N,3-dimethyl-N-(3-methylphenyl)aniline;N-methyl-N,4-diphenylaniline;N-methyl-N-phenylaniline;N-methyl-4-phenyl-N-(4-phenylphenyl)aniline;1-methylpyrene;2-methylpyrene

C106H92N4 — CID 158173263

IUPACN,3-dimethyl-N-(3-methylphenyl)aniline;N-methyl-N,4-diphenylaniline;N-methyl-N-phenylaniline;N-methyl-4-phenyl-N-(4-phenylphenyl)aniline;1-methylpyrene;2-methylpyrene
SMILESCN(c1ccc(-c2ccccc2)cc1)c1ccc(-c2ccccc2)cc1.CN(c1ccccc1)c1ccc(-c2ccccc2)cc1.CN(c1ccccc1)c1ccccc1.Cc1cc2ccc3cccc4ccc(c1)c2c34.Cc1ccc2ccc3cccc4ccc1c2c34.Cc1cccc(N(C)c2cccc(C)c2)c1
InChIInChI=1S/C25H21N.C19H17N.2C17H12.C15H17N.C13H13N/c1-26(24-16-12-22(13-17-24)20-8-4-2-5-9-20)25-18-14-23(15-19-25)21-10-6-3-7-11-21;1-20(18-10-6-3-7-11-18)19-14-12-17(13-15-19)16-8-4-2-5-9-16;1-11-9-14-7-5-12-3-2-4-13-6-8-15(10-11)17(14)16(12)13;1-11-5-6-14-8-7-12-3-2-4-13-9-10-15(11)17(14)16(12)13;1-12-6-4-8-14(10-12)16(3)15-9-5-7-13(2)11-15;1-14(12-8-4-2-5-9-12)13-10-6-3-7-11-13/h2-19H,1H3;2-15H,1H3;2*2-10H,1H3;4-11H,1-3H3;2-11H,1H3
InChIKeyFXSBFCSDKQONIJ-UHFFFAOYSA-N
MW1421.93 g/mol
LogP29.22
Rot. Bonds11

About N,3-dimethyl-N-(3-methylphenyl)aniline;N-methyl-N,4-diphenylaniline;N-methyl-N-phenylaniline;N-methyl-4-phenyl-N-(4-phenylphenyl)aniline;1-methylpyrene;2-methylpyrene

N,3-dimethyl-N-(3-methylphenyl)aniline;N-methyl-N,4-diphenylaniline;N-methyl-N-phenylaniline;N-methyl-4-phenyl-N-(4-phenylphenyl)aniline;1-methylpyrene;2-methylpyrene (PubChem CID 158173263) has the molecular formula C106H92N4 and a molecular weight of 1421.93 g/mol. Its IUPAC name is N,3-dimethyl-N-(3-methylphenyl)aniline;N-methyl-N,4-diphenylaniline;N-methyl-N-phenylaniline;N-methyl-4-phenyl-N-(4-phenylphenyl)aniline;1-methylpyrene;2-methylpyrene.

