4-N-[4-[4-(4-amino-N-(4-aminophenyl)anilino)-N-[4-[4-(4-amino-N-(4-aminophenyl)anilino)-N-[4-(4-amino-N-(4-aminophenyl)anilino)phenyl]anilino]phenyl]anilino]phenyl]-4-N-(4-aminophenyl)benzene-1,4-diamine

C78H68N14 — CID 163509117

IUPAC4-N-[4-[4-(4-amino-N-(4-aminophenyl)anilino)-N-[4-[4-(4-amino-N-(4-aminophenyl)anilino)-N-[4-(4-amino-N-(4-aminophenyl)anilino)phenyl]anilino]phenyl]anilino]phenyl]-4-N-(4-aminophenyl)benzene-1,4-diamine
SMILESNc1ccc(N(c2ccc(N)cc2)c2ccc(N(c3ccc(N(c4ccc(N)cc4)c4ccc(N)cc4)cc3)c3ccc(N(c4ccc(N(c5ccc(N)cc5)c5ccc(N)cc5)cc4)c4ccc(N(c5ccc(N)cc5)c5ccc(N)cc5)cc4)cc3)cc2)cc1
InChIInChI=1S/C78H68N14/c79-53-1-17-61(18-2-53)87(62-19-3-54(80)4-20-62)69-33-41-73(42-34-69)91(74-43-35-70(36-44-74)88(63-21-5-55(81)6-22-63)64-23-7-56(82)8-24-64)77-49-51-78(52-50-77)92(75-45-37-71(38-46-75)89(65-25-9-57(83)10-26-65)66-27-11-58(84)12-28-66)76-47-39-72(40-48-76)90(67-29-13-59(85)14-30-67)68-31-15-60(86)16-32-68/h1-52H,79-86H2
InChIKeyDBDMFUMUJDTLNB-UHFFFAOYSA-N
MW1201.50 g/mol
LogP19.16
Rot. Bonds18

About 4-N-[4-[4-(4-amino-N-(4-aminophenyl)anilino)-N-[4-[4-(4-amino-N-(4-aminophenyl)anilino)-N-[4-(4-amino-N-(4-aminophenyl)anilino)phenyl]anilino]phenyl]anilino]phenyl]-4-N-(4-aminophenyl)benzene-1,4-diamine

4-N-[4-[4-(4-amino-N-(4-aminophenyl)anilino)-N-[4-[4-(4-amino-N-(4-aminophenyl)anilino)-N-[4-(4-amino-N-(4-aminophenyl)anilino)phenyl]anilino]phenyl]anilino]phenyl]-4-N-(4-aminophenyl)benzene-1,4-diamine (PubChem CID 163509117) has the molecular formula C78H68N14 and a molecular weight of 1201.50 g/mol. Its IUPAC name is 4-N-[4-[4-(4-amino-N-(4-aminophenyl)anilino)-N-[4-[4-(4-amino-N-(4-aminophenyl)anilino)-N-[4-(4-amino-N-(4-aminophenyl)anilino)phenyl]anilino]phenyl]anilino]phenyl]-4-N-(4-aminophenyl)benzene-1,4-diamine.

