N-[4-(4-anilinophenyl)phenyl]-N-[4-[4-[N-methyl-4-[4-(N-phenylanilino)phenyl]anilino]phenyl]phenyl]naphthalen-1-amine;[(1Z)-buta-1,3-dienyl]benzene;ethane;toluene

C84H74N4 — CID 143500502

IUPACN-[4-(4-anilinophenyl)phenyl]-N-[4-[4-[N-methyl-4-[4-(N-phenylanilino)phenyl]anilino]phenyl]phenyl]naphthalen-1-amine;[(1Z)-buta-1,3-dienyl]benzene;ethane;toluene
SMILESC=C/C=C\c1ccccc1.CC.CN(c1ccc(-c2ccc(N(c3ccccc3)c3ccccc3)cc2)cc1)c1ccc(-c2ccc(N(c3ccc(-c4ccc(Nc5ccccc5)cc4)cc3)c3cccc4ccccc34)cc2)cc1.Cc1ccccc1
InChIInChI=1S/C65H50N4.C10H10.C7H8.C2H6/c1-67(57-38-26-49(27-39-57)52-30-42-61(43-31-52)68(59-18-7-3-8-19-59)60-20-9-4-10-21-60)58-40-28-50(29-41-58)53-34-46-63(47-35-53)69(65-23-13-15-54-14-11-12-22-64(54)65)62-44-32-51(33-45-62)48-24-36-56(37-25-48)66-55-16-5-2-6-17-55;1-2-3-7-10-8-5-4-6-9-10;1-7-5-3-2-4-6-7;1-2/h2-47,66H,1H3;2-9H,1H2;2-6H,1H3;1-2H3/b;7-3-;;
InChIKeyISTHPLOXZQBMJT-FDFAOGBNSA-N
MW1139.54 g/mol
LogP24.20
Rot. Bonds15

About N-[4-(4-anilinophenyl)phenyl]-N-[4-[4-[N-methyl-4-[4-(N-phenylanilino)phenyl]anilino]phenyl]phenyl]naphthalen-1-amine;[(1Z)-buta-1,3-dienyl]benzene;ethane;toluene

N-[4-(4-anilinophenyl)phenyl]-N-[4-[4-[N-methyl-4-[4-(N-phenylanilino)phenyl]anilino]phenyl]phenyl]naphthalen-1-amine;[(1Z)-buta-1,3-dienyl]benzene;ethane;toluene (PubChem CID 143500502) has the molecular formula C84H74N4 and a molecular weight of 1139.54 g/mol. Its IUPAC name is N-[4-(4-anilinophenyl)phenyl]-N-[4-[4-[N-methyl-4-[4-(N-phenylanilino)phenyl]anilino]phenyl]phenyl]naphthalen-1-amine;[(1Z)-buta-1,3-dienyl]benzene;ethane;toluene.

