N,N-bis(4-dibenzothiophen-4-ylphenyl)-4-(4-phenylphenyl)aniline

C54H35NS2 — CID 90263900

IUPACN,N-bis(4-dibenzothiophen-4-ylphenyl)-4-(4-phenylphenyl)aniline
SMILESc1ccc(-c2ccc(-c3ccc(N(c4ccc(-c5cccc6c5sc5ccccc56)cc4)c4ccc(-c5cccc6c5sc5ccccc56)cc4)cc3)cc2)cc1
InChIInChI=1S/C54H35NS2/c1-2-10-36(11-3-1)37-20-22-38(23-21-37)39-24-30-42(31-25-39)55(43-32-26-40(27-33-43)45-14-8-16-49-47-12-4-6-18-51(47)56-53(45)49)44-34-28-41(29-35-44)46-15-9-17-50-48-13-5-7-19-52(48)57-54(46)50/h1-35H
InChIKeyITLRTCQKZXYKRG-UHFFFAOYSA-N
MW762.02 g/mol
LogP16.56
Rot. Bonds7

About N,N-bis(4-dibenzothiophen-4-ylphenyl)-4-(4-phenylphenyl)aniline

N,N-bis(4-dibenzothiophen-4-ylphenyl)-4-(4-phenylphenyl)aniline (PubChem CID 90263900) has the molecular formula C54H35NS2 and a molecular weight of 762.02 g/mol. Its IUPAC name is N,N-bis(4-dibenzothiophen-4-ylphenyl)-4-(4-phenylphenyl)aniline.

Molecular Properties

Compound NameN,N-bis(4-dibenzothiophen-4-ylphenyl)-4-(4-phenylphenyl)aniline
PubChem CID90263900
Molecular FormulaC54H35NS2
Molecular Weight762.02 g/mol
Exact Mass761.22
IUPAC NameN,N-bis(4-dibenzothiophen-4-ylphenyl)-4-(4-phenylphenyl)aniline
SMILESc1ccc(-c2ccc(-c3ccc(N(c4ccc(-c5cccc6c5sc5ccccc56)cc4)c4ccc(-c5cccc6c5sc5ccccc56)cc4)cc3)cc2)cc1
InChIInChI=1S/C54H35NS2/c1-2-10-36(11-3-1)37-20-22-38(23-21-37)39-24-30-42(31-25-39)55(43-32-26-40(27-33-43)45-14-8-16-49-47-12-4-6-18-51(47)56-53(45)49)44-34-28-41(29-35-44)46-15-9-17-50-48-13-5-7-19-52(48)57-54(46)50/h1-35H
InChIKeyITLRTCQKZXYKRG-UHFFFAOYSA-N
XLogP16.56
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500762.02
LogP ≤ 516.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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-(2-phenylphenyl)aniline
CID 147438936
4-(4-dibenzothiophen-4-ylphenyl)-N-[4-[4-(N-[4-(4-dibenzothiophen-4-ylphenyl)phenyl]anilino)phenyl]phenyl]-N-phenylaniline
CID 59022057
N-(4-dibenzothiophen-4-ylphenyl)-4-phenyl-N-[4-(3-phenylphenyl)phenyl]aniline
CID 118405906
4-dibenzothiophen-4-yl-N-(4-dibenzothiophen-4-ylphenyl)-N-phenylaniline
CID 59022081
4-dibenzothiophen-4-yl-N,N-bis(4-dibenzothiophen-4-ylphenyl)aniline
CID 59022060
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-dibenzothiophen-4-ylphenyl)phenyl]-4-phenyl-N-[4-(2-phenylphenyl)phenyl]aniline
CID 121261293
N-[4-(3-dibenzothiophen-4-ylphenyl)phenyl]-4-phenyl-N-[4-(3-phenylphenyl)phenyl]aniline
CID 121261291
N-(4-dibenzothiophen-4-ylphenyl)-N-[4-(3,4-diphenylphenyl)phenyl]-4-phenylaniline
CID 164831578
N-(4-dibenzothiophen-4-ylphenyl)-N-[4-(4-phenylphenyl)phenyl]tetraphenylen-2-amine
CID 139297752
N-[4-[3,5-di(dibenzothiophen-4-yl)phenyl]phenyl]-N,4-diphenylaniline
CID 121383274

Frequently Asked Questions

What is the IUPAC name of N,N-bis(4-dibenzothiophen-4-ylphenyl)-4-(4-phenylphenyl)aniline?
The IUPAC name of N,N-bis(4-dibenzothiophen-4-ylphenyl)-4-(4-phenylphenyl)aniline (CID 90263900) is N,N-bis(4-dibenzothiophen-4-ylphenyl)-4-(4-phenylphenyl)aniline.
What is the SMILES notation for N,N-bis(4-dibenzothiophen-4-ylphenyl)-4-(4-phenylphenyl)aniline?
The canonical SMILES for N,N-bis(4-dibenzothiophen-4-ylphenyl)-4-(4-phenylphenyl)aniline is c1ccc(-c2ccc(-c3ccc(N(c4ccc(-c5cccc6c5sc5ccccc56)cc4)c4ccc(-c5cccc6c5sc5ccccc56)cc4)cc3)cc2)cc1.
What is the InChIKey of N,N-bis(4-dibenzothiophen-4-ylphenyl)-4-(4-phenylphenyl)aniline?
The InChIKey is ITLRTCQKZXYKRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H35NS2/c1-2-10-36(11-3-1)37-20-22-38(23-21-37)39-24-30-42(31-25-39)55(43-32-26-40(27-33-43)45-14-8-16-49-47-12-4-6-18-51(47)56-53(45)49)44-34-28-41(29-35-44)46-15-9-17-50-48-13-5-7-19-52(48)57-54(46)50/h1-35H.
What are the key properties of N,N-bis(4-dibenzothiophen-4-ylphenyl)-4-(4-phenylphenyl)aniline?
N,N-bis(4-dibenzothiophen-4-ylphenyl)-4-(4-phenylphenyl)aniline has a molecular weight of 762.02 g/mol, XLogP of 16.56, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis(4-dibenzothiophen-4-ylphenyl)-4-(4-phenylphenyl)aniline is sourced from PubChem (CID 90263900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).