Molecular Properties

Compound Name4-N-[4-[4-(4-amino-N-(4-aminophenyl)anilino)-N-[4-[4-(4-amino-N-(4-aminophenyl)anilino)-N-[4-(4-amino-N-(4-aminophenyl)anilino)phenyl]anilino]phenyl]anilino]phenyl]-4-N-(4-aminophenyl)benzene-1,4-diamine
PubChem CID163509117
Molecular FormulaC78H68N14
Molecular Weight1201.50 g/mol
Exact Mass1200.58
IUPAC Name4-N-[4-[4-(4-amino-N-(4-aminophenyl)anilino)-N-[4-[4-(4-amino-N-(4-aminophenyl)anilino)-N-[4-(4-amino-N-(4-aminophenyl)anilino)phenyl]anilino]phenyl]anilino]phenyl]-4-N-(4-aminophenyl)benzene-1,4-diamine
SMILESNc1ccc(N(c2ccc(N)cc2)c2ccc(N(c3ccc(N(c4ccc(N)cc4)c4ccc(N)cc4)cc3)c3ccc(N(c4ccc(N(c5ccc(N)cc5)c5ccc(N)cc5)cc4)c4ccc(N(c5ccc(N)cc5)c5ccc(N)cc5)cc4)cc3)cc2)cc1
InChIInChI=1S/C78H68N14/c79-53-1-17-61(18-2-53)87(62-19-3-54(80)4-20-62)69-33-41-73(42-34-69)91(74-43-35-70(36-44-74)88(63-21-5-55(81)6-22-63)64-23-7-56(82)8-24-64)77-49-51-78(52-50-77)92(75-45-37-71(38-46-75)89(65-25-9-57(83)10-26-65)66-27-11-58(84)12-28-66)76-47-39-72(40-48-76)90(67-29-13-59(85)14-30-67)68-31-15-60(86)16-32-68/h1-52H,79-86H2
InChIKeyDBDMFUMUJDTLNB-UHFFFAOYSA-N
XLogP19.16
TPSA227.60 Ų
H-Bond Donors8
H-Bond Acceptors14
Rotatable Bonds18
Heavy Atoms92
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001201.50
LogP ≤ 519.16
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1014

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_K(2)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 4-N-[4-[4-(4-amino-N-(4-aminophenyl)anilino)-N-[4-[4-(4-amino-N-(4-aminophenyl)anilino)-N-[4-(4-amino-N-(4-aminophenyl)anilino)phenyl]anilino]phenyl]anilino]phenyl]-4-N-(4-aminophenyl)benzene-1,4-diamine with MolForge

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Related Compounds

benzene-1,4-diamine;4-N,4-N-diphenylbenzene-1,4-diamine
CID 67959062
4-N,4-N-bis(4-methylphenyl)benzene-1,4-diamine;bis(4-methylaniline)
CID 142830870
4-N-phenyl-4-N-[4-[4-(N-phenylanilino)phenyl]phenyl]benzene-1,4-diamine
CID 18421146
4-[4-(N-[4-(4-aminophenyl)phenyl]-4-phenylanilino)phenyl]aniline
CID 139760283
4-[4-(N-[4-[4-(N-[4-(4-aminophenyl)phenyl]anilino)phenyl]phenyl]anilino)phenyl]aniline
CID 22944349
4-N-(4-aminophenyl)-4-N-(3,5-dimethylphenyl)benzene-1,4-diamine
CID 132519467
4-N,4-N-bis(4-methoxyphenyl)benzene-1,4-diamine;ethane
CID 145450258
4-(4-aminophenyl)aniline;N,N-diphenylaniline
CID 67789837
4-N-[4-(4-amino-N-(4-phenoxyphenyl)anilino)phenyl]-4-N-(4-phenoxyphenyl)benzene-1,4-diamine
CID 89202314
N-[4-(4-aminophenyl)phenyl]-4-propyl-N-(4-propylphenyl)aniline
CID 67658783
4-N-[4-(4-amino-N-(4-aminophenyl)anilino)phenyl]-4-N-(4-amino-3-methoxyphenyl)-2-methoxybenzene-1,4-diamine
CID 89352450
4-N-(4-aminophenyl)-4-N-[4-[4-[4-(N-phenylanilino)phenyl]piperazin-1-yl]phenyl]benzene-1,4-diamine
CID 178074679

