc32)c1-c1cc(-c2cc(C)cc(C(F)(F)F)c2)ccc1-n1c2ccc(C(C)(C)C)cc2c2cc(C(C)(C)C)ccc21.[C-]#[N+]c1cccc(-n2c3ccc(C)cc3c3cc(C)ccc32)c1-c1cc(-c2cc(C)cc(C(F)(F)F)c2)ccc1-n1c2ccc(C)cc2c2cc(C)ccc21.[C-]#[N+]c1cccc(-n2c3ccccc3c3cc(-c4ccccc4)ccc32)c1-c1cc(-c2cc(C)cc(C(F)(F)F)c2)ccc1-n1c2ccccc2c2cc(-c3ccccc3)ccc21.[C-]#[N+]c1cccc(-n2c3ccccc3c3cc(C(C)(C)C)ccc32)c1-c1cc(-c2cc(C)cc(C(F)(F)F)c2)ccc1-n1c2ccccc2c2cc(C(C)(C)C)ccc21
InChIInChI=1S/C69H44F3N3.C61H60F3N3.C57H36F3N3.C53H44F3N3.C49H36F3N3/c1-44-36-54(38-55(37-44)69(70,71)72)53-30-35-66(74-62-31-26-49(45-16-7-3-8-17-45)39-56(62)57-40-50(27-32-63(57)74)46-18-9-4-10-19-46)60(43-53)68-61(73-2)24-15-25-67(68)75-64-33-28-51(47-20-11-5-12-21-47)41-58(64)59-42-52(29-34-65(59)75)48-22-13-6-14-23-48;1-36-28-38(30-43(29-36)61(62,63)64)37-18-23-54(66-50-24-19-39(57(2,3)4)32-44(50)45-33-40(58(5,6)7)20-25-51(45)66)48(31-37)56-49(65-14)16-15-17-55(56)67-52-26-21-41(59(8,9)10)34-46(52)47-35-42(60(11,12)13)22-27-53(47)67;1-36-30-42(32-43(31-36)57(58,59)60)41-26-29-54(62-50-21-11-9-18-44(50)46-33-39(24-27-52(46)62)37-14-5-3-6-15-37)48(35-41)56-49(61-2)20-13-23-55(56)63-51-22-12-10-19-45(51)47-34-40(25-28-53(47)63)38-16-7-4-8-17-38;1-32-26-34(28-37(27-32)53(54,55)56)33-20-23-48(58-44-17-11-9-14-38(44)40-30-35(51(2,3)4)21-24-46(40)58)42(29-33)50-43(57-8)16-13-19-49(50)59-45-18-12-10-15-39(45)41-31-36(52(5,6)7)22-25-47(41)59;1-28-10-15-42-36(22-28)37-23-29(2)11-16-43(37)54(42)46-19-14-33(34-20-32(5)21-35(26-34)49(50,51)52)27-40(46)48-41(53-6)8-7-9-47(48)55-44-17-12-30(3)24-38(44)39-25-31(4)13-18-45(39)55/h3-43H,1H3;15-35H,1-13H3;3-35H,1H3;9-31H,1-7H3;7-27H,1-5H3
InChIKeyUHXFRPUUWOABPD-UHFFFAOYSA-N
MW4188.01 g/mol
LogP84.48
Rot. Bonds26

About 3-tert-butyl-9-[2-[2-(3-tert-butylcarbazol-9-yl)-6-isocyanophenyl]-4-[3-methyl-5-(trifluoromethyl)phenyl]phenyl]carbazole;3,6-ditert-butyl-9-[2-[2-(3,6-ditert-butylcarbazol-9-yl)-6-isocyanophenyl]-4-[3-methyl-5-(trifluoromethyl)phenyl]phenyl]carbazole;9-[2-[2-(3,6-dimethylcarbazol-9-yl)-6-isocyanophenyl]-4-[3-methyl-5-(trifluoromethyl)phenyl]phenyl]-3,6-dimethylcarbazole;9-[2-[2-(3,6-diphenylcarbazol-9-yl)-6-isocyanophenyl]-4-[3-methyl-5-(trifluoromethyl)phenyl]phenyl]-3,6-diphenylcarbazole;9-[3-isocyano-2-[5-[3-methyl-5-(trifluoromethyl)phenyl]-2-(3-phenylcarbazol-9-yl)phenyl]phenyl]-3-phenylcarbazole

