4-tert-butyl-N-[4-[4-(4-tert-butyl-N-(4-tert-butylphenyl)anilino)phenyl]sulfonylphenyl]-N-(4-tert-butylphenyl)aniline;3-carbazol-9-yl-9-[4-(3-carbazol-9-ylcarbazol-9-yl)-6-phenyl-1,3,5-triazin-2-yl]carbazole;4,5-di(carbazol-9-yl)benzene-1,2-dicarbonitrile;7'-isocyano-10-phenylspiro[acridine-9,9'-fluorene]-2'-carbonitrile

C174H132N16O2S — CID 159767214

IUPAC4-tert-butyl-N-[4-[4-(4-tert-butyl-N-(4-tert-butylphenyl)anilino)phenyl]sulfonylphenyl]-N-(4-tert-butylphenyl)aniline;3-carbazol-9-yl-9-[4-(3-carbazol-9-ylcarbazol-9-yl)-6-phenyl-1,3,5-triazin-2-yl]carbazole;4,5-di(carbazol-9-yl)benzene-1,2-dicarbonitrile;7'-isocyano-10-phenylspiro[acridine-9,9'-fluorene]-2'-carbonitrile
SMILESCC(C)(C)c1ccc(N(c2ccc(C(C)(C)C)cc2)c2ccc(S(=O)(=O)c3ccc(N(c4ccc(C(C)(C)C)cc4)c4ccc(C(C)(C)C)cc4)cc3)cc2)cc1.N#Cc1cc(-n2c3ccccc3c3ccccc32)c(-n2c3ccccc3c3ccccc32)cc1C#N.[C-]#[N+]c1ccc2c(c1)C1(c3cc(C#N)ccc3-2)c2ccccc2N(c2ccccc2)c2ccccc21.c1ccc(-c2nc(-n3c4ccccc4c4cc(-n5c6ccccc6c6ccccc65)ccc43)nc(-n3c4ccccc4c4cc(-n5c6ccccc6c6ccccc65)ccc43)n2)cc1
InChIInChI=1S/C57H35N7.C52H60N2O2S.C33H19N3.C32H18N4/c1-2-16-36(17-3-1)55-58-56(63-51-28-14-8-22-43(51)45-34-37(30-32-53(45)63)61-47-24-10-4-18-39(47)40-19-5-11-25-48(40)61)60-57(59-55)64-52-29-15-9-23-44(52)46-35-38(31-33-54(46)64)62-49-26-12-6-20-41(49)42-21-7-13-27-50(42)62;1-49(2,3)37-13-21-41(22-14-37)53(42-23-15-38(16-24-42)50(4,5)6)45-29-33-47(34-30-45)57(55,56)48-35-31-46(32-36-48)54(43-25-17-39(18-26-43)51(7,8)9)44-27-19-40(20-28-44)52(10,11)12;1-35-23-16-18-26-25-17-15-22(21-34)19-29(25)33(30(26)20-23)27-11-5-7-13-31(27)36(24-9-3-2-4-10-24)32-14-8-6-12-28(32)33;33-19-21-17-31(35-27-13-5-1-9-23(27)24-10-2-6-14-28(24)35)32(18-22(21)20-34)36-29-15-7-3-11-25(29)26-12-4-8-16-30(26)36/h1-35H;13-36H,1-12H3;2-20H;1-18H
InChIKeyNFQQIOPLRKXVBC-UHFFFAOYSA-N
MW2511.15 g/mol
LogP44.46
Rot. Bonds16

About 4-tert-butyl-N-[4-[4-(4-tert-butyl-N-(4-tert-butylphenyl)anilino)phenyl]sulfonylphenyl]-N-(4-tert-butylphenyl)aniline;3-carbazol-9-yl-9-[4-(3-carbazol-9-ylcarbazol-9-yl)-6-phenyl-1,3,5-triazin-2-yl]carbazole;4,5-di(carbazol-9-yl)benzene-1,2-dicarbonitrile;7'-isocyano-10-phenylspiro[acridine-9,9'-fluorene]-2'-carbonitrile

