N,2,3,4,5,6-hexamethyl-N-phenylaniline;N,2,3,4,5,6-hexamethyl-N-(4-phenylphenyl)aniline;N-methyl-N,4-diphenylaniline;N,2,4,6-tetramethyl-N-phenylaniline;N,2,4,6-tetramethyl-N-(4-phenylphenyl)aniline

C99H109N5 — CID 160738204

IUPACN,2,3,4,5,6-hexamethyl-N-phenylaniline;N,2,3,4,5,6-hexamethyl-N-(4-phenylphenyl)aniline;N-methyl-N,4-diphenylaniline;N,2,4,6-tetramethyl-N-phenylaniline;N,2,4,6-tetramethyl-N-(4-phenylphenyl)aniline
SMILESCN(c1ccccc1)c1ccc(-c2ccccc2)cc1.Cc1c(C)c(C)c(N(C)c2ccc(-c3ccccc3)cc2)c(C)c1C.Cc1c(C)c(C)c(N(C)c2ccccc2)c(C)c1C.Cc1cc(C)c(N(C)c2ccc(-c3ccccc3)cc2)c(C)c1.Cc1cc(C)c(N(C)c2ccccc2)c(C)c1
InChIInChI=1S/C24H27N.C22H23N.C19H17N.C18H23N.C16H19N/c1-16-17(2)19(4)24(20(5)18(16)3)25(6)23-14-12-22(13-15-23)21-10-8-7-9-11-21;1-16-14-17(2)22(18(3)15-16)23(4)21-12-10-20(11-13-21)19-8-6-5-7-9-19;1-20(18-10-6-3-7-11-18)19-14-12-17(13-15-19)16-8-4-2-5-9-16;1-12-13(2)15(4)18(16(5)14(12)3)19(6)17-10-8-7-9-11-17;1-12-10-13(2)16(14(3)11-12)17(4)15-8-6-5-7-9-15/h7-15H,1-6H3;5-15H,1-4H3;2-15H,1H3;7-11H,1-6H3;5-11H,1-4H3
InChIKeyRVFPEDDMKWXGAP-UHFFFAOYSA-N
MW1369.00 g/mol
LogP27.21
Rot. Bonds13

About N,2,3,4,5,6-hexamethyl-N-phenylaniline;N,2,3,4,5,6-hexamethyl-N-(4-phenylphenyl)aniline;N-methyl-N,4-diphenylaniline;N,2,4,6-tetramethyl-N-phenylaniline;N,2,4,6-tetramethyl-N-(4-phenylphenyl)aniline

N,2,3,4,5,6-hexamethyl-N-phenylaniline;N,2,3,4,5,6-hexamethyl-N-(4-phenylphenyl)aniline;N-methyl-N,4-diphenylaniline;N,2,4,6-tetramethyl-N-phenylaniline;N,2,4,6-tetramethyl-N-(4-phenylphenyl)aniline (PubChem CID 160738204) has the molecular formula C99H109N5 and a molecular weight of 1369.00 g/mol. Its IUPAC name is N,2,3,4,5,6-hexamethyl-N-phenylaniline;N,2,3,4,5,6-hexamethyl-N-(4-phenylphenyl)aniline;N-methyl-N,4-diphenylaniline;N,2,4,6-tetramethyl-N-phenylaniline;N,2,4,6-tetramethyl-N-(4-phenylphenyl)aniline.