3-tert-butyl-9-[2-[2-(3-tert-butylcarbazol-9-yl)-6-isocyanophenyl]-4-[3-methyl-5-(trifluoromethyl)phenyl]phenyl]carbazole;3,6-ditert-butyl-9-[2-[2-(3,6-ditert-butylcarbazol-9-yl)-6-isocyanophenyl]-4-[3-methyl-5-(trifluoromethyl)phenyl]phenyl]carbazole;9-[2-[2-(3,6-dimethylcarbazol-9-yl)-6-isocyanophenyl]-4-[3-methyl-5-(trifluoromethyl)phenyl]phenyl]-3,6-dimethylcarbazole;9-[2-[2-(3,6-diphenylcarbazol-9-yl)-6-isocyanophenyl]-4-[3-methyl-5-(trifluoromethyl)phenyl]phenyl]-3,6-diphenylcarbazole;9-[3-isocyano-2-[5-[3-methyl-5-(trifluoromethyl)phenyl]-2-(3-phenylcarbazol-9-yl)phenyl]phenyl]-3-phenylcarbazole (PubChem CID 161096824) has the molecular formula C289H220F15N15 and a molecular weight of 4188.01 g/mol. Its IUPAC name is 3-tert-butyl-9-[2-[2-(3-tert-butylcarbazol-9-yl)-6-isocyanophenyl]-4-[3-methyl-5-(trifluoromethyl)phenyl]phenyl]carbazole;3,6-ditert-butyl-9-[2-[2-(3,6-ditert-butylcarbazol-9-yl)-6-isocyanophenyl]-4-[3-methyl-5-(trifluoromethyl)phenyl]phenyl]carbazole;9-[2-[2-(3,6-dimethylcarbazol-9-yl)-6-isocyanophenyl]-4-[3-methyl-5-(trifluoromethyl)phenyl]phenyl]-3,6-dimethylcarbazole;9-[2-[2-(3,6-diphenylcarbazol-9-yl)-6-isocyanophenyl]-4-[3-methyl-5-(trifluoromethyl)phenyl]phenyl]-3,6-diphenylcarbazole;9-[3-isocyano-2-[5-[3-methyl-5-(trifluoromethyl)phenyl]-2-(3-phenylcarbazol-9-yl)phenyl]phenyl]-3-phenylcarbazole.

Molecular Properties

Compound Name3-tert-butyl-9-[2-[2-(3-tert-butylcarbazol-9-yl)-6-isocyanophenyl]-4-[3-methyl-5-(trifluoromethyl)phenyl]phenyl]carbazole;3,6-ditert-butyl-9-[2-[2-(3,6-ditert-butylcarbazol-9-yl)-6-isocyanophenyl]-4-[3-methyl-5-(trifluoromethyl)phenyl]phenyl]carbazole;9-[2-[2-(3,6-dimethylcarbazol-9-yl)-6-isocyanophenyl]-4-[3-methyl-5-(trifluoromethyl)phenyl]phenyl]-3,6-dimethylcarbazole;9-[2-[2-(3,6-diphenylcarbazol-9-yl)-6-isocyanophenyl]-4-[3-methyl-5-(trifluoromethyl)phenyl]phenyl]-3,6-diphenylcarbazole;9-[3-isocyano-2-[5-[3-methyl-5-(trifluoromethyl)phenyl]-2-(3-phenylcarbazol-9-yl)phenyl]phenyl]-3-phenylcarbazole
PubChem CID161096824
Molecular FormulaC289H220F15N15
Molecular Weight4188.01 g/mol
Exact Mass4184.74
IUPAC Name3-tert-butyl-9-[2-[2-(3-tert-butylcarbazol-9-yl)-6-isocyanophenyl]-4-[3-methyl-5-(trifluoromethyl)phenyl]phenyl]carbazole;3,6-ditert-butyl-9-[2-[2-(3,6-ditert-butylcarbazol-9-yl)-6-isocyanophenyl]-4-[3-methyl-5-(trifluoromethyl)phenyl]phenyl]carbazole;9-[2-[2-(3,6-dimethylcarbazol-9-yl)-6-isocyanophenyl]-4-[3-methyl-5-(trifluoromethyl)phenyl]phenyl]-3,6-dimethylcarbazole;9-[2-[2-(3,6-diphenylcarbazol-9-yl)-6-isocyanophenyl]-4-[3-methyl-5-(trifluoromethyl)phenyl]phenyl]-3,6-diphenylcarbazole;9-[3-isocyano-2-[5-[3-methyl-5-(trifluoromethyl)phenyl]-2-(3-phenylcarbazol-9-yl)phenyl]phenyl]-3-phenylcarbazole