4-tert-butyl-N-[4-[4-(4-tert-butyl-N-(4-tert-butylphenyl)anilino)phenyl]sulfonylphenyl]-N-(4-tert-butylphenyl)aniline;3-carbazol-9-yl-9-[4-(3-carbazol-9-ylcarbazol-9-yl)-6-phenyl-1,3,5-triazin-2-yl]carbazole;4,5-di(carbazol-9-yl)benzene-1,2-dicarbonitrile;7'-isocyano-10-phenylspiro[acridine-9,9'-fluorene]-2'-carbonitrile (PubChem CID 159767214) has the molecular formula C174H132N16O2S and a molecular weight of 2511.15 g/mol. Its IUPAC name is 4-tert-butyl-N-[4-[4-(4-tert-butyl-N-(4-tert-butylphenyl)anilino)phenyl]sulfonylphenyl]-N-(4-tert-butylphenyl)aniline;3-carbazol-9-yl-9-[4-(3-carbazol-9-ylcarbazol-9-yl)-6-phenyl-1,3,5-triazin-2-yl]carbazole;4,5-di(carbazol-9-yl)benzene-1,2-dicarbonitrile;7'-isocyano-10-phenylspiro[acridine-9,9'-fluorene]-2'-carbonitrile.

Molecular Properties

Compound Name4-tert-butyl-N-[4-[4-(4-tert-butyl-N-(4-tert-butylphenyl)anilino)phenyl]sulfonylphenyl]-N-(4-tert-butylphenyl)aniline;3-carbazol-9-yl-9-[4-(3-carbazol-9-ylcarbazol-9-yl)-6-phenyl-1,3,5-triazin-2-yl]carbazole;4,5-di(carbazol-9-yl)benzene-1,2-dicarbonitrile;7'-isocyano-10-phenylspiro[acridine-9,9'-fluorene]-2'-carbonitrile
PubChem CID159767214
Molecular FormulaC174H132N16O2S
Molecular Weight2511.15 g/mol
Exact Mass2509.04
IUPAC Name4-tert-butyl-N-[4-[4-(4-tert-butyl-N-(4-tert-butylphenyl)anilino)phenyl]sulfonylphenyl]-N-(4-tert-butylphenyl)aniline;3-carbazol-9-yl-9-[4-(3-carbazol-9-ylcarbazol-9-yl)-6-phenyl-1,3,5-triazin-2-yl]carbazole;4,5-di(carbazol-9-yl)benzene-1,2-dicarbonitrile;7'-isocyano-10-phenylspiro[acridine-9,9'-fluorene]-2'-carbonitrile
SMILESCC(C)(C)c1ccc(N(c2ccc(C(C)(C)C)cc2)c2ccc(S(=O)(=O)c3ccc(N(c4ccc(C(C)(C)C)cc4)c4ccc(C(C)(C)C)cc4)cc3)cc2)cc1.N#Cc1cc(-n2c3ccccc3c3ccccc32)c(-n2c3ccccc3c3ccccc32)cc1C#N.[C-]#[N+]c1ccc2c(c1)C1(c3cc(C#N)ccc3-2)c2ccccc2N(c2ccccc2)c2ccccc21.c1ccc(-c2nc(-n3c4ccccc4c4cc(-n5c6ccccc6c6ccccc65)ccc43)nc(-n3c4ccccc4c4cc(-n5c6ccccc6c6ccccc65)ccc43)n2)cc1
InChIInChI=1S/C57H35N7.C52H60N2O2S.C33H19N3.C32H18N4/c1-2-16-36(17-3-1)55-58-56(63-51-28-14-8-22-43(51)45-34-37(30-32-53(45)63)61-47-24-10-4-18-39(47)40-19-5-11-25-48(40)61)60-57(59-55)64-52-29-15-9-23-44(52)46-35-38(31-33-54(46)64)62-49-26-12-6-20-41(49)42-21-7-13-27-50(42)62;1-49(2,3)37-13-21-41(22-14-37)53(42-23-15-38(16-24-42)50(4,5)6)45-29-33-47(34-30-45)57(55,56)48-35-31-46(32-36-48)54(43-25-17-39(18-26-43)51(7,8)9)44-27-19-40(20-28-44)52(10,11)12;1-35-23-16-18-26-25-17-15-22(21-34)19-29(25)33(30(26)20-23)27-11-5-7-13-31(27)36(24-9-3-2-4-10-24)32-14-8-6-12-28(32)33;33-19-21-17-31(35-27-13-5-1-9-23(27)24-10-2-6-14-28(24)35)32(18-22(21)20-34)36-29-15-7-3-11-25(29)26-12-4-8-16-30(26)36/h1-35H;13-36H,1-12H3;2-20H;1-18H
InChIKeyNFQQIOPLRKXVBC-UHFFFAOYSA-N
XLogP44.46
TPSA187.84 Ų
H-Bond Donors
H-Bond Acceptors17
Rotatable Bonds16
Heavy Atoms193
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002511.15
LogP ≤ 544.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1017