Molecular Properties

Compound NameN,3-dimethyl-N-(3-methylphenyl)aniline;N-methyl-N,4-diphenylaniline;N-methyl-N-phenylaniline;N-methyl-4-phenyl-N-(4-phenylphenyl)aniline;1-methylpyrene;2-methylpyrene
PubChem CID158173263
Molecular FormulaC106H92N4
Molecular Weight1421.93 g/mol
Exact Mass1420.73
IUPAC NameN,3-dimethyl-N-(3-methylphenyl)aniline;N-methyl-N,4-diphenylaniline;N-methyl-N-phenylaniline;N-methyl-4-phenyl-N-(4-phenylphenyl)aniline;1-methylpyrene;2-methylpyrene
SMILESCN(c1ccc(-c2ccccc2)cc1)c1ccc(-c2ccccc2)cc1.CN(c1ccccc1)c1ccc(-c2ccccc2)cc1.CN(c1ccccc1)c1ccccc1.Cc1cc2ccc3cccc4ccc(c1)c2c34.Cc1ccc2ccc3cccc4ccc1c2c34.Cc1cccc(N(C)c2cccc(C)c2)c1
InChIInChI=1S/C25H21N.C19H17N.2C17H12.C15H17N.C13H13N/c1-26(24-16-12-22(13-17-24)20-8-4-2-5-9-20)25-18-14-23(15-19-25)21-10-6-3-7-11-21;1-20(18-10-6-3-7-11-18)19-14-12-17(13-15-19)16-8-4-2-5-9-16;1-11-9-14-7-5-12-3-2-4-13-6-8-15(10-11)17(14)16(12)13;1-11-5-6-14-8-7-12-3-2-4-13-9-10-15(11)17(14)16(12)13;1-12-6-4-8-14(10-12)16(3)15-9-5-7-13(2)11-15;1-14(12-8-4-2-5-9-12)13-10-6-3-7-11-13/h2-19H,1H3;2-15H,1H3;2*2-10H,1H3;4-11H,1-3H3;2-11H,1H3
InChIKeyFXSBFCSDKQONIJ-UHFFFAOYSA-N
XLogP29.22
TPSA12.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms110
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001421.93
LogP ≤ 529.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N,3-dimethyl-N-(3-methylphenyl)aniline;N-methyl-N,4-diphenylaniline;N-methyl-N-phenylaniline;N-methyl-4-phenyl-N-(4-phenylphenyl)aniline;1-methylpyrene;2-methylpyrene with MolForge

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Related Compounds

1-N-methyl-1-N-(3-methylphenyl)-4-N-naphthalen-1-yl-4-N-(4-phenylphenyl)benzene-1,4-diamine
CID 59431746
1-N,6-N-bis(3-methylphenyl)-1-N,6-N-bis(2-methyl-5-phenylphenyl)pyrene-1,6-diamine
CID 129062537
methanamine;1-methyl-4-phenylbenzene;1-methylpyrene;propane
CID 143743290
N-[4-[4-(N,3-dimethylanilino)phenyl]phenyl]-N-phenylnaphthalen-1-amine;N-[4-[4-(N,4-dimethylanilino)phenyl]phenyl]-N-phenylnaphthalen-1-amine;N-[4-[4-(4-methoxy-N-methylanilino)phenyl]phenyl]-N-phenylnaphthalen-1-amine
CID 160664392
N-methyl-4-[3-(4-methylphenyl)phenyl]-N-phenylaniline
CID 58151391
ethane;3-methylperylene;4-methyl-N-phenyl-N-(4-phenylphenyl)aniline
CID 143269201
N-[4-[4-(N,3-dimethylanilino)phenyl]phenyl]-N-naphthalen-2-ylnaphthalen-2-amine;N-[4-[4-(4-methoxy-N-methylanilino)phenyl]phenyl]-N-naphthalen-2-ylnaphthalen-2-amine
CID 160743025
1-N-(3-methoxyphenyl)-1-N-methyl-4-N,4-N-bis(4-phenylphenyl)benzene-1,4-diamine;1-N-(4-methoxyphenyl)-1-N-methyl-4-N,4-N-bis(4-phenylphenyl)benzene-1,4-diamine;1-N-methyl-1-N-(3-methylphenyl)-4-N,4-N-bis(4-phenylphenyl)benzene-1,4-diamine
CID 162104792
ethane;ethylbenzene;methane;3-methylfluoranthene;bis(1-methylnaphthalene);9-methylphenanthrene;bis(1-methyl-4-phenylbenzene);4-(4-methylphenyl)-N,N-diphenylaniline;1-methylpyrene;2-methylpyrene;toluene
CID 160629634
N-methyl-8-phenyl-N-(4-phenylphenyl)naphthalen-2-amine
CID 163926030
1-N-(3-methylphenyl)-1-N,6-N,6-N-triphenylpyrene-1,6-diamine
CID 143254467
N-methyl-N-[4-[4-(N-(4-phenylphenyl)anilino)phenyl]phenyl]naphthalen-2-amine;N-methyl-4-phenyl-N-[4-[4-(N-(4-phenylphenyl)anilino)phenyl]phenyl]aniline
CID 158523438

