1-N,1-N-didecyl-4-N-[4-[4-(didecylamino)-N-[4-(didecylamino)-3-methylphenyl]-3-methylanilino]phenyl]-4-N-[4-(didecylamino)-3-methylphenyl]-2-methylbenzene-1,4-diamine;2-methyl-1-N,1-N,4-N,4-N-tetrakis[4-(N-phenylanilino)phenyl]benzene-1,4-diamine

C193H258N12 — CID 161180059

IUPAC1-N,1-N-didecyl-4-N-[4-[4-(didecylamino)-N-[4-(didecylamino)-3-methylphenyl]-3-methylanilino]phenyl]-4-N-[4-(didecylamino)-3-methylphenyl]-2-methylbenzene-1,4-diamine;2-methyl-1-N,1-N,4-N,4-N-tetrakis[4-(N-phenylanilino)phenyl]benzene-1,4-diamine
SMILESCCCCCCCCCCN(CCCCCCCCCC)c1ccc(N(c2ccc(N(c3ccc(N(CCCCCCCCCC)CCCCCCCCCC)c(C)c3)c3ccc(N(CCCCCCCCCC)CCCCCCCCCC)c(C)c3)cc2)c2ccc(N(CCCCCCCCCC)CCCCCCCCCC)c(C)c2)cc1C.Cc1cc(N(c2ccc(N(c3ccccc3)c3ccccc3)cc2)c2ccc(N(c3ccccc3)c3ccccc3)cc2)ccc1N(c1ccc(N(c2ccccc2)c2ccccc2)cc1)c1ccc(N(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C114H196N6.C79H62N6/c1-13-21-29-37-45-53-61-69-89-115(90-70-62-54-46-38-30-22-14-2)111-85-81-107(97-101(111)9)119(108-82-86-112(102(10)98-108)116(91-71-63-55-47-39-31-23-15-3)92-72-64-56-48-40-32-24-16-4)105-77-79-106(80-78-105)120(109-83-87-113(103(11)99-109)117(93-73-65-57-49-41-33-25-17-5)94-74-66-58-50-42-34-26-18-6)110-84-88-114(104(12)100-110)118(95-75-67-59-51-43-35-27-19-7)96-76-68-60-52-44-36-28-20-8;1-61-60-78(84(74-46-42-70(43-47-74)80(62-26-10-2-11-27-62)63-28-12-3-13-29-63)75-48-44-71(45-49-75)81(64-30-14-4-15-31-64)65-32-16-5-17-33-65)58-59-79(61)85(76-54-50-72(51-55-76)82(66-34-18-6-19-35-66)67-36-20-7-21-37-67)77-56-52-73(53-57-77)83(68-38-22-8-23-39-68)69-40-24-9-25-41-69/h77-88,97-100H,13-76,89-96H2,1-12H3;2-60H,1H3
InChIKeyUSIFGCSNKKGDIB-UHFFFAOYSA-N
MW2746.27 g/mol
LogP61.02
Rot. Bonds100

About 1-N,1-N-didecyl-4-N-[4-[4-(didecylamino)-N-[4-(didecylamino)-3-methylphenyl]-3-methylanilino]phenyl]-4-N-[4-(didecylamino)-3-methylphenyl]-2-methylbenzene-1,4-diamine;2-methyl-1-N,1-N,4-N,4-N-tetrakis[4-(N-phenylanilino)phenyl]benzene-1,4-diamine

1-N,1-N-didecyl-4-N-[4-[4-(didecylamino)-N-[4-(didecylamino)-3-methylphenyl]-3-methylanilino]phenyl]-4-N-[4-(didecylamino)-3-methylphenyl]-2-methylbenzene-1,4-diamine;2-methyl-1-N,1-N,4-N,4-N-tetrakis[4-(N-phenylanilino)phenyl]benzene-1,4-diamine (PubChem CID 161180059) has the molecular formula C193H258N12 and a molecular weight of 2746.27 g/mol. Its IUPAC name is 1-N,1-N-didecyl-4-N-[4-[4-(didecylamino)-N-[4-(didecylamino)-3-methylphenyl]-3-methylanilino]phenyl]-4-N-[4-(didecylamino)-3-methylphenyl]-2-methylbenzene-1,4-diamine;2-methyl-1-N,1-N,4-N,4-N-tetrakis[4-(N-phenylanilino)phenyl]benzene-1,4-diamine.

