4-(N-[4-[4-(N-(4-methylphenyl)anilino)phenyl]phenyl]anilino)phenol

C37H30N2O — CID 20686206

IUPAC4-(N-[4-[4-(N-(4-methylphenyl)anilino)phenyl]phenyl]anilino)phenol
SMILESCc1ccc(N(c2ccccc2)c2ccc(-c3ccc(N(c4ccccc4)c4ccc(O)cc4)cc3)cc2)cc1
InChIInChI=1S/C37H30N2O/c1-28-12-18-33(19-13-28)38(31-8-4-2-5-9-31)34-20-14-29(15-21-34)30-16-22-35(23-17-30)39(32-10-6-3-7-11-32)36-24-26-37(40)27-25-36/h2-27,40H,1H3
InChIKeyFMYXROYYPPFEFD-UHFFFAOYSA-N
MW518.66 g/mol
LogP10.31
Rot. Bonds7

About 4-(N-[4-[4-(N-(4-methylphenyl)anilino)phenyl]phenyl]anilino)phenol

4-(N-[4-[4-(N-(4-methylphenyl)anilino)phenyl]phenyl]anilino)phenol (PubChem CID 20686206) has the molecular formula C37H30N2O and a molecular weight of 518.66 g/mol. Its IUPAC name is 4-(N-[4-[4-(N-(4-methylphenyl)anilino)phenyl]phenyl]anilino)phenol.

Molecular Properties

Compound Name4-(N-[4-[4-(N-(4-methylphenyl)anilino)phenyl]phenyl]anilino)phenol
PubChem CID20686206
Molecular FormulaC37H30N2O
Molecular Weight518.66 g/mol
Exact Mass518.24
IUPAC Name4-(N-[4-[4-(N-(4-methylphenyl)anilino)phenyl]phenyl]anilino)phenol
SMILESCc1ccc(N(c2ccccc2)c2ccc(-c3ccc(N(c4ccccc4)c4ccc(O)cc4)cc3)cc2)cc1
InChIInChI=1S/C37H30N2O/c1-28-12-18-33(19-13-28)38(31-8-4-2-5-9-31)34-20-14-29(15-21-34)30-16-22-35(23-17-30)39(32-10-6-3-7-11-32)36-24-26-37(40)27-25-36/h2-27,40H,1H3
InChIKeyFMYXROYYPPFEFD-UHFFFAOYSA-N
XLogP10.31
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500518.66
LogP ≤ 510.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-methyl-N,N-bis(4-methylphenyl)aniline;phenol
CID 70600913
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
4-methyl-N-[4-[4-(4-methyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]-N-(4-phenylphenyl)aniline
CID 19604781
N-[4-[3,5-bis[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]phenyl]phenyl]-4-methyl-N-(4-methylphenyl)aniline;4-[3,5-bis[4-(N-phenylanilino)phenyl]phenyl]-N,N-diphenylaniline
CID 159992995
ethane;tris(4-methyl-N,N-diphenylaniline)
CID 159159918
N,N-diphenyl-4-[4-[4-(N-phenylanilino)phenyl]phenyl]aniline;ethane
CID 143515973
N,N-diphenyl-4-[4-[4-[4-(N-phenylanilino)phenyl]-N-[4-[4-[4-[4-(N-phenylanilino)phenyl]-N-[4-[4-(N-phenylanilino)phenyl]phenyl]anilino]phenyl]phenyl]anilino]phenyl]aniline
CID 19708505
N-[4-(4-iodophenyl)phenyl]-4-methyl-N-phenylaniline
CID 174505698
N,N-diphenyl-4-[4-(N-phenylanilino)phenyl]aniline;N,N-diphenyl-4-[4-(N-[4-[4-(N-[4-[4-(N-phenylanilino)phenyl]phenyl]anilino)phenyl]phenyl]anilino)phenyl]aniline;N,N-diphenyl-4-[4-[4-(N-[4-[4-(N-[4-[4-[4-(N-phenylanilino)phenyl]phenyl]phenyl]anilino)phenyl]phenyl]anilino)phenyl]phenyl]aniline
CID 158321968

Frequently Asked Questions

What is the IUPAC name of 4-(N-[4-[4-(N-(4-methylphenyl)anilino)phenyl]phenyl]anilino)phenol?
The IUPAC name of 4-(N-[4-[4-(N-(4-methylphenyl)anilino)phenyl]phenyl]anilino)phenol (CID 20686206) is 4-(N-[4-[4-(N-(4-methylphenyl)anilino)phenyl]phenyl]anilino)phenol.
What is the SMILES notation for 4-(N-[4-[4-(N-(4-methylphenyl)anilino)phenyl]phenyl]anilino)phenol?
The canonical SMILES for 4-(N-[4-[4-(N-(4-methylphenyl)anilino)phenyl]phenyl]anilino)phenol is Cc1ccc(N(c2ccccc2)c2ccc(-c3ccc(N(c4ccccc4)c4ccc(O)cc4)cc3)cc2)cc1.
What is the InChIKey of 4-(N-[4-[4-(N-(4-methylphenyl)anilino)phenyl]phenyl]anilino)phenol?
The InChIKey is FMYXROYYPPFEFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H30N2O/c1-28-12-18-33(19-13-28)38(31-8-4-2-5-9-31)34-20-14-29(15-21-34)30-16-22-35(23-17-30)39(32-10-6-3-7-11-32)36-24-26-37(40)27-25-36/h2-27,40H,1H3.
What are the key properties of 4-(N-[4-[4-(N-(4-methylphenyl)anilino)phenyl]phenyl]anilino)phenol?
4-(N-[4-[4-(N-(4-methylphenyl)anilino)phenyl]phenyl]anilino)phenol has a molecular weight of 518.66 g/mol, XLogP of 10.31, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(N-[4-[4-(N-(4-methylphenyl)anilino)phenyl]phenyl]anilino)phenol is sourced from PubChem (CID 20686206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).