N,N-bis[4-(4-chlorophenyl)phenyl]-3-methylaniline

C31H23Cl2N — CID 14669996

IUPACN,N-bis[4-(4-chlorophenyl)phenyl]-3-methylaniline
SMILESCc1cccc(N(c2ccc(-c3ccc(Cl)cc3)cc2)c2ccc(-c3ccc(Cl)cc3)cc2)c1
InChIInChI=1S/C31H23Cl2N/c1-22-3-2-4-31(21-22)34(29-17-9-25(10-18-29)23-5-13-27(32)14-6-23)30-19-11-26(12-20-30)24-7-15-28(33)16-8-24/h2-21H,1H3
InChIKeyQSYFXEDNZLKBBS-UHFFFAOYSA-N
MW480.44 g/mol
LogP10.11
Rot. Bonds5

About N,N-bis[4-(4-chlorophenyl)phenyl]-3-methylaniline

N,N-bis[4-(4-chlorophenyl)phenyl]-3-methylaniline (PubChem CID 14669996) has the molecular formula C31H23Cl2N and a molecular weight of 480.44 g/mol. Its IUPAC name is N,N-bis[4-(4-chlorophenyl)phenyl]-3-methylaniline.

Molecular Properties

Compound NameN,N-bis[4-(4-chlorophenyl)phenyl]-3-methylaniline
PubChem CID14669996
Molecular FormulaC31H23Cl2N
Molecular Weight480.44 g/mol
Exact Mass479.12
IUPAC NameN,N-bis[4-(4-chlorophenyl)phenyl]-3-methylaniline
SMILESCc1cccc(N(c2ccc(-c3ccc(Cl)cc3)cc2)c2ccc(-c3ccc(Cl)cc3)cc2)c1
InChIInChI=1S/C31H23Cl2N/c1-22-3-2-4-31(21-22)34(29-17-9-25(10-18-29)23-5-13-27(32)14-6-23)30-19-11-26(12-20-30)24-7-15-28(33)16-8-24/h2-21H,1H3
InChIKeyQSYFXEDNZLKBBS-UHFFFAOYSA-N
XLogP10.11
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500480.44
LogP ≤ 510.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3-methyl-N-[4-[4-[N-(3-methylphenyl)-4-[4-[N-(3-methylphenyl)-4-[4-(N-(3-methylphenyl)anilino)phenyl]anilino]phenyl]anilino]phenyl]phenyl]-N-phenylaniline
CID 100923468
3-methyl-N-[4-[4-(3-methyl-N-(3-methylphenyl)anilino)phenyl]phenyl]-N-[4-[4-(N-[4-[4-(3-methyl-N-(3-methylphenyl)anilino)phenyl]phenyl]anilino)phenyl]phenyl]aniline
CID 58711214
3-methyl-N-[4-(4-methylphenyl)phenyl]-N-phenylaniline
CID 21349180
1-N-[4-(3-methyl-N-(3-methylphenyl)anilino)phenyl]-1-N,4-N,4-N-tris(3-methylphenyl)benzene-1,4-diamine
CID 20734413
methanethiol;3-methyl-N-[4-[4-(N-(3-methylphenyl)anilino)phenyl]phenyl]-N-phenylaniline
CID 144536774
methane;3-methyl-N-[4-[4-(N-(4-methylphenyl)anilino)phenyl]phenyl]-N-phenylaniline
CID 158674972
N-[4-[4-[N-(4-chlorophenyl)-4-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]anilino]phenyl]phenyl]-4-methyl-N-phenylaniline
CID 153085376
3-methyl-N-[4-[4-(N-(3-methylphenyl)-4-propan-2-ylanilino)phenyl]phenyl]-N-phenylaniline
CID 121295792
4-(3-methylphenyl)-N,N-bis[4-(3-methylphenyl)phenyl]aniline
CID 12049245
N,N-bis(4-chlorophenyl)-3-(trifluoromethyl)aniline;N,N-bis[4-(3-methylphenyl)phenyl]-3-(trifluoromethyl)aniline;1-chloro-3-methylbenzene;methane
CID 158363433
4-N-[4-(4-chlorophenyl)phenyl]-1-N,1-N,4-N-triphenylbenzene-1,4-diamine
CID 59025088
2,3,4,5,6-pentadeuterio-N-[4-[4-(3-methyl-N-(2,3,4,5,6-pentadeuteriophenyl)anilino)phenyl]phenyl]-N-(3-methylphenyl)aniline
CID 102435983

Frequently Asked Questions

What is the IUPAC name of N,N-bis[4-(4-chlorophenyl)phenyl]-3-methylaniline?
The IUPAC name of N,N-bis[4-(4-chlorophenyl)phenyl]-3-methylaniline (CID 14669996) is N,N-bis[4-(4-chlorophenyl)phenyl]-3-methylaniline.
What is the SMILES notation for N,N-bis[4-(4-chlorophenyl)phenyl]-3-methylaniline?
The canonical SMILES for N,N-bis[4-(4-chlorophenyl)phenyl]-3-methylaniline is Cc1cccc(N(c2ccc(-c3ccc(Cl)cc3)cc2)c2ccc(-c3ccc(Cl)cc3)cc2)c1.
What is the InChIKey of N,N-bis[4-(4-chlorophenyl)phenyl]-3-methylaniline?
The InChIKey is QSYFXEDNZLKBBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H23Cl2N/c1-22-3-2-4-31(21-22)34(29-17-9-25(10-18-29)23-5-13-27(32)14-6-23)30-19-11-26(12-20-30)24-7-15-28(33)16-8-24/h2-21H,1H3.
What are the key properties of N,N-bis[4-(4-chlorophenyl)phenyl]-3-methylaniline?
N,N-bis[4-(4-chlorophenyl)phenyl]-3-methylaniline has a molecular weight of 480.44 g/mol, XLogP of 10.11, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis[4-(4-chlorophenyl)phenyl]-3-methylaniline is sourced from PubChem (CID 14669996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).