SMILES[C-]#[N+]c1cccc(-n2c3ccc(-c4ccccc4)cc3c3cc(-c4ccccc4)ccc32)c1-c1cc(-c2cc(C)cc(C(F)(F)F)c2)ccc1-n1c2ccc(-c3ccccc3)cc2c2cc(-c3ccccc3)ccc21.[C-]#[N+]c1cccc(-n2c3ccc(C(C)(C)C)cc3c3cc(C(C)(C)C)ccc32)c1-c1cc(-c2cc(C)cc(C(F)(F)F)c2)ccc1-n1c2ccc(C(C)(C)C)cc2c2cc(C(C)(C)C)ccc21.[C-]#[N+]c1cccc(-n2c3ccc(C)cc3c3cc(C)ccc32)c1-c1cc(-c2cc(C)cc(C(F)(F)F)c2)ccc1-n1c2ccc(C)cc2c2cc(C)ccc21.[C-]#[N+]c1cccc(-n2c3ccccc3c3cc(-c4ccccc4)ccc32)c1-c1cc(-c2cc(C)cc(C(F)(F)F)c2)ccc1-n1c2ccccc2c2cc(-c3ccccc3)ccc21.[C-]#[N+]c1cccc(-n2c3ccccc3c3cc(C(C)(C)C)ccc32)c1-c1cc(-c2cc(C)cc(C(F)(F)F)c2)ccc1-n1c2ccccc2c2cc(C(C)(C)C)ccc21
InChIInChI=1S/C69H44F3N3.C61H60F3N3.C57H36F3N3.C53H44F3N3.C49H36F3N3/c1-44-36-54(38-55(37-44)69(70,71)72)53-30-35-66(74-62-31-26-49(45-16-7-3-8-17-45)39-56(62)57-40-50(27-32-63(57)74)46-18-9-4-10-19-46)60(43-53)68-61(73-2)24-15-25-67(68)75-64-33-28-51(47-20-11-5-12-21-47)41-58(64)59-42-52(29-34-65(59)75)48-22-13-6-14-23-48;1-36-28-38(30-43(29-36)61(62,63)64)37-18-23-54(66-50-24-19-39(57(2,3)4)32-44(50)45-33-40(58(5,6)7)20-25-51(45)66)48(31-37)56-49(65-14)16-15-17-55(56)67-52-26-21-41(59(8,9)10)34-46(52)47-35-42(60(11,12)13)22-27-53(47)67;1-36-30-42(32-43(31-36)57(58,59)60)41-26-29-54(62-50-21-11-9-18-44(50)46-33-39(24-27-52(46)62)37-14-5-3-6-15-37)48(35-41)56-49(61-2)20-13-23-55(56)63-51-22-12-10-19-45(51)47-34-40(25-28-53(47)63)38-16-7-4-8-17-38;1-32-26-34(28-37(27-32)53(54,55)56)33-20-23-48(58-44-17-11-9-14-38(44)40-30-35(51(2,3)4)21-24-46(40)58)42(29-33)50-43(57-8)16-13-19-49(50)59-45-18-12-10-15-39(45)41-31-36(52(5,6)7)22-25-47(41)59;1-28-10-15-42-36(22-28)37-23-29(2)11-16-43(37)54(42)46-19-14-33(34-20-32(5)21-35(26-34)49(50,51)52)27-40(46)48-41(53-6)8-7-9-47(48)55-44-17-12-30(3)24-38(44)39-25-31(4)13-18-45(39)55/h3-43H,1H3;15-35H,1-13H3;3-35H,1H3;9-31H,1-7H3;7-27H,1-5H3
InChIKeyUHXFRPUUWOABPD-UHFFFAOYSA-N
XLogP84.48
TPSA71.10 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds26
Heavy Atoms319
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5004188.01
LogP ≤ 584.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Analyze 3-tert-butyl-9-[2-[2-(3-tert-butylcarbazol-9-yl)-6-isocyanophenyl]-4-[3-methyl-5-(trifluoromethyl)phenyl]phenyl]carbazole;3,6-ditert-butyl-9-[2-[2-(3,6-ditert-butylcarbazol-9-yl)-6-isocyanophenyl]-4-[3-methyl-5-(trifluoromethyl)phenyl]phenyl]carbazole;9-[2-[2-(3,6-dimethylcarbazol-9-yl)-6-isocyanophenyl]-4-[3-methyl-5-(trifluoromethyl)phenyl]phenyl]-3,6-dimethylcarbazole;9-[2-[2-(3,6-diphenylcarbazol-9-yl)-6-isocyanophenyl]-4-[3-methyl-5-(trifluoromethyl)phenyl]phenyl]-3,6-diphenylcarbazole;9-[3-isocyano-2-[5-[3-methyl-5-(trifluoromethyl)phenyl]-2-(3-phenylcarbazol-9-yl)phenyl]phenyl]-3-phenylcarbazole with MolForge