Molecular Properties

Compound NameN,2,3,4,5,6-hexamethyl-N-phenylaniline;N,2,3,4,5,6-hexamethyl-N-(4-phenylphenyl)aniline;N-methyl-N,4-diphenylaniline;N,2,4,6-tetramethyl-N-phenylaniline;N,2,4,6-tetramethyl-N-(4-phenylphenyl)aniline
PubChem CID160738204
Molecular FormulaC99H109N5
Molecular Weight1369.00 g/mol
Exact Mass1367.87
IUPAC NameN,2,3,4,5,6-hexamethyl-N-phenylaniline;N,2,3,4,5,6-hexamethyl-N-(4-phenylphenyl)aniline;N-methyl-N,4-diphenylaniline;N,2,4,6-tetramethyl-N-phenylaniline;N,2,4,6-tetramethyl-N-(4-phenylphenyl)aniline
SMILESCN(c1ccccc1)c1ccc(-c2ccccc2)cc1.Cc1c(C)c(C)c(N(C)c2ccc(-c3ccccc3)cc2)c(C)c1C.Cc1c(C)c(C)c(N(C)c2ccccc2)c(C)c1C.Cc1cc(C)c(N(C)c2ccc(-c3ccccc3)cc2)c(C)c1.Cc1cc(C)c(N(C)c2ccccc2)c(C)c1
InChIInChI=1S/C24H27N.C22H23N.C19H17N.C18H23N.C16H19N/c1-16-17(2)19(4)24(20(5)18(16)3)25(6)23-14-12-22(13-15-23)21-10-8-7-9-11-21;1-16-14-17(2)22(18(3)15-16)23(4)21-12-10-20(11-13-21)19-8-6-5-7-9-19;1-20(18-10-6-3-7-11-18)19-14-12-17(13-15-19)16-8-4-2-5-9-16;1-12-13(2)15(4)18(16(5)14(12)3)19(6)17-10-8-7-9-11-17;1-12-10-13(2)16(14(3)11-12)17(4)15-8-6-5-7-9-15/h7-15H,1-6H3;5-15H,1-4H3;2-15H,1H3;7-11H,1-6H3;5-11H,1-4H3
InChIKeyRVFPEDDMKWXGAP-UHFFFAOYSA-N
XLogP27.21
TPSA16.20 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds13
Heavy Atoms104
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001369.00
LogP ≤ 527.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze N,2,3,4,5,6-hexamethyl-N-phenylaniline;N,2,3,4,5,6-hexamethyl-N-(4-phenylphenyl)aniline;N-methyl-N,4-diphenylaniline;N,2,4,6-tetramethyl-N-phenylaniline;N,2,4,6-tetramethyl-N-(4-phenylphenyl)aniline with MolForge

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Related Compounds

N,2,4,6-tetramethyl-N-(4-phenylphenyl)aniline
CID 145100467
N-methyl-N-phenylaniline;1-methyl-4-(4-phenylphenyl)benzene;1-methyl-4-[4-(4-phenylphenyl)phenyl]benzene;1-methyl-4-[4-[4-(4-phenylphenyl)phenyl]phenyl]benzene
CID 157193805
N-methyl-N-[4-(4-methylphenyl)phenyl]-4-phenylaniline
CID 143685330
N-methyl-N-phenylaniline;N-methyl-4-phenyl-N-(4-phenylphenyl)aniline
CID 157333767
N-methyl-4-[3-(4-methylphenyl)phenyl]-N-phenylaniline
CID 58151391
N,2,3,4,5,6-hexamethyl-N-(4-methylphenyl)aniline
CID 134561307
benzene;N,4-dimethyl-N-phenylaniline
CID 71196716
5-methyl-1-N,3-N-bis(4-phenylphenyl)-1-N,3-N-bis(2,4,6-trimethylphenyl)benzene-1,3-diamine
CID 118415243
N,4-dimethyl-N-phenylaniline;ethane;toluene
CID 143203824
N,2,4,5-tetramethyl-N-(4-phenylphenyl)aniline
CID 134561199
1-N-methyl-4-N-[4-(N-(4-methylphenyl)anilino)phenyl]-1-N,4-N-diphenylbenzene-1,4-diamine
CID 58038448
1-N-methyl-1-N,4-N-bis(4-methylphenyl)-4-N-phenylbenzene-1,4-diamine
CID 59431689

