1-N-(4-methylphenyl)-4-N-[4-[4-(N-[4-(N-(4-methylphenyl)anilino)phenyl]anilino)phenyl]phenyl]-1-N,4-N-diphenylbenzene-1,4-diamine;tetranonaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39,41,43,45,47,49,51,53,55,57,59,61,63,65,67,69,71,73,75,77,79,81,83,85,87,89,91,93-heptatetracontayne

C156H52N4 — CID 161319655

IUPAC1-N-(4-methylphenyl)-4-N-[4-[4-(N-[4-(N-(4-methylphenyl)anilino)phenyl]anilino)phenyl]phenyl]-1-N,4-N-diphenylbenzene-1,4-diamine;tetranonaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39,41,43,45,47,49,51,53,55,57,59,61,63,65,67,69,71,73,75,77,79,81,83,85,87,89,91,93-heptatetracontayne
SMILESC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#C.Cc1ccc(N(c2ccccc2)c2ccc(N(c3ccccc3)c3ccc(-c4ccc(N(c5ccccc5)c5ccc(N(c6ccccc6)c6ccc(C)cc6)cc5)cc4)cc3)cc2)cc1
InChIInChI=1S/C94H2.C62H50N4/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-43-45-47-49-51-53-55-57-59-61-63-65-67-69-71-73-75-77-79-81-83-85-87-89-91-93-94-92-90-88-86-84-82-80-78-76-74-72-70-68-66-64-62-60-58-56-54-52-50-48-46-44-42-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2;1-47-23-31-55(32-24-47)63(51-15-7-3-8-16-51)59-39-43-61(44-40-59)65(53-19-11-5-12-20-53)57-35-27-49(28-36-57)50-29-37-58(38-30-50)66(54-21-13-6-14-22-54)62-45-41-60(42-46-62)64(52-17-9-4-10-18-52)56-33-25-48(2)26-34-56/h1-2H;3-46H,1-2H3
InChIKeyVJYWJOAXVBCDBS-UHFFFAOYSA-N
MW1982.16 g/mol
LogP18.26
Rot. Bonds13

About 1-N-(4-methylphenyl)-4-N-[4-[4-(N-[4-(N-(4-methylphenyl)anilino)phenyl]anilino)phenyl]phenyl]-1-N,4-N-diphenylbenzene-1,4-diamine;tetranonaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39,41,43,45,47,49,51,53,55,57,59,61,63,65,67,69,71,73,75,77,79,81,83,85,87,89,91,93-heptatetracontayne

1-N-(4-methylphenyl)-4-N-[4-[4-(N-[4-(N-(4-methylphenyl)anilino)phenyl]anilino)phenyl]phenyl]-1-N,4-N-diphenylbenzene-1,4-diamine;tetranonaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39,41,43,45,47,49,51,53,55,57,59,61,63,65,67,69,71,73,75,77,79,81,83,85,87,89,91,93-heptatetracontayne (PubChem CID 161319655) has the molecular formula C156H52N4 and a molecular weight of 1982.16 g/mol. Its IUPAC name is 1-N-(4-methylphenyl)-4-N-[4-[4-(N-[4-(N-(4-methylphenyl)anilino)phenyl]anilino)phenyl]phenyl]-1-N,4-N-diphenylbenzene-1,4-diamine;tetranonaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39,41,43,45,47,49,51,53,55,57,59,61,63,65,67,69,71,73,75,77,79,81,83,85,87,89,91,93-heptatetracontayne.