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Related Compounds

9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-[2-isocyano-6-[3-[3-methyl-5-(trifluoromethyl)phenyl]carbazol-9-yl]phenyl]phenyl]-3-[3-methyl-5-(trifluoromethyl)phenyl]carbazole
CID 158456753
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
9-[3-isocyano-2-[2-(3-methylcarbazol-9-yl)-5-[2-methyl-4-(trifluoromethyl)phenyl]phenyl]phenyl]-3-methylcarbazole
CID 159158634
3-tert-butyl-9-[2-[2-(3-tert-butylcarbazol-9-yl)-6-isocyanophenyl]-4-[2-methyl-6-(trifluoromethyl)phenyl]phenyl]carbazole
CID 160823223
9-[3-isocyano-2-[2-[3-(3-methylphenyl)carbazol-9-yl]-5-[2-methyl-6-(trifluoromethyl)phenyl]phenyl]phenyl]-3-(3-methylphenyl)carbazole
CID 158331682
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
9-[4-isocyano-3-[5-[3-methyl-5-(trifluoromethyl)phenyl]-2-(3-phenylcarbazol-9-yl)phenyl]phenyl]-3-phenylcarbazole
CID 158217154
9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-[2-isocyano-6-[3-(3-methylphenyl)carbazol-9-yl]phenyl]phenyl]-3-(3-methylphenyl)carbazole
CID 154603036
9-[2-[2-[3,6-bis(3,5-dimethylphenyl)carbazol-9-yl]-6-isocyanophenyl]-3-[3-methyl-5-(trifluoromethyl)phenyl]phenyl]-3,6-bis(3,5-dimethylphenyl)carbazole
CID 159969988
3,6-di(carbazol-9-yl)-9-[2-[2-[3,6-di(carbazol-9-yl)carbazol-9-yl]-5-(3,5-dimethylphenyl)phenyl]-3-isocyanophenyl]carbazole
CID 162186622
9-[3-[3,5-bis(trifluoromethyl)phenyl]-2-[2-(3-carbazol-9-ylcarbazol-9-yl)-6-isocyanophenyl]phenyl]-3-carbazol-9-ylcarbazole;3-[2,4-bis(trifluoromethyl)phenyl]-9-[2-[2-[3-(2,4-dimethylphenyl)carbazol-9-yl]-6-isocyanophenyl]-3-[3-methyl-5-(trifluoromethyl)phenyl]phenyl]carbazole;3,6-di(carbazol-9-yl)-9-[2-[2-[3,6-di(carbazol-9-yl)carbazol-9-yl]-5-(3,5-dimethylphenyl)phenyl]-3-isocyanophenyl]carbazole
CID 162186620
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 3-tert-butyl-9-[2-[2-(3-tert-butylcarbazol-9-yl)-6-isocyanophenyl]-4-[3-methyl-5-(trifluoromethyl)phenyl]phenyl]carbazole;3,6-ditert-butyl-9-[2-[2-(3,6-ditert-butylcarbazol-9-yl)-6-isocyanophenyl]-4-[3-methyl-5-(trifluoromethyl)phenyl]phenyl]carbazole;9-[2-[2-(3,6-dimethylcarbazol-9-yl)-6-isocyanophenyl]-4-[3-methyl-5-(trifluoromethyl)phenyl]phenyl]-3,6-dimethylcarbazole;9-[2-[2-(3,6-diphenylcarbazol-9-yl)-6-isocyanophenyl]-4-[3-methyl-5-(trifluoromethyl)phenyl]phenyl]-3,6-diphenylcarbazole;9-[3-isocyano-2-[5-[3-methyl-5-(trifluoromethyl)phenyl]-2-(3-phenylcarbazol-9-yl)phenyl]phenyl]-3-phenylcarbazole?