Frequently Asked Questions

What is the IUPAC name of N,3-dimethyl-N-(3-methylphenyl)aniline;N-methyl-N,4-diphenylaniline;N-methyl-N-phenylaniline;N-methyl-4-phenyl-N-(4-phenylphenyl)aniline;1-methylpyrene;2-methylpyrene?
The IUPAC name of N,3-dimethyl-N-(3-methylphenyl)aniline;N-methyl-N,4-diphenylaniline;N-methyl-N-phenylaniline;N-methyl-4-phenyl-N-(4-phenylphenyl)aniline;1-methylpyrene;2-methylpyrene (CID 158173263) is N,3-dimethyl-N-(3-methylphenyl)aniline;N-methyl-N,4-diphenylaniline;N-methyl-N-phenylaniline;N-methyl-4-phenyl-N-(4-phenylphenyl)aniline;1-methylpyrene;2-methylpyrene.
What is the SMILES notation for N,3-dimethyl-N-(3-methylphenyl)aniline;N-methyl-N,4-diphenylaniline;N-methyl-N-phenylaniline;N-methyl-4-phenyl-N-(4-phenylphenyl)aniline;1-methylpyrene;2-methylpyrene?
The canonical SMILES for N,3-dimethyl-N-(3-methylphenyl)aniline;N-methyl-N,4-diphenylaniline;N-methyl-N-phenylaniline;N-methyl-4-phenyl-N-(4-phenylphenyl)aniline;1-methylpyrene;2-methylpyrene is CN(c1ccc(-c2ccccc2)cc1)c1ccc(-c2ccccc2)cc1.CN(c1ccccc1)c1ccc(-c2ccccc2)cc1.CN(c1ccccc1)c1ccccc1.Cc1cc2ccc3cccc4ccc(c1)c2c34.Cc1ccc2ccc3cccc4ccc1c2c34.Cc1cccc(N(C)c2cccc(C)c2)c1.
What is the InChIKey of N,3-dimethyl-N-(3-methylphenyl)aniline;N-methyl-N,4-diphenylaniline;N-methyl-N-phenylaniline;N-methyl-4-phenyl-N-(4-phenylphenyl)aniline;1-methylpyrene;2-methylpyrene?
The InChIKey is FXSBFCSDKQONIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21N.C19H17N.2C17H12.C15H17N.C13H13N/c1-26(24-16-12-22(13-17-24)20-8-4-2-5-9-20)25-18-14-23(15-19-25)21-10-6-3-7-11-21;1-20(18-10-6-3-7-11-18)19-14-12-17(13-15-19)16-8-4-2-5-9-16;1-11-9-14-7-5-12-3-2-4-13-6-8-15(10-11)17(14)16(12)13;1-11-5-6-14-8-7-12-3-2-4-13-9-10-15(11)17(14)16(12)13;1-12-6-4-8-14(10-12)16(3)15-9-5-7-13(2)11-15;1-14(12-8-4-2-5-9-12)13-10-6-3-7-11-13/h2-19H,1H3;2-15H,1H3;2*2-10H,1H3;4-11H,1-3H3;2-11H,1H3.
What are the key properties of N,3-dimethyl-N-(3-methylphenyl)aniline;N-methyl-N,4-diphenylaniline;N-methyl-N-phenylaniline;N-methyl-4-phenyl-N-(4-phenylphenyl)aniline;1-methylpyrene;2-methylpyrene?
N,3-dimethyl-N-(3-methylphenyl)aniline;N-methyl-N,4-diphenylaniline;N-methyl-N-phenylaniline;N-methyl-4-phenyl-N-(4-phenylphenyl)aniline;1-methylpyrene;2-methylpyrene has a molecular weight of 1421.93 g/mol, XLogP of 29.22, 11 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,3-dimethyl-N-(3-methylphenyl)aniline;N-methyl-N,4-diphenylaniline;N-methyl-N-phenylaniline;N-methyl-4-phenyl-N-(4-phenylphenyl)aniline;1-methylpyrene;2-methylpyrene is sourced from PubChem (CID 158173263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).