Computed Properties (RDKit)

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

Analyze 4-tert-butyl-N-[4-[4-(4-tert-butyl-N-(4-tert-butylphenyl)anilino)phenyl]sulfonylphenyl]-N-(4-tert-butylphenyl)aniline;3-carbazol-9-yl-9-[4-(3-carbazol-9-ylcarbazol-9-yl)-6-phenyl-1,3,5-triazin-2-yl]carbazole;4,5-di(carbazol-9-yl)benzene-1,2-dicarbonitrile;7'-isocyano-10-phenylspiro[acridine-9,9'-fluorene]-2'-carbonitrile with MolForge

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Related Compounds

3-carbazol-9-yl-9-[4-(3-carbazol-9-ylcarbazol-9-yl)-6-phenyl-1,3,5-triazin-2-yl]carbazole;7-isocyano-2',7'-bis(4-methyl-N-(4-methylphenyl)anilino)-9,9'-spirobi[fluorene]-2-carbonitrile;2-isocyano-2-(10-phenylspiro[acridine-9,10'-anthracene]-9'-ylidene)acetonitrile;10-phenylspiro[acridine-9,10'-anthracene]-9'-one
CID 158031632
3-carbazol-9-yl-9-[4-(3-carbazol-9-ylcarbazol-9-yl)-6-phenyl-1,3,5-triazin-2-yl]carbazole;7-isocyano-2',7'-bis(4-methyl-N-(4-methylphenyl)anilino)-9,9'-spirobi[fluorene]-2-carbonitrile;4-phenyl-2-[4-(5-phenylindolo[3,2-c]carbazol-12-yl)phenyl]-[1]benzothiolo[3,2-d]pyrimidine;10-phenylspiro[acridine-9,10'-anthracene]-9'-one
CID 157484559
2-[4-(N-(3,5-diphenylphenyl)anilino)phenyl]-7'-isocyano-10-phenylspiro[acridine-9,9'-fluorene]-2'-carbonitrile
CID 140827092
7'-isocyano-10-(3-pyrido[4,3-b]indol-5-ylphenyl)spiro[acridine-9,9'-fluorene]-2'-carbonitrile
CID 140761302
4-[4-[5,25-bis(4,6-diphenyl-1,3,5-triazin-2-yl)-5,15,25-triazaheptacyclo[14.11.0.02,14.04,12.06,11.018,26.019,24]heptacosa-1(16),2(14),3,6,8,10,12,17,19,21,23,26-dodecaen-15-yl]phenyl]sulfonylbenzonitrile
CID 171844618
9-[4-cyano-2-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-(3-isocyanocarbazol-9-yl)phenyl]phenyl]-6-isocyanocarbazole-3-carbonitrile
CID 154603054
3-[9-[4-(7'-isocyano-9,9'-spirobi[fluorene]-2'-yl)-6-phenyl-1,3,5-triazin-2-yl]carbazol-2-yl]-9-phenylcarbazole
CID 123258860
5-[3-(N-(4-cyanophenyl)anilino)-6-(N-(4-isocyanophenyl)anilino)carbazol-9-yl]-2-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]benzonitrile
CID 140779396
3-(3-carbazol-9-ylcarbazol-9-yl)-4-[2-(3-carbazol-9-ylcarbazol-9-yl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]benzonitrile
CID 142533865
9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-[3-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-(3-isocyanocarbazol-9-yl)phenyl]phenyl]phenyl]carbazole-3-carbonitrile
CID 162500621
10-(4,6-diphenyl-1,3,5-triazin-2-yl)-21-phenylspiro[10,21-diazapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene-14,9'-fluorene]
CID 66804868
3-[3-(4-cyanophenyl)carbazol-9-yl]-4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-[3-(4-isocyanophenyl)carbazol-9-yl]phenyl]benzonitrile
CID 154603045

