N-[4-(3-dibenzothiophen-4-ylphenyl)phenyl]-4-methyl-N-(4-phenylphenyl)aniline

C43H31NS — CID 121261297

IUPACN-[4-(3-dibenzothiophen-4-ylphenyl)phenyl]-4-methyl-N-(4-phenylphenyl)aniline
SMILESCc1ccc(N(c2ccc(-c3ccccc3)cc2)c2ccc(-c3cccc(-c4cccc5c4sc4ccccc45)c3)cc2)cc1
InChIInChI=1S/C43H31NS/c1-30-17-23-36(24-18-30)44(37-25-19-32(20-26-37)31-9-3-2-4-10-31)38-27-21-33(22-28-38)34-11-7-12-35(29-34)39-14-8-15-41-40-13-5-6-16-42(40)45-43(39)41/h2-29H,1H3
InChIKeyFHTUTJHSSUILEZ-UHFFFAOYSA-N
MW593.80 g/mol
LogP12.83
Rot. Bonds6

About N-[4-(3-dibenzothiophen-4-ylphenyl)phenyl]-4-methyl-N-(4-phenylphenyl)aniline

N-[4-(3-dibenzothiophen-4-ylphenyl)phenyl]-4-methyl-N-(4-phenylphenyl)aniline (PubChem CID 121261297) has the molecular formula C43H31NS and a molecular weight of 593.80 g/mol. Its IUPAC name is N-[4-(3-dibenzothiophen-4-ylphenyl)phenyl]-4-methyl-N-(4-phenylphenyl)aniline.

Molecular Properties

Compound NameN-[4-(3-dibenzothiophen-4-ylphenyl)phenyl]-4-methyl-N-(4-phenylphenyl)aniline
PubChem CID121261297
Molecular FormulaC43H31NS
Molecular Weight593.80 g/mol
Exact Mass593.22
IUPAC NameN-[4-(3-dibenzothiophen-4-ylphenyl)phenyl]-4-methyl-N-(4-phenylphenyl)aniline
SMILESCc1ccc(N(c2ccc(-c3ccccc3)cc2)c2ccc(-c3cccc(-c4cccc5c4sc4ccccc45)c3)cc2)cc1
InChIInChI=1S/C43H31NS/c1-30-17-23-36(24-18-30)44(37-25-19-32(20-26-37)31-9-3-2-4-10-31)38-27-21-33(22-28-38)34-11-7-12-35(29-34)39-14-8-15-41-40-13-5-6-16-42(40)45-43(39)41/h2-29H,1H3
InChIKeyFHTUTJHSSUILEZ-UHFFFAOYSA-N
XLogP12.83
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500593.80
LogP ≤ 512.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-[4-(3-dibenzothiophen-4-ylphenyl)phenyl]-4-phenyl-N-[4-(3-phenylphenyl)phenyl]aniline
CID 121261291
N-[4-(3-dibenzothiophen-4-ylphenyl)phenyl]-4-phenyl-N-[4-(2-phenylphenyl)phenyl]aniline
CID 121261293
N-(4-dibenzothiophen-4-ylphenyl)-4-phenyl-N-[4-(3-phenylphenyl)phenyl]aniline
CID 118405906
N-(4-dibenzothiophen-4-ylphenyl)-N-[4-[4-(N-(4-dibenzothiophen-4-ylphenyl)-4-methylanilino)phenyl]phenyl]-4-methylaniline
CID 59022100
4-[4-[8-(3-dibenzothiophen-4-ylphenyl)dibenzothiophen-2-yl]phenyl]-N,N-diphenylaniline
CID 90076337
N-[4-[3,5-di(dibenzothiophen-4-yl)phenyl]phenyl]-N,4-diphenylaniline
CID 121383274
N,N-bis(4-dibenzothiophen-4-ylphenyl)-4-(4-phenylphenyl)aniline
CID 90263900
N-(4-dibenzothiophen-4-ylphenyl)-4-[4-methyl-3-(2-methylphenyl)phenyl]-N-[4-(3-phenylphenyl)phenyl]aniline
CID 144579175
N-[4-(3-dibenzothiophen-1-ylphenyl)phenyl]-N-[4-(4-methylphenyl)phenyl]-4-phenylaniline
CID 121261361
N-(4-dibenzothiophen-4-ylphenyl)-N-[4-[4-methyl-3-(2-methylphenyl)phenyl]phenyl]-4-phenylaniline;toluene
CID 144660342
N-(4-dibenzothiophen-4-ylphenyl)-N-[4-(3,4-diphenylphenyl)phenyl]-4-phenylaniline
CID 164831578
3-N-(4-dibenzothiophen-4-ylphenyl)-1-N,1-N-diphenyl-3-N-[4-(4-phenylphenyl)phenyl]benzene-1,3-diamine
CID 146579378

Frequently Asked Questions

What is the IUPAC name of N-[4-(3-dibenzothiophen-4-ylphenyl)phenyl]-4-methyl-N-(4-phenylphenyl)aniline?
The IUPAC name of N-[4-(3-dibenzothiophen-4-ylphenyl)phenyl]-4-methyl-N-(4-phenylphenyl)aniline (CID 121261297) is N-[4-(3-dibenzothiophen-4-ylphenyl)phenyl]-4-methyl-N-(4-phenylphenyl)aniline.
What is the SMILES notation for N-[4-(3-dibenzothiophen-4-ylphenyl)phenyl]-4-methyl-N-(4-phenylphenyl)aniline?
The canonical SMILES for N-[4-(3-dibenzothiophen-4-ylphenyl)phenyl]-4-methyl-N-(4-phenylphenyl)aniline is Cc1ccc(N(c2ccc(-c3ccccc3)cc2)c2ccc(-c3cccc(-c4cccc5c4sc4ccccc45)c3)cc2)cc1.
What is the InChIKey of N-[4-(3-dibenzothiophen-4-ylphenyl)phenyl]-4-methyl-N-(4-phenylphenyl)aniline?
The InChIKey is FHTUTJHSSUILEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H31NS/c1-30-17-23-36(24-18-30)44(37-25-19-32(20-26-37)31-9-3-2-4-10-31)38-27-21-33(22-28-38)34-11-7-12-35(29-34)39-14-8-15-41-40-13-5-6-16-42(40)45-43(39)41/h2-29H,1H3.
What are the key properties of N-[4-(3-dibenzothiophen-4-ylphenyl)phenyl]-4-methyl-N-(4-phenylphenyl)aniline?
N-[4-(3-dibenzothiophen-4-ylphenyl)phenyl]-4-methyl-N-(4-phenylphenyl)aniline has a molecular weight of 593.80 g/mol, XLogP of 12.83, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3-dibenzothiophen-4-ylphenyl)phenyl]-4-methyl-N-(4-phenylphenyl)aniline is sourced from PubChem (CID 121261297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).