N,4-diphenyl-N-[4-(2-phenyldibenzothiophen-4-yl)phenyl]aniline

C42H29NS — CID 140919502

IUPACN,4-diphenyl-N-[4-(2-phenyldibenzothiophen-4-yl)phenyl]aniline
SMILESc1ccc(-c2ccc(N(c3ccccc3)c3ccc(-c4cc(-c5ccccc5)cc5c4sc4ccccc45)cc3)cc2)cc1
InChIInChI=1S/C42H29NS/c1-4-12-30(13-5-1)32-20-24-36(25-21-32)43(35-16-8-3-9-17-35)37-26-22-33(23-27-37)39-28-34(31-14-6-2-7-15-31)29-40-38-18-10-11-19-41(38)44-42(39)40/h1-29H
InChIKeyAZFQRLNUNYKDKR-UHFFFAOYSA-N
MW579.77 g/mol
LogP12.53
Rot. Bonds6

About N,4-diphenyl-N-[4-(2-phenyldibenzothiophen-4-yl)phenyl]aniline

N,4-diphenyl-N-[4-(2-phenyldibenzothiophen-4-yl)phenyl]aniline (PubChem CID 140919502) has the molecular formula C42H29NS and a molecular weight of 579.77 g/mol. Its IUPAC name is N,4-diphenyl-N-[4-(2-phenyldibenzothiophen-4-yl)phenyl]aniline.

Molecular Properties

Compound NameN,4-diphenyl-N-[4-(2-phenyldibenzothiophen-4-yl)phenyl]aniline
PubChem CID140919502
Molecular FormulaC42H29NS
Molecular Weight579.77 g/mol
Exact Mass579.20
IUPAC NameN,4-diphenyl-N-[4-(2-phenyldibenzothiophen-4-yl)phenyl]aniline
SMILESc1ccc(-c2ccc(N(c3ccccc3)c3ccc(-c4cc(-c5ccccc5)cc5c4sc4ccccc45)cc3)cc2)cc1
InChIInChI=1S/C42H29NS/c1-4-12-30(13-5-1)32-20-24-36(25-21-32)43(35-16-8-3-9-17-35)37-26-22-33(23-27-37)39-28-34(31-14-6-2-7-15-31)29-40-38-18-10-11-19-41(38)44-42(39)40/h1-29H
InChIKeyAZFQRLNUNYKDKR-UHFFFAOYSA-N
XLogP12.53
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500579.77
LogP ≤ 512.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N,4-diphenyl-N-[4-[4-(4-phenylphenyl)dibenzothiophen-2-yl]phenyl]aniline
CID 140919485
N,4-diphenyl-N-[4-[2-(9,9'-spirobi[fluorene]-2-yl)dibenzothiophen-4-yl]phenyl]aniline;4-phenyl-N-(4-phenylphenyl)-N-[4-[2-(9,9'-spirobi[fluorene]-2-yl)dibenzothiophen-4-yl]phenyl]aniline
CID 159227024
3-N-(4-dibenzothiophen-4-ylphenyl)-1-N,1-N-diphenyl-3-N-[4-(4-phenylphenyl)phenyl]benzene-1,3-diamine
CID 146579378
N-[4-[3,5-di(dibenzothiophen-4-yl)phenyl]phenyl]-N,4-diphenylaniline
CID 121383274
4-(4-dibenzothiophen-4-ylphenyl)-N-[4-[4-(N-[4-(4-dibenzothiophen-4-ylphenyl)phenyl]anilino)phenyl]phenyl]-N-phenylaniline
CID 59022057
4-dibenzothiophen-4-yl-N,N-bis(4-dibenzothiophen-4-ylphenyl)aniline;4-[4-[N-(4-dibenzothiophen-4-ylphenyl)-4-[4-[N-(4-dibenzothiophen-4-ylphenyl)-4-[4-(N-phenylanilino)phenyl]anilino]phenyl]anilino]phenyl]-N,N-diphenylaniline
CID 158485457
N,N-bis(4-dibenzothiophen-4-ylphenyl)-4-(4-phenylphenyl)aniline
CID 90263900
2-N,4-N-diphenyl-2-N,4-N-bis(4-phenylphenyl)dibenzothiophene-2,4-diamine
CID 121327989
N-(4-dibenzothiophen-4-ylphenyl)-4-phenyl-N-[4-(3-phenylphenyl)phenyl]aniline
CID 118405906
4-dibenzothiophen-2-yl-N-(4-dibenzothiophen-4-ylphenyl)-N-phenylaniline
CID 90351007
N-(4-dibenzothiophen-4-ylphenyl)-N-[4-(3,4-diphenylphenyl)phenyl]-4-phenylaniline
CID 164831578
N-[4-(4-naphthalen-2-yldibenzothiophen-2-yl)phenyl]-2-phenyl-N-(4-phenylphenyl)aniline
CID 140919378

Frequently Asked Questions

What is the IUPAC name of N,4-diphenyl-N-[4-(2-phenyldibenzothiophen-4-yl)phenyl]aniline?
The IUPAC name of N,4-diphenyl-N-[4-(2-phenyldibenzothiophen-4-yl)phenyl]aniline (CID 140919502) is N,4-diphenyl-N-[4-(2-phenyldibenzothiophen-4-yl)phenyl]aniline.
What is the SMILES notation for N,4-diphenyl-N-[4-(2-phenyldibenzothiophen-4-yl)phenyl]aniline?
The canonical SMILES for N,4-diphenyl-N-[4-(2-phenyldibenzothiophen-4-yl)phenyl]aniline is c1ccc(-c2ccc(N(c3ccccc3)c3ccc(-c4cc(-c5ccccc5)cc5c4sc4ccccc45)cc3)cc2)cc1.
What is the InChIKey of N,4-diphenyl-N-[4-(2-phenyldibenzothiophen-4-yl)phenyl]aniline?
The InChIKey is AZFQRLNUNYKDKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H29NS/c1-4-12-30(13-5-1)32-20-24-36(25-21-32)43(35-16-8-3-9-17-35)37-26-22-33(23-27-37)39-28-34(31-14-6-2-7-15-31)29-40-38-18-10-11-19-41(38)44-42(39)40/h1-29H.
What are the key properties of N,4-diphenyl-N-[4-(2-phenyldibenzothiophen-4-yl)phenyl]aniline?
N,4-diphenyl-N-[4-(2-phenyldibenzothiophen-4-yl)phenyl]aniline has a molecular weight of 579.77 g/mol, XLogP of 12.53, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,4-diphenyl-N-[4-(2-phenyldibenzothiophen-4-yl)phenyl]aniline is sourced from PubChem (CID 140919502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).