Molecular Properties

Compound Name1-N,1-N-didecyl-4-N-[4-[4-(didecylamino)-N-[4-(didecylamino)-3-methylphenyl]-3-methylanilino]phenyl]-4-N-[4-(didecylamino)-3-methylphenyl]-2-methylbenzene-1,4-diamine;2-methyl-1-N,1-N,4-N,4-N-tetrakis[4-(N-phenylanilino)phenyl]benzene-1,4-diamine
PubChem CID161180059
Molecular FormulaC193H258N12
Molecular Weight2746.27 g/mol
Exact Mass2744.06
IUPAC Name1-N,1-N-didecyl-4-N-[4-[4-(didecylamino)-N-[4-(didecylamino)-3-methylphenyl]-3-methylanilino]phenyl]-4-N-[4-(didecylamino)-3-methylphenyl]-2-methylbenzene-1,4-diamine;2-methyl-1-N,1-N,4-N,4-N-tetrakis[4-(N-phenylanilino)phenyl]benzene-1,4-diamine
SMILESCCCCCCCCCCN(CCCCCCCCCC)c1ccc(N(c2ccc(N(c3ccc(N(CCCCCCCCCC)CCCCCCCCCC)c(C)c3)c3ccc(N(CCCCCCCCCC)CCCCCCCCCC)c(C)c3)cc2)c2ccc(N(CCCCCCCCCC)CCCCCCCCCC)c(C)c2)cc1C.Cc1cc(N(c2ccc(N(c3ccccc3)c3ccccc3)cc2)c2ccc(N(c3ccccc3)c3ccccc3)cc2)ccc1N(c1ccc(N(c2ccccc2)c2ccccc2)cc1)c1ccc(N(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C114H196N6.C79H62N6/c1-13-21-29-37-45-53-61-69-89-115(90-70-62-54-46-38-30-22-14-2)111-85-81-107(97-101(111)9)119(108-82-86-112(102(10)98-108)116(91-71-63-55-47-39-31-23-15-3)92-72-64-56-48-40-32-24-16-4)105-77-79-106(80-78-105)120(109-83-87-113(103(11)99-109)117(93-73-65-57-49-41-33-25-17-5)94-74-66-58-50-42-34-26-18-6)110-84-88-114(104(12)100-110)118(95-75-67-59-51-43-35-27-19-7)96-76-68-60-52-44-36-28-20-8;1-61-60-78(84(74-46-42-70(43-47-74)80(62-26-10-2-11-27-62)63-28-12-3-13-29-63)75-48-44-71(45-49-75)81(64-30-14-4-15-31-64)65-32-16-5-17-33-65)58-59-79(61)85(76-54-50-72(51-55-76)82(66-34-18-6-19-35-66)67-36-20-7-21-37-67)77-56-52-73(53-57-77)83(68-38-22-8-23-39-68)69-40-24-9-25-41-69/h77-88,97-100H,13-76,89-96H2,1-12H3;2-60H,1H3
InChIKeyUSIFGCSNKKGDIB-UHFFFAOYSA-N
XLogP61.02
TPSA38.88 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds100
Heavy Atoms205
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002746.27
LogP ≤ 561.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 1-N,1-N-didecyl-4-N-[4-[4-(didecylamino)-N-[4-(didecylamino)-3-methylphenyl]-3-methylanilino]phenyl]-4-N-[4-(didecylamino)-3-methylphenyl]-2-methylbenzene-1,4-diamine;2-methyl-1-N,1-N,4-N,4-N-tetrakis[4-(N-phenylanilino)phenyl]benzene-1,4-diamine with MolForge