The IUPAC name of 3-tert-butyl-9-[2-[2-(3-tert-butylcarbazol-9-yl)-6-isocyanophenyl]-4-[3-methyl-5-(trifluoromethyl)phenyl]phenyl]carbazole;3,6-ditert-butyl-9-[2-[2-(3,6-ditert-butylcarbazol-9-yl)-6-isocyanophenyl]-4-[3-methyl-5-(trifluoromethyl)phenyl]phenyl]carbazole;9-[2-[2-(3,6-dimethylcarbazol-9-yl)-6-isocyanophenyl]-4-[3-methyl-5-(trifluoromethyl)phenyl]phenyl]-3,6-dimethylcarbazole;9-[2-[2-(3,6-diphenylcarbazol-9-yl)-6-isocyanophenyl]-4-[3-methyl-5-(trifluoromethyl)phenyl]phenyl]-3,6-diphenylcarbazole;9-[3-isocyano-2-[5-[3-methyl-5-(trifluoromethyl)phenyl]-2-(3-phenylcarbazol-9-yl)phenyl]phenyl]-3-phenylcarbazole (CID 161096824) is 3-tert-butyl-9-[2-[2-(3-tert-butylcarbazol-9-yl)-6-isocyanophenyl]-4-[3-methyl-5-(trifluoromethyl)phenyl]phenyl]carbazole;3,6-ditert-butyl-9-[2-[2-(3,6-ditert-butylcarbazol-9-yl)-6-isocyanophenyl]-4-[3-methyl-5-(trifluoromethyl)phenyl]phenyl]carbazole;9-[2-[2-(3,6-dimethylcarbazol-9-yl)-6-isocyanophenyl]-4-[3-methyl-5-(trifluoromethyl)phenyl]phenyl]-3,6-dimethylcarbazole;9-[2-[2-(3,6-diphenylcarbazol-9-yl)-6-isocyanophenyl]-4-[3-methyl-5-(trifluoromethyl)phenyl]phenyl]-3,6-diphenylcarbazole;9-[3-isocyano-2-[5-[3-methyl-5-(trifluoromethyl)phenyl]-2-(3-phenylcarbazol-9-yl)phenyl]phenyl]-3-phenylcarbazole.
What is the SMILES notation for 3-tert-butyl-9-[2-[2-(3-tert-butylcarbazol-9-yl)-6-isocyanophenyl]-4-[3-methyl-5-(trifluoromethyl)phenyl]phenyl]carbazole;3,6-ditert-butyl-9-[2-[2-(3,6-ditert-butylcarbazol-9-yl)-6-isocyanophenyl]-4-[3-methyl-5-(trifluoromethyl)phenyl]phenyl]carbazole;9-[2-[2-(3,6-dimethylcarbazol-9-yl)-6-isocyanophenyl]-4-[3-methyl-5-(trifluoromethyl)phenyl]phenyl]-3,6-dimethylcarbazole;9-[2-[2-(3,6-diphenylcarbazol-9-yl)-6-isocyanophenyl]-4-[3-methyl-5-(trifluoromethyl)phenyl]phenyl]-3,6-diphenylcarbazole;9-[3-isocyano-2-[5-[3-methyl-5-(trifluoromethyl)phenyl]-2-(3-phenylcarbazol-9-yl)phenyl]phenyl]-3-phenylcarbazole?