Molecular Properties

Compound Name1-N-(4-methylphenyl)-4-N-[4-[4-(N-[4-(N-(4-methylphenyl)anilino)phenyl]anilino)phenyl]phenyl]-1-N,4-N-diphenylbenzene-1,4-diamine;tetranonaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39,41,43,45,47,49,51,53,55,57,59,61,63,65,67,69,71,73,75,77,79,81,83,85,87,89,91,93-heptatetracontayne
PubChem CID161319655
Molecular FormulaC156H52N4
Molecular Weight1982.16 g/mol
Exact Mass1980.42
IUPAC Name1-N-(4-methylphenyl)-4-N-[4-[4-(N-[4-(N-(4-methylphenyl)anilino)phenyl]anilino)phenyl]phenyl]-1-N,4-N-diphenylbenzene-1,4-diamine;tetranonaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39,41,43,45,47,49,51,53,55,57,59,61,63,65,67,69,71,73,75,77,79,81,83,85,87,89,91,93-heptatetracontayne
SMILESC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#C.Cc1ccc(N(c2ccccc2)c2ccc(N(c3ccccc3)c3ccc(-c4ccc(N(c5ccccc5)c5ccc(N(c6ccccc6)c6ccc(C)cc6)cc5)cc4)cc3)cc2)cc1
InChIInChI=1S/C94H2.C62H50N4/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-43-45-47-49-51-53-55-57-59-61-63-65-67-69-71-73-75-77-79-81-83-85-87-89-91-93-94-92-90-88-86-84-82-80-78-76-74-72-70-68-66-64-62-60-58-56-54-52-50-48-46-44-42-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2;1-47-23-31-55(32-24-47)63(51-15-7-3-8-16-51)59-39-43-61(44-40-59)65(53-19-11-5-12-20-53)57-35-27-49(28-36-57)50-29-37-58(38-30-50)66(54-21-13-6-14-22-54)62-45-41-60(42-46-62)64(52-17-9-4-10-18-52)56-33-25-48(2)26-34-56/h1-2H;3-46H,1-2H3
InChIKeyVJYWJOAXVBCDBS-UHFFFAOYSA-N
XLogP18.26
TPSA12.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms160
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001982.16
LogP ≤ 518.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1-N-(4-methylphenyl)-4-N-[4-[4-(N-[4-(N-(4-methylphenyl)anilino)phenyl]anilino)phenyl]phenyl]-1-N,4-N-diphenylbenzene-1,4-diamine;tetranonaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39,41,43,45,47,49,51,53,55,57,59,61,63,65,67,69,71,73,75,77,79,81,83,85,87,89,91,93-heptatetracontayne with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-N-(4-methylphenyl)-4-N-[4-[4-(N-[4-(N-(4-methylphenyl)anilino)phenyl]anilino)phenyl]phenyl]-1-N,4-N-diphenylbenzene-1,4-diamine;tetranonaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39,41,43,45,47,49,51,53,55,57,59,61,63,65,67,69,71,73,75,77,79,81,83,85,87,89,91,93-heptatetracontayne?
The IUPAC name of 1-N-(4-methylphenyl)-4-N-[4-[4-(N-[4-(N-(4-methylphenyl)anilino)phenyl]anilino)phenyl]phenyl]-1-N,4-N-diphenylbenzene-1,4-diamine;tetranonaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39,41,43,45,47,49,51,53,55,57,59,61,63,65,67,69,71,73,75,77,79,81,83,85,87,89,91,93-heptatetracontayne (CID 161319655) is 1-N-(4-methylphenyl)-4-N-[4-[4-(N-[4-(N-(4-methylphenyl)anilino)phenyl]anilino)phenyl]phenyl]-1-N,4-N-diphenylbenzene-1,4-diamine;tetranonaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39,41,43,45,47,49,51,53,55,57,59,61,63,65,67,69,71,73,75,77,79,81,83,85,87,89,91,93-heptatetracontayne.
What is the SMILES notation for 1-N-(4-methylphenyl)-4-N-[4-[4-(N-[4-(N-(4-methylphenyl)anilino)phenyl]anilino)phenyl]phenyl]-1-N,4-N-diphenylbenzene-1,4-diamine;tetranonaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39,41,43,45,47,49,51,53,55,57,59,61,63,65,67,69,71,73,75,77,79,81,83,85,87,89,91,93-heptatetracontayne?
The canonical SMILES for 1-N-(4-methylphenyl)-4-N-[4-[4-(N-[4-(N-(4-methylphenyl)anilino)phenyl]anilino)phenyl]phenyl]-1-N,4-N-diphenylbenzene-1,4-diamine;tetranonaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39,41,43,45,47,49,51,53,55,57,59,61,63,65,67,69,71,73,75,77,79,81,83,85,87,89,91,93-heptatetracontayne is C#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#C.Cc1ccc(N(c2ccccc2)c2ccc(N(c3ccccc3)c3ccc(-c4ccc(N(c5ccccc5)c5ccc(N(c6ccccc6)c6ccc(C)cc6)cc5)cc4)cc3)cc2)cc1.
What is the InChIKey of 1-N-(4-methylphenyl)-4-N-[4-[4-(N-[4-(N-(4-methylphenyl)anilino)phenyl]anilino)phenyl]phenyl]-1-N,4-N-diphenylbenzene-1,4-diamine;tetranonaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39,41,43,45,47,49,51,53,55,57,59,61,63,65,67,69,71,73,75,77,79,81,83,85,87,89,91,93-heptatetracontayne?
The InChIKey is VJYWJOAXVBCDBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C94H2.C62H50N4/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-43-45-47-49-51-53-55-57-59-61-63-65-67-69-71-73-75-77-79-81-83-85-87-89-91-93-94-92-90-88-86-84-82-80-78-76-74-72-70-68-66-64-62-60-58-56-54-52-50-48-46-44-42-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2;1-47-23-31-55(32-24-47)63(51-15-7-3-8-16-51)59-39-43-61(44-40-59)65(53-19-11-5-12-20-53)57-35-27-49(28-36-57)50-29-37-58(38-30-50)66(54-21-13-6-14-22-54)62-45-41-60(42-46-62)64(52-17-9-4-10-18-52)56-33-25-48(2)26-34-56/h1-2H;3-46H,1-2H3.
What are the key properties of 1-N-(4-methylphenyl)-4-N-[4-[4-(N-[4-(N-(4-methylphenyl)anilino)phenyl]anilino)phenyl]phenyl]-1-N,4-N-diphenylbenzene-1,4-diamine;tetranonaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39,41,43,45,47,49,51,53,55,57,59,61,63,65,67,69,71,73,75,77,79,81,83,85,87,89,91,93-heptatetracontayne?
1-N-(4-methylphenyl)-4-N-[4-[4-(N-[4-(N-(4-methylphenyl)anilino)phenyl]anilino)phenyl]phenyl]-1-N,4-N-diphenylbenzene-1,4-diamine;tetranonaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39,41,43,45,47,49,51,53,55,57,59,61,63,65,67,69,71,73,75,77,79,81,83,85,87,89,91,93-heptatetracontayne has a molecular weight of 1982.16 g/mol, XLogP of 18.26, 13 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(4-methylphenyl)-4-N-[4-[4-(N-[4-(N-(4-methylphenyl)anilino)phenyl]anilino)phenyl]phenyl]-1-N,4-N-diphenylbenzene-1,4-diamine;tetranonaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39,41,43,45,47,49,51,53,55,57,59,61,63,65,67,69,71,73,75,77,79,81,83,85,87,89,91,93-heptatetracontayne is sourced from PubChem (CID 161319655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).