ethane;3-methylperylene;4-methyl-N-phenyl-N-(4-phenylphenyl)aniline

C48H41N — CID 143269201

IUPACethane;3-methylperylene;4-methyl-N-phenyl-N-(4-phenylphenyl)aniline
SMILESCC.Cc1ccc(N(c2ccccc2)c2ccc(-c3ccccc3)cc2)cc1.Cc1ccc2c3cccc4cccc(c5cccc1c52)c43
InChIInChI=1S/C25H21N.C21H14.C2H6/c1-20-12-16-24(17-13-20)26(23-10-6-3-7-11-23)25-18-14-22(15-19-25)21-8-4-2-5-9-21;1-13-11-12-19-17-9-3-6-14-5-2-8-16(20(14)17)18-10-4-7-15(13)21(18)19;1-2/h2-19H,1H3;2-12H,1H3;1-2H3
InChIKeyGVAWTIGFAUUCJS-UHFFFAOYSA-N
MW631.86 g/mol
LogP14.20
Rot. Bonds4

About ethane;3-methylperylene;4-methyl-N-phenyl-N-(4-phenylphenyl)aniline

ethane;3-methylperylene;4-methyl-N-phenyl-N-(4-phenylphenyl)aniline (PubChem CID 143269201) has the molecular formula C48H41N and a molecular weight of 631.86 g/mol. Its IUPAC name is ethane;3-methylperylene;4-methyl-N-phenyl-N-(4-phenylphenyl)aniline.

Molecular Properties

Compound Nameethane;3-methylperylene;4-methyl-N-phenyl-N-(4-phenylphenyl)aniline
PubChem CID143269201
Molecular FormulaC48H41N
Molecular Weight631.86 g/mol
Exact Mass631.32
IUPAC Nameethane;3-methylperylene;4-methyl-N-phenyl-N-(4-phenylphenyl)aniline
SMILESCC.Cc1ccc(N(c2ccccc2)c2ccc(-c3ccccc3)cc2)cc1.Cc1ccc2c3cccc4cccc(c5cccc1c52)c43
InChIInChI=1S/C25H21N.C21H14.C2H6/c1-20-12-16-24(17-13-20)26(23-10-6-3-7-11-23)25-18-14-22(15-19-25)21-8-4-2-5-9-21;1-13-11-12-19-17-9-3-6-14-5-2-8-16(20(14)17)18-10-4-7-15(13)21(18)19;1-2/h2-19H,1H3;2-12H,1H3;1-2H3
InChIKeyGVAWTIGFAUUCJS-UHFFFAOYSA-N
XLogP14.20
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500631.86
LogP ≤ 514.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

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
methanamine;1-methyl-4-phenylbenzene;1-methylpyrene;propane
CID 143743290
4-N-[4-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]phenyl]-1-N,1-N,4-N-triphenylbenzene-1,4-diamine
CID 165386569
4-methyl-N-[4-[4-(4-methyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]-N-(4-phenylphenyl)aniline
CID 19604781
4-methyl-N-[4-[4-(N-[4-[4-(N-(4-methylphenyl)anilino)phenyl]phenyl]anilino)phenyl]phenyl]-N-phenylaniline
CID 22598588
1-N-[4-[4-(N-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]anilino)phenyl]phenyl]-4-N,4-N-bis(4-methylphenyl)-1-N-phenylbenzene-1,4-diamine
CID 21351107
4-N,4-N-bis(4-methylphenyl)-1-N-phenyl-1-N-[4-[4-(N-phenylanilino)phenyl]phenyl]benzene-1,4-diamine
CID 171844865
2-methyl-N-[4-(4-methylphenyl)phenyl]-N-phenylnaphthalen-1-amine
CID 166990192
ethane;N-(4-naphthalen-1-ylphenyl)-N,4-diphenylaniline
CID 143813904
ethane;tris(4-methyl-N,N-diphenylaniline)
CID 159159918
4-methyl-N-[4-[8-[4-(N-(4-methylphenyl)anilino)phenyl]naphthalen-1-yl]phenyl]-N-phenylaniline
CID 169016081
N-[4-(4-methylphenyl)phenyl]-N-naphthalen-1-ylnaphthalen-1-amine
CID 70891308

Frequently Asked Questions

What is the IUPAC name of ethane;3-methylperylene;4-methyl-N-phenyl-N-(4-phenylphenyl)aniline?
The IUPAC name of ethane;3-methylperylene;4-methyl-N-phenyl-N-(4-phenylphenyl)aniline (CID 143269201) is ethane;3-methylperylene;4-methyl-N-phenyl-N-(4-phenylphenyl)aniline.
What is the SMILES notation for ethane;3-methylperylene;4-methyl-N-phenyl-N-(4-phenylphenyl)aniline?
The canonical SMILES for ethane;3-methylperylene;4-methyl-N-phenyl-N-(4-phenylphenyl)aniline is CC.Cc1ccc(N(c2ccccc2)c2ccc(-c3ccccc3)cc2)cc1.Cc1ccc2c3cccc4cccc(c5cccc1c52)c43.
What is the InChIKey of ethane;3-methylperylene;4-methyl-N-phenyl-N-(4-phenylphenyl)aniline?
The InChIKey is GVAWTIGFAUUCJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21N.C21H14.C2H6/c1-20-12-16-24(17-13-20)26(23-10-6-3-7-11-23)25-18-14-22(15-19-25)21-8-4-2-5-9-21;1-13-11-12-19-17-9-3-6-14-5-2-8-16(20(14)17)18-10-4-7-15(13)21(18)19;1-2/h2-19H,1H3;2-12H,1H3;1-2H3.
What are the key properties of ethane;3-methylperylene;4-methyl-N-phenyl-N-(4-phenylphenyl)aniline?
ethane;3-methylperylene;4-methyl-N-phenyl-N-(4-phenylphenyl)aniline has a molecular weight of 631.86 g/mol, XLogP of 14.20, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;3-methylperylene;4-methyl-N-phenyl-N-(4-phenylphenyl)aniline is sourced from PubChem (CID 143269201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).