The canonical SMILES for 3-tert-butyl-9-[2-[2-(3-tert-butylcarbazol-9-yl)-6-isocyanophenyl]-4-[3-methyl-5-(trifluoromethyl)phenyl]phenyl]carbazole;3,6-ditert-butyl-9-[2-[2-(3,6-ditert-butylcarbazol-9-yl)-6-isocyanophenyl]-4-[3-methyl-5-(trifluoromethyl)phenyl]phenyl]carbazole;9-[2-[2-(3,6-dimethylcarbazol-9-yl)-6-isocyanophenyl]-4-[3-methyl-5-(trifluoromethyl)phenyl]phenyl]-3,6-dimethylcarbazole;9-[2-[2-(3,6-diphenylcarbazol-9-yl)-6-isocyanophenyl]-4-[3-methyl-5-(trifluoromethyl)phenyl]phenyl]-3,6-diphenylcarbazole;9-[3-isocyano-2-[5-[3-methyl-5-(trifluoromethyl)phenyl]-2-(3-phenylcarbazol-9-yl)phenyl]phenyl]-3-phenylcarbazole is [C-]#[N+]c1cccc(-n2c3ccc(-c4ccccc4)cc3c3cc(-c4ccccc4)ccc32)c1-c1cc(-c2cc(C)cc(C(F)(F)F)c2)ccc1-n1c2ccc(-c3ccccc3)cc2c2cc(-c3ccccc3)ccc21.[C-]#[N+]c1cccc(-n2c3ccc(C(C)(C)C)cc3c3cc(C(C)(C)C)ccc32)c1-c1cc(-c2cc(C)cc(C(F)(F)F)c2)ccc1-n1c2ccc(C(C)(C)C)cc2c2cc(C(C)(C)C)ccc21.[C-]#[N+]c1cccc(-n2c3ccc(C)cc3c3cc(C)ccc32)c1-c1cc(-c2cc(C)cc(C(F)(F)F)c2)ccc1-n1c2ccc(C)cc2c2cc(C)ccc21.[C-]#[N+]c1cccc(-n2c3ccccc3c3cc(-c4ccccc4)ccc32)c1-c1cc(-c2cc(C)cc(C(F)(F)F)c2)ccc1-n1c2ccccc2c2cc(-c3ccccc3)ccc21.[C-]#[N+]c1cccc(-n2c3ccccc3c3cc(C(C)(C)C)ccc32)c1-c1cc(-c2cc(C)cc(C(F)(F)F)c2)ccc1-n1c2ccccc2c2cc(C(C)(C)C)ccc21.
What is the InChIKey of 3-tert-butyl-9-[2-[2-(3-tert-butylcarbazol-9-yl)-6-isocyanophenyl]-4-[3-methyl-5-(trifluoromethyl)phenyl]phenyl]carbazole;3,6-ditert-butyl-9-[2-[2-(3,6-ditert-butylcarbazol-9-yl)-6-isocyanophenyl]-4-[3-methyl-5-(trifluoromethyl)phenyl]phenyl]carbazole;9-[2-[2-(3,6-dimethylcarbazol-9-yl)-6-isocyanophenyl]-4-[3-methyl-5-(trifluoromethyl)phenyl]phenyl]-3,6-dimethylcarbazole;9-[2-[2-(3,6-diphenylcarbazol-9-yl)-6-isocyanophenyl]-4-[3-methyl-5-(trifluoromethyl)phenyl]phenyl]-3,6-diphenylcarbazole;9-[3-isocyano-2-[5-[3-methyl-5-(trifluoromethyl)phenyl]-2-(3-phenylcarbazol-9-yl)phenyl]phenyl]-3-phenylcarbazole?
The InChIKey is UHXFRPUUWOABPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C69H44F3N3.C61H60F3N3.C57H36F3N3.C53H44F3N3.C49H36F3N3/c1-44-36-54(38-55(37-44)69(70,71)72)53-30-35-66(74-62-31-26-49(45-16-7-3-8-17-45)39-56(62)57-40-50(27-32-63(57)74)46-18-9-4-10-19-46)60(43-53)68-61(73-2)24-15-25-67(68)75-64-33-28-51(47-20-11-5-12-21-47)41-58(64)59-42-52(29-34-65(59)75)48-22-13-6-14-23-48;1-36-28-38(30-43(29-36)61(62,63)64)37-18-23-54(66-50-24-19-39(57(2,3)4)32-44(50)45-33-40(58(5,6)7)20-25-51(45)66)48(31-37)56-49(65-14)16-15-17-55(56)67-52-26-21-41(59(8,9)10)34-46(52)47-35-42(60(11,12)13)22-27-53(47)67;1-36-30-42(32-43(31-36)57(58,59)60)41-26-29-54(62-50-21-11-9-18-44(50)46-33-39(24-27-52(46)62)37-14-5-3-6-15-37)48(35-41)56-49(61-2)20-13-23-55(56)63-51-22-12-10-19-45(51)47-34-40(25-28-53(47)63)38-16-7-4-8-17-38;1-32-26-34(28-37(27-32)53(54,55)56)33-20-23-48(58-44-17-11-9-14-38(44)40-30-35(51(2,3)4)21-24-46(40)58)42(29-33)50-43(57-8)16-13-19-49(50)59-45-18-12-10-15-39(45)41-31-36(52(5,6)7)22-25-47(41)59;1-28-10-15-42-36(22-28)37-23-29(2)11-16-43(37)54(42)46-19-14-33(34-20-32(5)21-35(26-34)49(50,51)52)27-40(46)48-41(53-6)8-7-9-47(48)55-44-17-12-30(3)24-38(44)39-25-31(4)13-18-45(39)55/h3-43H,1H3;15-35H,1-13H3;3-35H,1H3;9-31H,1-7H3;7-27H,1-5H3.
