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

C88H73N — CID 157193805

IUPACN-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
SMILESCN(c1ccccc1)c1ccccc1.Cc1ccc(-c2ccc(-c3ccc(-c4ccc(-c5ccccc5)cc4)cc3)cc2)cc1.Cc1ccc(-c2ccc(-c3ccc(-c4ccccc4)cc3)cc2)cc1.Cc1ccc(-c2ccc(-c3ccccc3)cc2)cc1
InChIInChI=1S/C31H24.C25H20.C19H16.C13H13N/c1-23-7-9-25(10-8-23)27-15-17-29(18-16-27)31-21-19-30(20-22-31)28-13-11-26(12-14-28)24-5-3-2-4-6-24;1-19-7-9-21(10-8-19)23-15-17-25(18-16-23)24-13-11-22(12-14-24)20-5-3-2-4-6-20;1-15-7-9-17(10-8-15)19-13-11-18(12-14-19)16-5-3-2-4-6-16;1-14(12-8-4-2-5-9-12)13-10-6-3-7-11-13/h2-22H,1H3;2-18H,1H3;2-14H,1H3;2-11H,1H3
InChIKeyAPZUMXSGMNLXOO-UHFFFAOYSA-N
MW1144.56 g/mol
LogP24.44
Rot. Bonds11

About 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

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 (PubChem CID 157193805) has the molecular formula C88H73N and a molecular weight of 1144.56 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound NameN-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
PubChem CID157193805
Molecular FormulaC88H73N
Molecular Weight1144.56 g/mol
Exact Mass1143.57
IUPAC NameN-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
SMILESCN(c1ccccc1)c1ccccc1.Cc1ccc(-c2ccc(-c3ccc(-c4ccc(-c5ccccc5)cc4)cc3)cc2)cc1.Cc1ccc(-c2ccc(-c3ccc(-c4ccccc4)cc3)cc2)cc1.Cc1ccc(-c2ccc(-c3ccccc3)cc2)cc1
InChIInChI=1S/C31H24.C25H20.C19H16.C13H13N/c1-23-7-9-25(10-8-23)27-15-17-29(18-16-27)31-21-19-30(20-22-31)28-13-11-26(12-14-28)24-5-3-2-4-6-24;1-19-7-9-21(10-8-19)23-15-17-25(18-16-23)24-13-11-22(12-14-24)20-5-3-2-4-6-20;1-15-7-9-17(10-8-15)19-13-11-18(12-14-19)16-5-3-2-4-6-16;1-14(12-8-4-2-5-9-12)13-10-6-3-7-11-13/h2-22H,1H3;2-18H,1H3;2-14H,1H3;2-11H,1H3
InChIKeyAPZUMXSGMNLXOO-UHFFFAOYSA-N
XLogP24.44
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms89
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001144.56
LogP ≤ 524.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 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 with MolForge

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Related Compounds

N-methyl-N-[4-(4-methylphenyl)phenyl]-4-phenylaniline
CID 143685330
benzene;N,4-dimethyl-N-phenylaniline
CID 71196716
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,4-dimethyl-N-phenylaniline;ethane;toluene
CID 143203824
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
N-[4-[4-(N-methylanilino)phenoxy]phenyl]-4-(4-methylphenyl)-N-phenylaniline
CID 23593163
N-[4-[4-(N-methylanilino)phenyl]sulfanylphenyl]-4-(4-methylphenyl)-N-phenylaniline
CID 23593164
ethane;bis(1-methyl-4-phenylbenzene);bis(1,4-xylene)
CID 159318661
ethane;bis(N-methyl-N-phenylaniline)
CID 160716887
ethane;1-methyl-4-[4-(4-phenylphenyl)phenyl]benzene
CID 142405863

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CN(c1ccccc1)c1ccccc1.Cc1ccc(-c2ccc(-c3ccc(-c4ccc(-c5ccccc5)cc4)cc3)cc2)cc1.Cc1ccc(-c2ccc(-c3ccc(-c4ccccc4)cc3)cc2)cc1.Cc1ccc(-c2ccc(-c3ccccc3)cc2)cc1.
What is the InChIKey of 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?
The InChIKey is APZUMXSGMNLXOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H24.C25H20.C19H16.C13H13N/c1-23-7-9-25(10-8-23)27-15-17-29(18-16-27)31-21-19-30(20-22-31)28-13-11-26(12-14-28)24-5-3-2-4-6-24;1-19-7-9-21(10-8-19)23-15-17-25(18-16-23)24-13-11-22(12-14-24)20-5-3-2-4-6-20;1-15-7-9-17(10-8-15)19-13-11-18(12-14-19)16-5-3-2-4-6-16;1-14(12-8-4-2-5-9-12)13-10-6-3-7-11-13/h2-22H,1H3;2-18H,1H3;2-14H,1H3;2-11H,1H3.
What are the key properties of 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?
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 has a molecular weight of 1144.56 g/mol, XLogP of 24.44, 11 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 157193805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).