Molecular Properties

Compound NameN-[4-(4-anilinophenyl)phenyl]-N-[4-[4-[N-methyl-4-[4-(N-phenylanilino)phenyl]anilino]phenyl]phenyl]naphthalen-1-amine;[(1Z)-buta-1,3-dienyl]benzene;ethane;toluene
PubChem CID143500502
Molecular FormulaC84H74N4
Molecular Weight1139.54 g/mol
Exact Mass1138.59
IUPAC NameN-[4-(4-anilinophenyl)phenyl]-N-[4-[4-[N-methyl-4-[4-(N-phenylanilino)phenyl]anilino]phenyl]phenyl]naphthalen-1-amine;[(1Z)-buta-1,3-dienyl]benzene;ethane;toluene
SMILESC=C/C=C\c1ccccc1.CC.CN(c1ccc(-c2ccc(N(c3ccccc3)c3ccccc3)cc2)cc1)c1ccc(-c2ccc(N(c3ccc(-c4ccc(Nc5ccccc5)cc4)cc3)c3cccc4ccccc34)cc2)cc1.Cc1ccccc1
InChIInChI=1S/C65H50N4.C10H10.C7H8.C2H6/c1-67(57-38-26-49(27-39-57)52-30-42-61(43-31-52)68(59-18-7-3-8-19-59)60-20-9-4-10-21-60)58-40-28-50(29-41-58)53-34-46-63(47-35-53)69(65-23-13-15-54-14-11-12-22-64(54)65)62-44-32-51(33-45-62)48-24-36-56(37-25-48)66-55-16-5-2-6-17-55;1-2-3-7-10-8-5-4-6-9-10;1-7-5-3-2-4-6-7;1-2/h2-47,66H,1H3;2-9H,1H2;2-6H,1H3;1-2H3/b;7-3-;;
InChIKeyISTHPLOXZQBMJT-FDFAOGBNSA-N
XLogP24.20
TPSA21.75 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds15
Heavy Atoms88
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001139.54
LogP ≤ 524.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N,N-diphenyl-4-[2-[4-[2-[4-(N-phenylanilino)phenyl]ethenyl]phenyl]ethenyl]aniline;4-methyl-N-[4-[2-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]ethenyl]phenyl]-N-(4-methylphenyl)aniline;4-methyl-N-[4-[2-[4-[2-[4-(N-(4-methylphenyl)anilino)phenyl]ethenyl]phenyl]ethenyl]phenyl]-N-phenylaniline;N-[4-[4-[N-naphthalen-1-yl-4-(2-phenylethenyl)anilino]phenyl]phenyl]-N-[4-(2-phenylethenyl)phenyl]naphthalen-1-amine
CID 161488206
N-[4-[2-[4-(N-[3-[(1Z)-buta-1,3-dienyl]phenyl]-4-phenylanilino)phenyl]phenyl]phenyl]-N-(4-phenylphenyl)naphthalen-1-amine
CID 134321199
N-[4-[4-(N-methylanilino)phenyl]phenyl]-N-(4-phenylphenyl)naphthalen-1-amine
CID 59431752
1-N-methyl-1-N-(3-methylphenyl)-4-N-naphthalen-1-yl-4-N-(4-phenylphenyl)benzene-1,4-diamine
CID 59431746
N-(3-methylphenyl)-N-[4-[4-[2-[4-[4-(N-phenylanilino)phenyl]phenyl]ethenyl]phenyl]phenyl]naphthalen-1-amine
CID 91284836
N,N-diphenyl-4-[4-(N-phenylanilino)phenyl]aniline;4-methyl-N-[4-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]phenyl]-N-(4-methylphenyl)aniline;N-[4-[4-(N-naphthalen-1-ylanilino)phenyl]phenyl]-N-phenylnaphthalen-1-amine
CID 154945555
1-N-methyl-1-N-(4-methylphenyl)-4-N-naphthalen-1-yl-4-N-(3-phenylphenyl)benzene-1,4-diamine
CID 59431943
N-(3,5-dimethylphenyl)-N-[4-[4-[(E)-2-[4-[4-(N-phenylanilino)phenyl]phenyl]ethenyl]phenyl]phenyl]naphthalen-1-amine
CID 89067967
1-N-methyl-1-N-naphthalen-1-yl-4-N-phenyl-4-N-(4-phenylphenyl)benzene-1,4-diamine
CID 59431568
1-N-[4-[4-(N-[4-(3-methyl-N-(3-methylphenyl)anilino)phenyl]anilino)phenyl]phenyl]-4-N,4-N-bis(3-methylphenyl)-1-N-phenylbenzene-1,4-diamine;N-[4-[4-(N-naphthalen-1-ylanilino)phenyl]phenyl]-N-phenylnaphthalen-1-amine;1-N,1-N,4-N-triphenyl-4-N-[4-[4-(N-[4-(N-phenylanilino)phenyl]anilino)phenyl]phenyl]benzene-1,4-diamine
CID 158590649
N-naphthalen-1-yl-N-[4-[2-[4-[4-(N-phenylanilino)phenyl]phenyl]ethenyl]phenyl]naphthalen-1-amine
CID 59575121
N-[4-[4-(N-[4-[4-(N-naphthalen-1-ylanilino)phenyl]phenyl]-4-phenylanilino)phenyl]phenyl]-N-phenylnaphthalen-1-amine;4-phenyl-N-(4-phenylphenyl)-N-[4-[4-(N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]anilino)phenyl]phenyl]aniline
CID 161384258

