N-[4-[4-(N-methylanilino)phenyl]sulfanylphenyl]-4-(4-methylphenyl)-N-phenylaniline

C38H32N2S — CID 23593164

IUPACN-[4-[4-(N-methylanilino)phenyl]sulfanylphenyl]-4-(4-methylphenyl)-N-phenylaniline
SMILESCc1ccc(-c2ccc(N(c3ccccc3)c3ccc(Sc4ccc(N(C)c5ccccc5)cc4)cc3)cc2)cc1
InChIInChI=1S/C38H32N2S/c1-29-13-15-30(16-14-29)31-17-19-35(20-18-31)40(34-11-7-4-8-12-34)36-23-27-38(28-24-36)41-37-25-21-33(22-26-37)39(2)32-9-5-3-6-10-32/h3-28H,1-2H3
InChIKeyMEDYQZXRWAWCPY-UHFFFAOYSA-N
MW548.76 g/mol
LogP11.05
Rot. Bonds8

About N-[4-[4-(N-methylanilino)phenyl]sulfanylphenyl]-4-(4-methylphenyl)-N-phenylaniline

N-[4-[4-(N-methylanilino)phenyl]sulfanylphenyl]-4-(4-methylphenyl)-N-phenylaniline (PubChem CID 23593164) has the molecular formula C38H32N2S and a molecular weight of 548.76 g/mol. Its IUPAC name is N-[4-[4-(N-methylanilino)phenyl]sulfanylphenyl]-4-(4-methylphenyl)-N-phenylaniline.

Molecular Properties

Compound NameN-[4-[4-(N-methylanilino)phenyl]sulfanylphenyl]-4-(4-methylphenyl)-N-phenylaniline
PubChem CID23593164
Molecular FormulaC38H32N2S
Molecular Weight548.76 g/mol
Exact Mass548.23
IUPAC NameN-[4-[4-(N-methylanilino)phenyl]sulfanylphenyl]-4-(4-methylphenyl)-N-phenylaniline
SMILESCc1ccc(-c2ccc(N(c3ccccc3)c3ccc(Sc4ccc(N(C)c5ccccc5)cc4)cc3)cc2)cc1
InChIInChI=1S/C38H32N2S/c1-29-13-15-30(16-14-29)31-17-19-35(20-18-31)40(34-11-7-4-8-12-34)36-23-27-38(28-24-36)41-37-25-21-33(22-26-37)39(2)32-9-5-3-6-10-32/h3-28H,1-2H3
InChIKeyMEDYQZXRWAWCPY-UHFFFAOYSA-N
XLogP11.05
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500548.76
LogP ≤ 511.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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
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-methylphenyl)anilino)phenyl]sulfanylphenyl]-N-(4-methylphenyl)aniline
CID 18996742
N-[4-[4-(N-methylanilino)phenoxy]phenyl]-4-(4-methylphenyl)-N-phenylaniline
CID 23593163
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
benzene;N,4-dimethyl-N-phenylaniline
CID 71196716
4-methyl-N-[4-[4-(4-methyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]-N-(4-phenylphenyl)aniline
CID 19604781

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-(N-methylanilino)phenyl]sulfanylphenyl]-4-(4-methylphenyl)-N-phenylaniline?
The IUPAC name of N-[4-[4-(N-methylanilino)phenyl]sulfanylphenyl]-4-(4-methylphenyl)-N-phenylaniline (CID 23593164) is N-[4-[4-(N-methylanilino)phenyl]sulfanylphenyl]-4-(4-methylphenyl)-N-phenylaniline.
What is the SMILES notation for N-[4-[4-(N-methylanilino)phenyl]sulfanylphenyl]-4-(4-methylphenyl)-N-phenylaniline?
The canonical SMILES for N-[4-[4-(N-methylanilino)phenyl]sulfanylphenyl]-4-(4-methylphenyl)-N-phenylaniline is Cc1ccc(-c2ccc(N(c3ccccc3)c3ccc(Sc4ccc(N(C)c5ccccc5)cc4)cc3)cc2)cc1.
What is the InChIKey of N-[4-[4-(N-methylanilino)phenyl]sulfanylphenyl]-4-(4-methylphenyl)-N-phenylaniline?
The InChIKey is MEDYQZXRWAWCPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H32N2S/c1-29-13-15-30(16-14-29)31-17-19-35(20-18-31)40(34-11-7-4-8-12-34)36-23-27-38(28-24-36)41-37-25-21-33(22-26-37)39(2)32-9-5-3-6-10-32/h3-28H,1-2H3.
What are the key properties of N-[4-[4-(N-methylanilino)phenyl]sulfanylphenyl]-4-(4-methylphenyl)-N-phenylaniline?
N-[4-[4-(N-methylanilino)phenyl]sulfanylphenyl]-4-(4-methylphenyl)-N-phenylaniline has a molecular weight of 548.76 g/mol, XLogP of 11.05, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-(N-methylanilino)phenyl]sulfanylphenyl]-4-(4-methylphenyl)-N-phenylaniline is sourced from PubChem (CID 23593164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).