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Related Compounds

2-methyl-4-N-naphthalen-2-yl-1-N,1-N-bis[4-(N-naphthalen-2-ylanilino)phenyl]-4-N-phenylbenzene-1,4-diamine
CID 91550926
2-chloro-4-N-[4-(3-chloro-N-(3-chloro-4-methylphenyl)-4-methylanilino)phenyl]-4-N-[3-chloro-4-(dioctylamino)phenyl]-1-N,1-N-dioctylbenzene-1,4-diamine
CID 88901794
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CID 154378615
4-N-[4-[4-(dihexylamino)-N-[4-(dihexylamino)-3-methoxyphenyl]-3-methoxyanilino]phenyl]-4-N-[4-(dihexylamino)-3-methoxyphenyl]-1-N,1-N-dihexyl-2-methoxybenzene-1,4-diamine
CID 58862545
3-N-(2,4-dimethylphenyl)-1-N,1-N,3-N-triphenylbenzene-1,3-diamine
CID 54226446
4-methyl-1-N,3-N-diphenyl-1-N,3-N-bis[4-(N-phenylanilino)phenyl]benzene-1,3-diamine
CID 158926819
N-(fluoromethyl)-N-hexylaniline
CID 22637345
1-N,1-N,4-N,4-N-tetraoctylbenzene-1,4-diamine
CID 71367267
1-N,4-N,4-N-tri(dibenzofuran-3-yl)-2-methyl-1-N-phenylbenzene-1,4-diamine
CID 134471596
[4-(N-(2,4-dimethylphenyl)anilino)-2-methylphenyl]methanol
CID 20580195
4-N-dibenzofuran-3-yl-2-methyl-1-N,1-N,4-N-triphenylbenzene-1,4-diamine
CID 134471591