Frequently Asked Questions

What is the IUPAC name of 4-N-[4-[4-(4-amino-N-(4-aminophenyl)anilino)-N-[4-[4-(4-amino-N-(4-aminophenyl)anilino)-N-[4-(4-amino-N-(4-aminophenyl)anilino)phenyl]anilino]phenyl]anilino]phenyl]-4-N-(4-aminophenyl)benzene-1,4-diamine?
The IUPAC name of 4-N-[4-[4-(4-amino-N-(4-aminophenyl)anilino)-N-[4-[4-(4-amino-N-(4-aminophenyl)anilino)-N-[4-(4-amino-N-(4-aminophenyl)anilino)phenyl]anilino]phenyl]anilino]phenyl]-4-N-(4-aminophenyl)benzene-1,4-diamine (CID 163509117) is 4-N-[4-[4-(4-amino-N-(4-aminophenyl)anilino)-N-[4-[4-(4-amino-N-(4-aminophenyl)anilino)-N-[4-(4-amino-N-(4-aminophenyl)anilino)phenyl]anilino]phenyl]anilino]phenyl]-4-N-(4-aminophenyl)benzene-1,4-diamine.
What is the SMILES notation for 4-N-[4-[4-(4-amino-N-(4-aminophenyl)anilino)-N-[4-[4-(4-amino-N-(4-aminophenyl)anilino)-N-[4-(4-amino-N-(4-aminophenyl)anilino)phenyl]anilino]phenyl]anilino]phenyl]-4-N-(4-aminophenyl)benzene-1,4-diamine?
The canonical SMILES for 4-N-[4-[4-(4-amino-N-(4-aminophenyl)anilino)-N-[4-[4-(4-amino-N-(4-aminophenyl)anilino)-N-[4-(4-amino-N-(4-aminophenyl)anilino)phenyl]anilino]phenyl]anilino]phenyl]-4-N-(4-aminophenyl)benzene-1,4-diamine is Nc1ccc(N(c2ccc(N)cc2)c2ccc(N(c3ccc(N(c4ccc(N)cc4)c4ccc(N)cc4)cc3)c3ccc(N(c4ccc(N(c5ccc(N)cc5)c5ccc(N)cc5)cc4)c4ccc(N(c5ccc(N)cc5)c5ccc(N)cc5)cc4)cc3)cc2)cc1.
What is the InChIKey of 4-N-[4-[4-(4-amino-N-(4-aminophenyl)anilino)-N-[4-[4-(4-amino-N-(4-aminophenyl)anilino)-N-[4-(4-amino-N-(4-aminophenyl)anilino)phenyl]anilino]phenyl]anilino]phenyl]-4-N-(4-aminophenyl)benzene-1,4-diamine?
The InChIKey is DBDMFUMUJDTLNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C78H68N14/c79-53-1-17-61(18-2-53)87(62-19-3-54(80)4-20-62)69-33-41-73(42-34-69)91(74-43-35-70(36-44-74)88(63-21-5-55(81)6-22-63)64-23-7-56(82)8-24-64)77-49-51-78(52-50-77)92(75-45-37-71(38-46-75)89(65-25-9-57(83)10-26-65)66-27-11-58(84)12-28-66)76-47-39-72(40-48-76)90(67-29-13-59(85)14-30-67)68-31-15-60(86)16-32-68/h1-52H,79-86H2.
What are the key properties of 4-N-[4-[4-(4-amino-N-(4-aminophenyl)anilino)-N-[4-[4-(4-amino-N-(4-aminophenyl)anilino)-N-[4-(4-amino-N-(4-aminophenyl)anilino)phenyl]anilino]phenyl]anilino]phenyl]-4-N-(4-aminophenyl)benzene-1,4-diamine?
4-N-[4-[4-(4-amino-N-(4-aminophenyl)anilino)-N-[4-[4-(4-amino-N-(4-aminophenyl)anilino)-N-[4-(4-amino-N-(4-aminophenyl)anilino)phenyl]anilino]phenyl]anilino]phenyl]-4-N-(4-aminophenyl)benzene-1,4-diamine has a molecular weight of 1201.50 g/mol, XLogP of 19.16, 18 rotatable bonds, 8 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[4-[4-(4-amino-N-(4-aminophenyl)anilino)-N-[4-[4-(4-amino-N-(4-aminophenyl)anilino)-N-[4-(4-amino-N-(4-aminophenyl)anilino)phenyl]anilino]phenyl]anilino]phenyl]-4-N-(4-aminophenyl)benzene-1,4-diamine is sourced from PubChem (CID 163509117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).