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N-[4-[4-(4-tert-butyl-N-(4-tert-butylphenyl)anilino)phenyl]sulfonylphenyl]-N-(4-tert-butylphenyl)aniline;3-carbazol-9-yl-9-[4-(3-carbazol-9-ylcarbazol-9-yl)-6-phenyl-1,3,5-triazin-2-yl]carbazole;4,5-di(carbazol-9-yl)benzene-1,2-dicarbonitrile;7'-isocyano-10-phenylspiro[acridine-9,9'-fluorene]-2'-carbonitrile?
The IUPAC name of 4-tert-butyl-N-[4-[4-(4-tert-butyl-N-(4-tert-butylphenyl)anilino)phenyl]sulfonylphenyl]-N-(4-tert-butylphenyl)aniline;3-carbazol-9-yl-9-[4-(3-carbazol-9-ylcarbazol-9-yl)-6-phenyl-1,3,5-triazin-2-yl]carbazole;4,5-di(carbazol-9-yl)benzene-1,2-dicarbonitrile;7'-isocyano-10-phenylspiro[acridine-9,9'-fluorene]-2'-carbonitrile (CID 159767214) is 4-tert-butyl-N-[4-[4-(4-tert-butyl-N-(4-tert-butylphenyl)anilino)phenyl]sulfonylphenyl]-N-(4-tert-butylphenyl)aniline;3-carbazol-9-yl-9-[4-(3-carbazol-9-ylcarbazol-9-yl)-6-phenyl-1,3,5-triazin-2-yl]carbazole;4,5-di(carbazol-9-yl)benzene-1,2-dicarbonitrile;7'-isocyano-10-phenylspiro[acridine-9,9'-fluorene]-2'-carbonitrile.
What is the SMILES notation for 4-tert-butyl-N-[4-[4-(4-tert-butyl-N-(4-tert-butylphenyl)anilino)phenyl]sulfonylphenyl]-N-(4-tert-butylphenyl)aniline;3-carbazol-9-yl-9-[4-(3-carbazol-9-ylcarbazol-9-yl)-6-phenyl-1,3,5-triazin-2-yl]carbazole;4,5-di(carbazol-9-yl)benzene-1,2-dicarbonitrile;7'-isocyano-10-phenylspiro[acridine-9,9'-fluorene]-2'-carbonitrile?
The canonical SMILES for 4-tert-butyl-N-[4-[4-(4-tert-butyl-N-(4-tert-butylphenyl)anilino)phenyl]sulfonylphenyl]-N-(4-tert-butylphenyl)aniline;3-carbazol-9-yl-9-[4-(3-carbazol-9-ylcarbazol-9-yl)-6-phenyl-1,3,5-triazin-2-yl]carbazole;4,5-di(carbazol-9-yl)benzene-1,2-dicarbonitrile;7'-isocyano-10-phenylspiro[acridine-9,9'-fluorene]-2'-carbonitrile is CC(C)(C)c1ccc(N(c2ccc(C(C)(C)C)cc2)c2ccc(S(=O)(=O)c3ccc(N(c4ccc(C(C)(C)C)cc4)c4ccc(C(C)(C)C)cc4)cc3)cc2)cc1.N#Cc1cc(-n2c3ccccc3c3ccccc32)c(-n2c3ccccc3c3ccccc32)cc1C#N.[C-]#[N+]c1ccc2c(c1)C1(c3cc(C#N)ccc3-2)c2ccccc2N(c2ccccc2)c2ccccc21.c1ccc(-c2nc(-n3c4ccccc4c4cc(-n5c6ccccc6c6ccccc65)ccc43)nc(-n3c4ccccc4c4cc(-n5c6ccccc6c6ccccc65)ccc43)n2)cc1.