Frequently Asked Questions

What is the IUPAC name of N,2,3,4,5,6-hexamethyl-N-phenylaniline;N,2,3,4,5,6-hexamethyl-N-(4-phenylphenyl)aniline;N-methyl-N,4-diphenylaniline;N,2,4,6-tetramethyl-N-phenylaniline;N,2,4,6-tetramethyl-N-(4-phenylphenyl)aniline?
The IUPAC name of N,2,3,4,5,6-hexamethyl-N-phenylaniline;N,2,3,4,5,6-hexamethyl-N-(4-phenylphenyl)aniline;N-methyl-N,4-diphenylaniline;N,2,4,6-tetramethyl-N-phenylaniline;N,2,4,6-tetramethyl-N-(4-phenylphenyl)aniline (CID 160738204) is N,2,3,4,5,6-hexamethyl-N-phenylaniline;N,2,3,4,5,6-hexamethyl-N-(4-phenylphenyl)aniline;N-methyl-N,4-diphenylaniline;N,2,4,6-tetramethyl-N-phenylaniline;N,2,4,6-tetramethyl-N-(4-phenylphenyl)aniline.
What is the SMILES notation for N,2,3,4,5,6-hexamethyl-N-phenylaniline;N,2,3,4,5,6-hexamethyl-N-(4-phenylphenyl)aniline;N-methyl-N,4-diphenylaniline;N,2,4,6-tetramethyl-N-phenylaniline;N,2,4,6-tetramethyl-N-(4-phenylphenyl)aniline?
The canonical SMILES for N,2,3,4,5,6-hexamethyl-N-phenylaniline;N,2,3,4,5,6-hexamethyl-N-(4-phenylphenyl)aniline;N-methyl-N,4-diphenylaniline;N,2,4,6-tetramethyl-N-phenylaniline;N,2,4,6-tetramethyl-N-(4-phenylphenyl)aniline is CN(c1ccccc1)c1ccc(-c2ccccc2)cc1.Cc1c(C)c(C)c(N(C)c2ccc(-c3ccccc3)cc2)c(C)c1C.Cc1c(C)c(C)c(N(C)c2ccccc2)c(C)c1C.Cc1cc(C)c(N(C)c2ccc(-c3ccccc3)cc2)c(C)c1.Cc1cc(C)c(N(C)c2ccccc2)c(C)c1.
What is the InChIKey of N,2,3,4,5,6-hexamethyl-N-phenylaniline;N,2,3,4,5,6-hexamethyl-N-(4-phenylphenyl)aniline;N-methyl-N,4-diphenylaniline;N,2,4,6-tetramethyl-N-phenylaniline;N,2,4,6-tetramethyl-N-(4-phenylphenyl)aniline?
The InChIKey is RVFPEDDMKWXGAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N.C22H23N.C19H17N.C18H23N.C16H19N/c1-16-17(2)19(4)24(20(5)18(16)3)25(6)23-14-12-22(13-15-23)21-10-8-7-9-11-21;1-16-14-17(2)22(18(3)15-16)23(4)21-12-10-20(11-13-21)19-8-6-5-7-9-19;1-20(18-10-6-3-7-11-18)19-14-12-17(13-15-19)16-8-4-2-5-9-16;1-12-13(2)15(4)18(16(5)14(12)3)19(6)17-10-8-7-9-11-17;1-12-10-13(2)16(14(3)11-12)17(4)15-8-6-5-7-9-15/h7-15H,1-6H3;5-15H,1-4H3;2-15H,1H3;7-11H,1-6H3;5-11H,1-4H3.
What are the key properties of N,2,3,4,5,6-hexamethyl-N-phenylaniline;N,2,3,4,5,6-hexamethyl-N-(4-phenylphenyl)aniline;N-methyl-N,4-diphenylaniline;N,2,4,6-tetramethyl-N-phenylaniline;N,2,4,6-tetramethyl-N-(4-phenylphenyl)aniline?
N,2,3,4,5,6-hexamethyl-N-phenylaniline;N,2,3,4,5,6-hexamethyl-N-(4-phenylphenyl)aniline;N-methyl-N,4-diphenylaniline;N,2,4,6-tetramethyl-N-phenylaniline;N,2,4,6-tetramethyl-N-(4-phenylphenyl)aniline has a molecular weight of 1369.00 g/mol, XLogP of 27.21, 13 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,2,3,4,5,6-hexamethyl-N-phenylaniline;N,2,3,4,5,6-hexamethyl-N-(4-phenylphenyl)aniline;N-methyl-N,4-diphenylaniline;N,2,4,6-tetramethyl-N-phenylaniline;N,2,4,6-tetramethyl-N-(4-phenylphenyl)aniline is sourced from PubChem (CID 160738204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).