N-methyl-N-[4-[4-(N-[4-(4-methylphenyl)phenyl]anilino)phenyl]phenyl]dibenzothiophen-2-amine

C44H34N2S — CID 23593343

IUPACN-methyl-N-[4-[4-(N-[4-(4-methylphenyl)phenyl]anilino)phenyl]phenyl]dibenzothiophen-2-amine
SMILESCc1ccc(-c2ccc(N(c3ccccc3)c3ccc(-c4ccc(N(C)c5ccc6sc7ccccc7c6c5)cc4)cc3)cc2)cc1
InChIInChI=1S/C44H34N2S/c1-31-12-14-32(15-13-31)34-18-24-38(25-19-34)46(37-8-4-3-5-9-37)39-26-20-35(21-27-39)33-16-22-36(23-17-33)45(2)40-28-29-44-42(30-40)41-10-6-7-11-43(41)47-44/h3-30H,1-2H3
InChIKeyCBHLQKKWYQUIKW-UHFFFAOYSA-N
MW622.84 g/mol
LogP12.93
Rot. Bonds7

About N-methyl-N-[4-[4-(N-[4-(4-methylphenyl)phenyl]anilino)phenyl]phenyl]dibenzothiophen-2-amine

N-methyl-N-[4-[4-(N-[4-(4-methylphenyl)phenyl]anilino)phenyl]phenyl]dibenzothiophen-2-amine (PubChem CID 23593343) has the molecular formula C44H34N2S and a molecular weight of 622.84 g/mol. Its IUPAC name is N-methyl-N-[4-[4-(N-[4-(4-methylphenyl)phenyl]anilino)phenyl]phenyl]dibenzothiophen-2-amine.

Molecular Properties

Compound NameN-methyl-N-[4-[4-(N-[4-(4-methylphenyl)phenyl]anilino)phenyl]phenyl]dibenzothiophen-2-amine
PubChem CID23593343
Molecular FormulaC44H34N2S
Molecular Weight622.84 g/mol
Exact Mass622.24
IUPAC NameN-methyl-N-[4-[4-(N-[4-(4-methylphenyl)phenyl]anilino)phenyl]phenyl]dibenzothiophen-2-amine
SMILESCc1ccc(-c2ccc(N(c3ccccc3)c3ccc(-c4ccc(N(C)c5ccc6sc7ccccc7c6c5)cc4)cc3)cc2)cc1
InChIInChI=1S/C44H34N2S/c1-31-12-14-32(15-13-31)34-18-24-38(25-19-34)46(37-8-4-3-5-9-37)39-26-20-35(21-27-39)33-16-22-36(23-17-33)45(2)40-28-29-44-42(30-40)41-10-6-7-11-43(41)47-44/h3-30H,1-2H3
InChIKeyCBHLQKKWYQUIKW-UHFFFAOYSA-N
XLogP12.93
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500622.84
LogP ≤ 512.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze N-methyl-N-[4-[4-(N-[4-(4-methylphenyl)phenyl]anilino)phenyl]phenyl]dibenzothiophen-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-dibenzothiophen-2-yl-N-(4-phenylphenyl)dibenzothiophen-2-amine
CID 90350979
2-N,8-N-bis(3,4-dimethylphenyl)-2-N-methyl-8-N-[4-(4-methylphenyl)phenyl]dibenzothiophene-2,8-diamine
CID 23593407
N,8-di(dibenzothiophen-2-yl)-N-(4-phenylphenyl)dibenzothiophen-2-amine
CID 139552059
4-[3,5-di(dibenzothiophen-2-yl)phenyl]-N,N-diphenylaniline
CID 121383193
7-N-dibenzothiophen-2-yl-2-N-(4-methylphenyl)-2-N,7-N,9-triphenyldibenzothiophene-2,7-diamine
CID 164707306
N,N-bis(4-dibenzothiophen-2-ylphenyl)-4-(4-phenylphenyl)aniline
CID 90350992
N-[4-[3,5-di(dibenzothiophen-2-yl)phenyl]phenyl]-N,4-diphenylaniline
CID 121383196
N,N-bis(4-phenylphenyl)dibenzothiophen-2-amine;4-phenyl-N,N-bis[4-(3-phenylphenyl)phenyl]aniline
CID 157402984
3-N,3-N-di(dibenzothiophen-2-yl)-1-N,5-N-bis(3-methylphenyl)-1-N,5-N-diphenylbenzene-1,3,5-triamine
CID 118605072
8-dibenzothiophen-3-yl-N-phenyl-N-(4-phenylphenyl)dibenzothiophen-2-amine
CID 90076252
1-N,3-N-di(dibenzothiophen-2-yl)-1-N,3-N-bis(3-methylphenyl)-5-N,5-N-diphenylbenzene-1,3,5-triamine
CID 118605031
2-N,8-N-bis(3,4-dimethylphenyl)-2-N-methyl-8-N-[4-(4-methylphenyl)phenyl]dibenzothiophene-2,8-diamine;ethane;2-N-methyl-2-N,8-N-bis(3-methylphenyl)-8-N-[4-(4-methylphenyl)phenyl]dibenzofuran-2,8-diamine;2-N-methyl-2-N,8-N-bis(4-methylphenyl)-8-N-[4-(4-methylphenyl)phenyl]dibenzothiophene-2,8-diamine;2-N-methyl-8-N-[4-(4-methylphenyl)phenyl]-2-N,8-N-diphenyldibenzothiophene-2,8-diamine
CID 158388739

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[4-[4-(N-[4-(4-methylphenyl)phenyl]anilino)phenyl]phenyl]dibenzothiophen-2-amine?
The IUPAC name of N-methyl-N-[4-[4-(N-[4-(4-methylphenyl)phenyl]anilino)phenyl]phenyl]dibenzothiophen-2-amine (CID 23593343) is N-methyl-N-[4-[4-(N-[4-(4-methylphenyl)phenyl]anilino)phenyl]phenyl]dibenzothiophen-2-amine.
What is the SMILES notation for N-methyl-N-[4-[4-(N-[4-(4-methylphenyl)phenyl]anilino)phenyl]phenyl]dibenzothiophen-2-amine?
The canonical SMILES for N-methyl-N-[4-[4-(N-[4-(4-methylphenyl)phenyl]anilino)phenyl]phenyl]dibenzothiophen-2-amine is Cc1ccc(-c2ccc(N(c3ccccc3)c3ccc(-c4ccc(N(C)c5ccc6sc7ccccc7c6c5)cc4)cc3)cc2)cc1.
What is the InChIKey of N-methyl-N-[4-[4-(N-[4-(4-methylphenyl)phenyl]anilino)phenyl]phenyl]dibenzothiophen-2-amine?
The InChIKey is CBHLQKKWYQUIKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H34N2S/c1-31-12-14-32(15-13-31)34-18-24-38(25-19-34)46(37-8-4-3-5-9-37)39-26-20-35(21-27-39)33-16-22-36(23-17-33)45(2)40-28-29-44-42(30-40)41-10-6-7-11-43(41)47-44/h3-30H,1-2H3.
What are the key properties of N-methyl-N-[4-[4-(N-[4-(4-methylphenyl)phenyl]anilino)phenyl]phenyl]dibenzothiophen-2-amine?
N-methyl-N-[4-[4-(N-[4-(4-methylphenyl)phenyl]anilino)phenyl]phenyl]dibenzothiophen-2-amine has a molecular weight of 622.84 g/mol, XLogP of 12.93, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[4-[4-(N-[4-(4-methylphenyl)phenyl]anilino)phenyl]phenyl]dibenzothiophen-2-amine is sourced from PubChem (CID 23593343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).