N,4-diphenyl-N-[4-(7-phenyldibenzothiophen-3-yl)phenyl]aniline

C42H29NS — CID 118186820

IUPACN,4-diphenyl-N-[4-(7-phenyldibenzothiophen-3-yl)phenyl]aniline
SMILESc1ccc(-c2ccc(N(c3ccccc3)c3ccc(-c4ccc5c(c4)sc4cc(-c6ccccc6)ccc45)cc3)cc2)cc1
InChIInChI=1S/C42H29NS/c1-4-10-30(11-5-1)32-16-22-37(23-17-32)43(36-14-8-3-9-15-36)38-24-18-33(19-25-38)35-21-27-40-39-26-20-34(31-12-6-2-7-13-31)28-41(39)44-42(40)29-35/h1-29H
InChIKeyCYRBEEXLIGLILE-UHFFFAOYSA-N
MW579.77 g/mol
LogP12.53
Rot. Bonds6

About N,4-diphenyl-N-[4-(7-phenyldibenzothiophen-3-yl)phenyl]aniline

N,4-diphenyl-N-[4-(7-phenyldibenzothiophen-3-yl)phenyl]aniline (PubChem CID 118186820) has the molecular formula C42H29NS and a molecular weight of 579.77 g/mol. Its IUPAC name is N,4-diphenyl-N-[4-(7-phenyldibenzothiophen-3-yl)phenyl]aniline.

Molecular Properties

Compound NameN,4-diphenyl-N-[4-(7-phenyldibenzothiophen-3-yl)phenyl]aniline
PubChem CID118186820
Molecular FormulaC42H29NS
Molecular Weight579.77 g/mol
Exact Mass579.20
IUPAC NameN,4-diphenyl-N-[4-(7-phenyldibenzothiophen-3-yl)phenyl]aniline
SMILESc1ccc(-c2ccc(N(c3ccccc3)c3ccc(-c4ccc5c(c4)sc4cc(-c6ccccc6)ccc45)cc3)cc2)cc1
InChIInChI=1S/C42H29NS/c1-4-10-30(11-5-1)32-16-22-37(23-17-32)43(36-14-8-3-9-15-36)38-24-18-33(19-25-38)35-21-27-40-39-26-20-34(31-12-6-2-7-13-31)28-41(39)44-42(40)29-35/h1-29H
InChIKeyCYRBEEXLIGLILE-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-(3-dibenzothiophen-3-ylphenyl)phenyl]-N,4-diphenylaniline
CID 118186818
3-N,3-N,7-N,7-N-tetrakis(4-phenylphenyl)dibenzothiophene-3,7-diamine
CID 121327972
N-[4-(3-dibenzothiophen-3-ylphenyl)phenyl]-N-[4-(3,5-diphenylphenyl)phenyl]-4-phenylaniline
CID 121261338
8-dibenzothiophen-3-yl-N-phenyl-N-(4-phenylphenyl)dibenzothiophen-2-amine
CID 90076252
N-dibenzothiophen-3-yl-N-(4-phenylphenyl)dibenzothiophen-3-amine
CID 154031425
2-N,2-N-diphenyl-7-N-[4-[3-(N-phenylanilino)phenyl]phenyl]-7-N-(4-phenylphenyl)dibenzothiophene-2,7-diamine
CID 131979910
N-[4-(2-dibenzothiophen-3-ylphenyl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline;N-[4-(4-dibenzothiophen-3-ylphenyl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 159692895
N-(4-dibenzothiophen-3-ylphenyl)-N-(4-naphthalen-2-ylphenyl)-4-phenylaniline
CID 118640861
N-[4-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]phenyl]-N,4-diphenylaniline
CID 170096283
N-[4-([1]benzothiolo[3,2-c]pyridin-7-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 166860803
7-N-dibenzothiophen-3-yl-2-N,2-N-diphenyl-7-N-[4-[3-(N-phenylanilino)phenyl]phenyl]dibenzothiophene-2,7-diamine
CID 131979873
3-dibenzothiophen-3-yl-N-(4-naphthalen-2-ylphenyl)-N-(4-phenylphenyl)aniline
CID 168767536

Frequently Asked Questions

What is the IUPAC name of N,4-diphenyl-N-[4-(7-phenyldibenzothiophen-3-yl)phenyl]aniline?
The IUPAC name of N,4-diphenyl-N-[4-(7-phenyldibenzothiophen-3-yl)phenyl]aniline (CID 118186820) is N,4-diphenyl-N-[4-(7-phenyldibenzothiophen-3-yl)phenyl]aniline.
What is the SMILES notation for N,4-diphenyl-N-[4-(7-phenyldibenzothiophen-3-yl)phenyl]aniline?
The canonical SMILES for N,4-diphenyl-N-[4-(7-phenyldibenzothiophen-3-yl)phenyl]aniline is c1ccc(-c2ccc(N(c3ccccc3)c3ccc(-c4ccc5c(c4)sc4cc(-c6ccccc6)ccc45)cc3)cc2)cc1.
What is the InChIKey of N,4-diphenyl-N-[4-(7-phenyldibenzothiophen-3-yl)phenyl]aniline?
The InChIKey is CYRBEEXLIGLILE-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H29NS/c1-4-10-30(11-5-1)32-16-22-37(23-17-32)43(36-14-8-3-9-15-36)38-24-18-33(19-25-38)35-21-27-40-39-26-20-34(31-12-6-2-7-13-31)28-41(39)44-42(40)29-35/h1-29H.
What are the key properties of N,4-diphenyl-N-[4-(7-phenyldibenzothiophen-3-yl)phenyl]aniline?
N,4-diphenyl-N-[4-(7-phenyldibenzothiophen-3-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-(7-phenyldibenzothiophen-3-yl)phenyl]aniline is sourced from PubChem (CID 118186820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).