What are the key properties of 3-tert-butyl-9-[2-[2-(3-tert-butylcarbazol-9-yl)-6-isocyanophenyl]-4-[3-methyl-5-(trifluoromethyl)phenyl]phenyl]carbazole;3,6-ditert-butyl-9-[2-[2-(3,6-ditert-butylcarbazol-9-yl)-6-isocyanophenyl]-4-[3-methyl-5-(trifluoromethyl)phenyl]phenyl]carbazole;9-[2-[2-(3,6-dimethylcarbazol-9-yl)-6-isocyanophenyl]-4-[3-methyl-5-(trifluoromethyl)phenyl]phenyl]-3,6-dimethylcarbazole;9-[2-[2-(3,6-diphenylcarbazol-9-yl)-6-isocyanophenyl]-4-[3-methyl-5-(trifluoromethyl)phenyl]phenyl]-3,6-diphenylcarbazole;9-[3-isocyano-2-[5-[3-methyl-5-(trifluoromethyl)phenyl]-2-(3-phenylcarbazol-9-yl)phenyl]phenyl]-3-phenylcarbazole?
3-tert-butyl-9-[2-[2-(3-tert-butylcarbazol-9-yl)-6-isocyanophenyl]-4-[3-methyl-5-(trifluoromethyl)phenyl]phenyl]carbazole;3,6-ditert-butyl-9-[2-[2-(3,6-ditert-butylcarbazol-9-yl)-6-isocyanophenyl]-4-[3-methyl-5-(trifluoromethyl)phenyl]phenyl]carbazole;9-[2-[2-(3,6-dimethylcarbazol-9-yl)-6-isocyanophenyl]-4-[3-methyl-5-(trifluoromethyl)phenyl]phenyl]-3,6-dimethylcarbazole;9-[2-[2-(3,6-diphenylcarbazol-9-yl)-6-isocyanophenyl]-4-[3-methyl-5-(trifluoromethyl)phenyl]phenyl]-3,6-diphenylcarbazole;9-[3-isocyano-2-[5-[3-methyl-5-(trifluoromethyl)phenyl]-2-(3-phenylcarbazol-9-yl)phenyl]phenyl]-3-phenylcarbazole has a molecular weight of 4188.01 g/mol, XLogP of 84.48, 26 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-9-[2-[2-(3-tert-butylcarbazol-9-yl)-6-isocyanophenyl]-4-[3-methyl-5-(trifluoromethyl)phenyl]phenyl]carbazole;3,6-ditert-butyl-9-[2-[2-(3,6-ditert-butylcarbazol-9-yl)-6-isocyanophenyl]-4-[3-methyl-5-(trifluoromethyl)phenyl]phenyl]carbazole;9-[2-[2-(3,6-dimethylcarbazol-9-yl)-6-isocyanophenyl]-4-[3-methyl-5-(trifluoromethyl)phenyl]phenyl]-3,6-dimethylcarbazole;9-[2-[2-(3,6-diphenylcarbazol-9-yl)-6-isocyanophenyl]-4-[3-methyl-5-(trifluoromethyl)phenyl]phenyl]-3,6-diphenylcarbazole;9-[3-isocyano-2-[5-[3-methyl-5-(trifluoromethyl)phenyl]-2-(3-phenylcarbazol-9-yl)phenyl]phenyl]-3-phenylcarbazole is sourced from PubChem (CID 161096824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).