4-[4-(dimethylamino)phenyl]-N,N-dimethylaniline;9-methylcarbazole;4-methyl-N,N-diphenylaniline;1-N,1-N,4-N-trimethyl-4-N-phenylbenzene-1,4-diamine

C63H66N6 — CID 160843476

IUPAC4-[4-(dimethylamino)phenyl]-N,N-dimethylaniline;9-methylcarbazole;4-methyl-N,N-diphenylaniline;1-N,1-N,4-N-trimethyl-4-N-phenylbenzene-1,4-diamine
SMILESCN(C)c1ccc(-c2ccc(N(C)C)cc2)cc1.CN(C)c1ccc(N(C)c2ccccc2)cc1.Cc1ccc(N(c2ccccc2)c2ccccc2)cc1.Cn1c2ccccc2c2ccccc21
InChIInChI=1S/C19H17N.C16H20N2.C15H18N2.C13H11N/c1-16-12-14-19(15-13-16)20(17-8-4-2-5-9-17)18-10-6-3-7-11-18;1-17(2)15-9-5-13(6-10-15)14-7-11-16(12-8-14)18(3)4;1-16(2)13-9-11-15(12-10-13)17(3)14-7-5-4-6-8-14;1-14-12-8-4-2-6-10(12)11-7-3-5-9-13(11)14/h2-15H,1H3;5-12H,1-4H3;4-12H,1-3H3;2-9H,1H3
InChIKeySIIJMMHKQJSIPT-UHFFFAOYSA-N
MW907.26 g/mol
LogP15.80
Rot. Bonds9

About 4-[4-(dimethylamino)phenyl]-N,N-dimethylaniline;9-methylcarbazole;4-methyl-N,N-diphenylaniline;1-N,1-N,4-N-trimethyl-4-N-phenylbenzene-1,4-diamine

4-[4-(dimethylamino)phenyl]-N,N-dimethylaniline;9-methylcarbazole;4-methyl-N,N-diphenylaniline;1-N,1-N,4-N-trimethyl-4-N-phenylbenzene-1,4-diamine (PubChem CID 160843476) has the molecular formula C63H66N6 and a molecular weight of 907.26 g/mol. Its IUPAC name is 4-[4-(dimethylamino)phenyl]-N,N-dimethylaniline;9-methylcarbazole;4-methyl-N,N-diphenylaniline;1-N,1-N,4-N-trimethyl-4-N-phenylbenzene-1,4-diamine.

Molecular Properties

Compound Name4-[4-(dimethylamino)phenyl]-N,N-dimethylaniline;9-methylcarbazole;4-methyl-N,N-diphenylaniline;1-N,1-N,4-N-trimethyl-4-N-phenylbenzene-1,4-diamine
PubChem CID160843476
Molecular FormulaC63H66N6
Molecular Weight907.26 g/mol
Exact Mass906.53
IUPAC Name4-[4-(dimethylamino)phenyl]-N,N-dimethylaniline;9-methylcarbazole;4-methyl-N,N-diphenylaniline;1-N,1-N,4-N-trimethyl-4-N-phenylbenzene-1,4-diamine
SMILESCN(C)c1ccc(-c2ccc(N(C)C)cc2)cc1.CN(C)c1ccc(N(C)c2ccccc2)cc1.Cc1ccc(N(c2ccccc2)c2ccccc2)cc1.Cn1c2ccccc2c2ccccc21
InChIInChI=1S/C19H17N.C16H20N2.C15H18N2.C13H11N/c1-16-12-14-19(15-13-16)20(17-8-4-2-5-9-17)18-10-6-3-7-11-18;1-17(2)15-9-5-13(6-10-15)14-7-11-16(12-8-14)18(3)4;1-16(2)13-9-11-15(12-10-13)17(3)14-7-5-4-6-8-14;1-14-12-8-4-2-6-10(12)11-7-3-5-9-13(11)14/h2-15H,1H3;5-12H,1-4H3;4-12H,1-3H3;2-9H,1H3
InChIKeySIIJMMHKQJSIPT-UHFFFAOYSA-N
XLogP15.80
TPSA21.13 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms69
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500907.26
LogP ≤ 515.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-methyl-4-(9-methylcarbazol-3-yl)-N-phenylaniline
CID 126632601
1-N-methyl-1-N,4-N-bis(4-methylphenyl)-4-N-phenylbenzene-1,4-diamine
CID 59431689
1-N-methyl-4-N-[4-(N-(4-methylphenyl)anilino)phenyl]-1-N,4-N-diphenylbenzene-1,4-diamine
CID 58038448
4-N-[4-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]phenyl]-1-N,1-N,4-N-triphenylbenzene-1,4-diamine
CID 165386569
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
4-methyl-N-[4-[4-(N-[4-[4-(N-(4-methylphenyl)anilino)phenyl]phenyl]anilino)phenyl]phenyl]-N-phenylaniline
CID 22598588
N-[4-[4-(N-methylanilino)phenoxy]phenyl]-4-(4-methylphenyl)-N-phenylaniline
CID 23593163
N-(4-carbazol-9-ylphenyl)-4-(9-methylcarbazol-3-yl)-N-phenylaniline
CID 59501739
3-carbazol-9-yl-9-methylcarbazole;4-carbazol-9-yl-N-methyl-N-phenylaniline;9-methyl-N,N-diphenylcarbazol-3-amine
CID 160890732
4-[4-[3,5-bis[4-(N-phenylanilino)phenyl]phenyl]phenyl]-N-(4-carbazol-9-ylphenyl)-N-[4-[3-[4-(N-(4-carbazol-9-ylphenyl)anilino)phenyl]-5-(4-methylphenyl)phenyl]phenyl]aniline
CID 146331747
N-[4-[4-(N-methylanilino)phenyl]sulfanylphenyl]-4-(4-methylphenyl)-N-phenylaniline
CID 23593164