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-anilinophenyl)phenyl]-N-[4-[4-[N-methyl-4-[4-(N-phenylanilino)phenyl]anilino]phenyl]phenyl]naphthalen-1-amine;[(1Z)-buta-1,3-dienyl]benzene;ethane;toluene?
The IUPAC name of N-[4-(4-anilinophenyl)phenyl]-N-[4-[4-[N-methyl-4-[4-(N-phenylanilino)phenyl]anilino]phenyl]phenyl]naphthalen-1-amine;[(1Z)-buta-1,3-dienyl]benzene;ethane;toluene (CID 143500502) is N-[4-(4-anilinophenyl)phenyl]-N-[4-[4-[N-methyl-4-[4-(N-phenylanilino)phenyl]anilino]phenyl]phenyl]naphthalen-1-amine;[(1Z)-buta-1,3-dienyl]benzene;ethane;toluene.
What is the SMILES notation for N-[4-(4-anilinophenyl)phenyl]-N-[4-[4-[N-methyl-4-[4-(N-phenylanilino)phenyl]anilino]phenyl]phenyl]naphthalen-1-amine;[(1Z)-buta-1,3-dienyl]benzene;ethane;toluene?
The canonical SMILES for N-[4-(4-anilinophenyl)phenyl]-N-[4-[4-[N-methyl-4-[4-(N-phenylanilino)phenyl]anilino]phenyl]phenyl]naphthalen-1-amine;[(1Z)-buta-1,3-dienyl]benzene;ethane;toluene is C=C/C=C\c1ccccc1.CC.CN(c1ccc(-c2ccc(N(c3ccccc3)c3ccccc3)cc2)cc1)c1ccc(-c2ccc(N(c3ccc(-c4ccc(Nc5ccccc5)cc4)cc3)c3cccc4ccccc34)cc2)cc1.Cc1ccccc1.
What is the InChIKey of N-[4-(4-anilinophenyl)phenyl]-N-[4-[4-[N-methyl-4-[4-(N-phenylanilino)phenyl]anilino]phenyl]phenyl]naphthalen-1-amine;[(1Z)-buta-1,3-dienyl]benzene;ethane;toluene?
The InChIKey is ISTHPLOXZQBMJT-FDFAOGBNSA-N. The full InChI is InChI=1S/C65H50N4.C10H10.C7H8.C2H6/c1-67(57-38-26-49(27-39-57)52-30-42-61(43-31-52)68(59-18-7-3-8-19-59)60-20-9-4-10-21-60)58-40-28-50(29-41-58)53-34-46-63(47-35-53)69(65-23-13-15-54-14-11-12-22-64(54)65)62-44-32-51(33-45-62)48-24-36-56(37-25-48)66-55-16-5-2-6-17-55;1-2-3-7-10-8-5-4-6-9-10;1-7-5-3-2-4-6-7;1-2/h2-47,66H,1H3;2-9H,1H2;2-6H,1H3;1-2H3/b;7-3-;;.
What are the key properties of N-[4-(4-anilinophenyl)phenyl]-N-[4-[4-[N-methyl-4-[4-(N-phenylanilino)phenyl]anilino]phenyl]phenyl]naphthalen-1-amine;[(1Z)-buta-1,3-dienyl]benzene;ethane;toluene?
N-[4-(4-anilinophenyl)phenyl]-N-[4-[4-[N-methyl-4-[4-(N-phenylanilino)phenyl]anilino]phenyl]phenyl]naphthalen-1-amine;[(1Z)-buta-1,3-dienyl]benzene;ethane;toluene has a molecular weight of 1139.54 g/mol, XLogP of 24.20, 15 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-anilinophenyl)phenyl]-N-[4-[4-[N-methyl-4-[4-(N-phenylanilino)phenyl]anilino]phenyl]phenyl]naphthalen-1-amine;[(1Z)-buta-1,3-dienyl]benzene;ethane;toluene is sourced from PubChem (CID 143500502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).