Frequently Asked Questions

What is the IUPAC name of 1-N,1-N-didecyl-4-N-[4-[4-(didecylamino)-N-[4-(didecylamino)-3-methylphenyl]-3-methylanilino]phenyl]-4-N-[4-(didecylamino)-3-methylphenyl]-2-methylbenzene-1,4-diamine;2-methyl-1-N,1-N,4-N,4-N-tetrakis[4-(N-phenylanilino)phenyl]benzene-1,4-diamine?
The IUPAC name of 1-N,1-N-didecyl-4-N-[4-[4-(didecylamino)-N-[4-(didecylamino)-3-methylphenyl]-3-methylanilino]phenyl]-4-N-[4-(didecylamino)-3-methylphenyl]-2-methylbenzene-1,4-diamine;2-methyl-1-N,1-N,4-N,4-N-tetrakis[4-(N-phenylanilino)phenyl]benzene-1,4-diamine (CID 161180059) is 1-N,1-N-didecyl-4-N-[4-[4-(didecylamino)-N-[4-(didecylamino)-3-methylphenyl]-3-methylanilino]phenyl]-4-N-[4-(didecylamino)-3-methylphenyl]-2-methylbenzene-1,4-diamine;2-methyl-1-N,1-N,4-N,4-N-tetrakis[4-(N-phenylanilino)phenyl]benzene-1,4-diamine.
What is the SMILES notation for 1-N,1-N-didecyl-4-N-[4-[4-(didecylamino)-N-[4-(didecylamino)-3-methylphenyl]-3-methylanilino]phenyl]-4-N-[4-(didecylamino)-3-methylphenyl]-2-methylbenzene-1,4-diamine;2-methyl-1-N,1-N,4-N,4-N-tetrakis[4-(N-phenylanilino)phenyl]benzene-1,4-diamine?
The canonical SMILES for 1-N,1-N-didecyl-4-N-[4-[4-(didecylamino)-N-[4-(didecylamino)-3-methylphenyl]-3-methylanilino]phenyl]-4-N-[4-(didecylamino)-3-methylphenyl]-2-methylbenzene-1,4-diamine;2-methyl-1-N,1-N,4-N,4-N-tetrakis[4-(N-phenylanilino)phenyl]benzene-1,4-diamine is CCCCCCCCCCN(CCCCCCCCCC)c1ccc(N(c2ccc(N(c3ccc(N(CCCCCCCCCC)CCCCCCCCCC)c(C)c3)c3ccc(N(CCCCCCCCCC)CCCCCCCCCC)c(C)c3)cc2)c2ccc(N(CCCCCCCCCC)CCCCCCCCCC)c(C)c2)cc1C.Cc1cc(N(c2ccc(N(c3ccccc3)c3ccccc3)cc2)c2ccc(N(c3ccccc3)c3ccccc3)cc2)ccc1N(c1ccc(N(c2ccccc2)c2ccccc2)cc1)c1ccc(N(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of 1-N,1-N-didecyl-4-N-[4-[4-(didecylamino)-N-[4-(didecylamino)-3-methylphenyl]-3-methylanilino]phenyl]-4-N-[4-(didecylamino)-3-methylphenyl]-2-methylbenzene-1,4-diamine;2-methyl-1-N,1-N,4-N,4-N-tetrakis[4-(N-phenylanilino)phenyl]benzene-1,4-diamine?
The InChIKey is USIFGCSNKKGDIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C114H196N6.C79H62N6/c1-13-21-29-37-45-53-61-69-89-115(90-70-62-54-46-38-30-22-14-2)111-85-81-107(97-101(111)9)119(108-82-86-112(102(10)98-108)116(91-71-63-55-47-39-31-23-15-3)92-72-64-56-48-40-32-24-16-4)105-77-79-106(80-78-105)120(109-83-87-113(103(11)99-109)117(93-73-65-57-49-41-33-25-17-5)94-74-66-58-50-42-34-26-18-6)110-84-88-114(104(12)100-110)118(95-75-67-59-51-43-35-27-19-7)96-76-68-60-52-44-36-28-20-8;1-61-60-78(84(74-46-42-70(43-47-74)80(62-26-10-2-11-27-62)63-28-12-3-13-29-63)75-48-44-71(45-49-75)81(64-30-14-4-15-31-64)65-32-16-5-17-33-65)58-59-79(61)85(76-54-50-72(51-55-76)82(66-34-18-6-19-35-66)67-36-20-7-21-37-67)77-56-52-73(53-57-77)83(68-38-22-8-23-39-68)69-40-24-9-25-41-69/h77-88,97-100H,13-76,89-96H2,1-12H3;2-60H,1H3.
What are the key properties of 1-N,1-N-didecyl-4-N-[4-[4-(didecylamino)-N-[4-(didecylamino)-3-methylphenyl]-3-methylanilino]phenyl]-4-N-[4-(didecylamino)-3-methylphenyl]-2-methylbenzene-1,4-diamine;2-methyl-1-N,1-N,4-N,4-N-tetrakis[4-(N-phenylanilino)phenyl]benzene-1,4-diamine?
1-N,1-N-didecyl-4-N-[4-[4-(didecylamino)-N-[4-(didecylamino)-3-methylphenyl]-3-methylanilino]phenyl]-4-N-[4-(didecylamino)-3-methylphenyl]-2-methylbenzene-1,4-diamine;2-methyl-1-N,1-N,4-N,4-N-tetrakis[4-(N-phenylanilino)phenyl]benzene-1,4-diamine has a molecular weight of 2746.27 g/mol, XLogP of 61.02, 100 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,1-N-didecyl-4-N-[4-[4-(didecylamino)-N-[4-(didecylamino)-3-methylphenyl]-3-methylanilino]phenyl]-4-N-[4-(didecylamino)-3-methylphenyl]-2-methylbenzene-1,4-diamine;2-methyl-1-N,1-N,4-N,4-N-tetrakis[4-(N-phenylanilino)phenyl]benzene-1,4-diamine is sourced from PubChem (CID 161180059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).