Frequently Asked Questions

What is the IUPAC name of 4-[4-(dimethylamino)phenyl]-N,N-dimethylaniline;9-methylcarbazole;4-methyl-N,N-diphenylaniline;1-N,1-N,4-N-trimethyl-4-N-phenylbenzene-1,4-diamine?
The IUPAC name of 4-[4-(dimethylamino)phenyl]-N,N-dimethylaniline;9-methylcarbazole;4-methyl-N,N-diphenylaniline;1-N,1-N,4-N-trimethyl-4-N-phenylbenzene-1,4-diamine (CID 160843476) is 4-[4-(dimethylamino)phenyl]-N,N-dimethylaniline;9-methylcarbazole;4-methyl-N,N-diphenylaniline;1-N,1-N,4-N-trimethyl-4-N-phenylbenzene-1,4-diamine.
What is the SMILES notation for 4-[4-(dimethylamino)phenyl]-N,N-dimethylaniline;9-methylcarbazole;4-methyl-N,N-diphenylaniline;1-N,1-N,4-N-trimethyl-4-N-phenylbenzene-1,4-diamine?
The canonical SMILES for 4-[4-(dimethylamino)phenyl]-N,N-dimethylaniline;9-methylcarbazole;4-methyl-N,N-diphenylaniline;1-N,1-N,4-N-trimethyl-4-N-phenylbenzene-1,4-diamine is CN(C)c1ccc(-c2ccc(N(C)C)cc2)cc1.CN(C)c1ccc(N(C)c2ccccc2)cc1.Cc1ccc(N(c2ccccc2)c2ccccc2)cc1.Cn1c2ccccc2c2ccccc21.
What is the InChIKey of 4-[4-(dimethylamino)phenyl]-N,N-dimethylaniline;9-methylcarbazole;4-methyl-N,N-diphenylaniline;1-N,1-N,4-N-trimethyl-4-N-phenylbenzene-1,4-diamine?
The InChIKey is SIIJMMHKQJSIPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N.C16H20N2.C15H18N2.C13H11N/c1-16-12-14-19(15-13-16)20(17-8-4-2-5-9-17)18-10-6-3-7-11-18;1-17(2)15-9-5-13(6-10-15)14-7-11-16(12-8-14)18(3)4;1-16(2)13-9-11-15(12-10-13)17(3)14-7-5-4-6-8-14;1-14-12-8-4-2-6-10(12)11-7-3-5-9-13(11)14/h2-15H,1H3;5-12H,1-4H3;4-12H,1-3H3;2-9H,1H3.
What are the key properties of 4-[4-(dimethylamino)phenyl]-N,N-dimethylaniline;9-methylcarbazole;4-methyl-N,N-diphenylaniline;1-N,1-N,4-N-trimethyl-4-N-phenylbenzene-1,4-diamine?
4-[4-(dimethylamino)phenyl]-N,N-dimethylaniline;9-methylcarbazole;4-methyl-N,N-diphenylaniline;1-N,1-N,4-N-trimethyl-4-N-phenylbenzene-1,4-diamine has a molecular weight of 907.26 g/mol, XLogP of 15.80, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(dimethylamino)phenyl]-N,N-dimethylaniline;9-methylcarbazole;4-methyl-N,N-diphenylaniline;1-N,1-N,4-N-trimethyl-4-N-phenylbenzene-1,4-diamine is sourced from PubChem (CID 160843476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).