What is the InChIKey of 4-tert-butyl-N-[4-[4-(4-tert-butyl-N-(4-tert-butylphenyl)anilino)phenyl]sulfonylphenyl]-N-(4-tert-butylphenyl)aniline;3-carbazol-9-yl-9-[4-(3-carbazol-9-ylcarbazol-9-yl)-6-phenyl-1,3,5-triazin-2-yl]carbazole;4,5-di(carbazol-9-yl)benzene-1,2-dicarbonitrile;7'-isocyano-10-phenylspiro[acridine-9,9'-fluorene]-2'-carbonitrile?
The InChIKey is NFQQIOPLRKXVBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H35N7.C52H60N2O2S.C33H19N3.C32H18N4/c1-2-16-36(17-3-1)55-58-56(63-51-28-14-8-22-43(51)45-34-37(30-32-53(45)63)61-47-24-10-4-18-39(47)40-19-5-11-25-48(40)61)60-57(59-55)64-52-29-15-9-23-44(52)46-35-38(31-33-54(46)64)62-49-26-12-6-20-41(49)42-21-7-13-27-50(42)62;1-49(2,3)37-13-21-41(22-14-37)53(42-23-15-38(16-24-42)50(4,5)6)45-29-33-47(34-30-45)57(55,56)48-35-31-46(32-36-48)54(43-25-17-39(18-26-43)51(7,8)9)44-27-19-40(20-28-44)52(10,11)12;1-35-23-16-18-26-25-17-15-22(21-34)19-29(25)33(30(26)20-23)27-11-5-7-13-31(27)36(24-9-3-2-4-10-24)32-14-8-6-12-28(32)33;33-19-21-17-31(35-27-13-5-1-9-23(27)24-10-2-6-14-28(24)35)32(18-22(21)20-34)36-29-15-7-3-11-25(29)26-12-4-8-16-30(26)36/h1-35H;13-36H,1-12H3;2-20H;1-18H.
What are the key properties of 4-tert-butyl-N-[4-[4-(4-tert-butyl-N-(4-tert-butylphenyl)anilino)phenyl]sulfonylphenyl]-N-(4-tert-butylphenyl)aniline;3-carbazol-9-yl-9-[4-(3-carbazol-9-ylcarbazol-9-yl)-6-phenyl-1,3,5-triazin-2-yl]carbazole;4,5-di(carbazol-9-yl)benzene-1,2-dicarbonitrile;7'-isocyano-10-phenylspiro[acridine-9,9'-fluorene]-2'-carbonitrile?
4-tert-butyl-N-[4-[4-(4-tert-butyl-N-(4-tert-butylphenyl)anilino)phenyl]sulfonylphenyl]-N-(4-tert-butylphenyl)aniline;3-carbazol-9-yl-9-[4-(3-carbazol-9-ylcarbazol-9-yl)-6-phenyl-1,3,5-triazin-2-yl]carbazole;4,5-di(carbazol-9-yl)benzene-1,2-dicarbonitrile;7'-isocyano-10-phenylspiro[acridine-9,9'-fluorene]-2'-carbonitrile has a molecular weight of 2511.15 g/mol, XLogP of 44.46, 16 rotatable bonds, 0 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-N-[4-[4-(4-tert-butyl-N-(4-tert-butylphenyl)anilino)phenyl]sulfonylphenyl]-N-(4-tert-butylphenyl)aniline;3-carbazol-9-yl-9-[4-(3-carbazol-9-ylcarbazol-9-yl)-6-phenyl-1,3,5-triazin-2-yl]carbazole;4,5-di(carbazol-9-yl)benzene-1,2-dicarbonitrile;7'-isocyano-10-phenylspiro[acridine-9,9'-fluorene]-2'-carbonitrile is sourced from PubChem (CID 159767214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).