N-[4-(6-dibenzothiophen-4-yl-2-pyridinyl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline

C47H32N2S — CID 121261358

IUPACN-[4-(6-dibenzothiophen-4-yl-2-pyridinyl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
SMILESc1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4cccc(-c5cccc6c5sc5ccccc56)n4)cc3)cc2)cc1
InChIInChI=1S/C47H32N2S/c1-3-11-33(12-4-1)35-21-27-38(28-22-35)49(39-29-23-36(24-30-39)34-13-5-2-6-14-34)40-31-25-37(26-32-40)44-18-10-19-45(48-44)43-17-9-16-42-41-15-7-8-20-46(41)50-47(42)43/h1-32H
InChIKeyWPSWSVNUGXIDFH-UHFFFAOYSA-N
MW656.85 g/mol
LogP13.59
Rot. Bonds7

About N-[4-(6-dibenzothiophen-4-yl-2-pyridinyl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline

N-[4-(6-dibenzothiophen-4-yl-2-pyridinyl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline (PubChem CID 121261358) has the molecular formula C47H32N2S and a molecular weight of 656.85 g/mol. Its IUPAC name is N-[4-(6-dibenzothiophen-4-yl-2-pyridinyl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline.

Molecular Properties

Compound NameN-[4-(6-dibenzothiophen-4-yl-2-pyridinyl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
PubChem CID121261358
Molecular FormulaC47H32N2S
Molecular Weight656.85 g/mol
Exact Mass656.23
IUPAC NameN-[4-(6-dibenzothiophen-4-yl-2-pyridinyl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
SMILESc1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4cccc(-c5cccc6c5sc5ccccc56)n4)cc3)cc2)cc1
InChIInChI=1S/C47H32N2S/c1-3-11-33(12-4-1)35-21-27-38(28-22-35)49(39-29-23-36(24-30-39)34-13-5-2-6-14-34)40-31-25-37(26-32-40)44-18-10-19-45(48-44)43-17-9-16-42-41-15-7-8-20-46(41)50-47(42)43/h1-32H
InChIKeyWPSWSVNUGXIDFH-UHFFFAOYSA-N
XLogP13.59
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500656.85
LogP ≤ 513.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N,N-bis(4-dibenzothiophen-4-ylphenyl)-4-(4-phenylphenyl)aniline
CID 90263900
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-(3-dibenzothiophen-4-ylphenyl)phenyl]-4-phenyl-N-[4-(3-phenylphenyl)phenyl]aniline
CID 121261291
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-[3,5-di(dibenzothiophen-4-yl)phenyl]phenyl]-N,4-diphenylaniline
CID 121383274
N-[4-(3-dibenzothiophen-4-ylphenyl)phenyl]-4-phenyl-N-[4-(2-phenylphenyl)phenyl]aniline
CID 121261293
4-dibenzothiophen-4-yl-3-phenyl-N,N-bis[4-(4-phenylphenyl)phenyl]aniline
CID 129129842

Frequently Asked Questions

What is the IUPAC name of N-[4-(6-dibenzothiophen-4-yl-2-pyridinyl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline?
The IUPAC name of N-[4-(6-dibenzothiophen-4-yl-2-pyridinyl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline (CID 121261358) is N-[4-(6-dibenzothiophen-4-yl-2-pyridinyl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline.
What is the SMILES notation for N-[4-(6-dibenzothiophen-4-yl-2-pyridinyl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline?
The canonical SMILES for N-[4-(6-dibenzothiophen-4-yl-2-pyridinyl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline is c1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4cccc(-c5cccc6c5sc5ccccc56)n4)cc3)cc2)cc1.
What is the InChIKey of N-[4-(6-dibenzothiophen-4-yl-2-pyridinyl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline?
The InChIKey is WPSWSVNUGXIDFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H32N2S/c1-3-11-33(12-4-1)35-21-27-38(28-22-35)49(39-29-23-36(24-30-39)34-13-5-2-6-14-34)40-31-25-37(26-32-40)44-18-10-19-45(48-44)43-17-9-16-42-41-15-7-8-20-46(41)50-47(42)43/h1-32H.
What are the key properties of N-[4-(6-dibenzothiophen-4-yl-2-pyridinyl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline?
N-[4-(6-dibenzothiophen-4-yl-2-pyridinyl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline has a molecular weight of 656.85 g/mol, XLogP of 13.59, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(6-dibenzothiophen-4-yl-2-pyridinyl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline is sourced from PubChem (CID 121261358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).