N-(4-dibenzothiophen-2-ylphenyl)-1-phenyl-N-[4-(3-phenylphenyl)phenyl]dibenzothiophen-4-amine

C54H35NS2 — CID 171435369

IUPACN-(4-dibenzothiophen-2-ylphenyl)-1-phenyl-N-[4-(3-phenylphenyl)phenyl]dibenzothiophen-4-amine
SMILESc1ccc(-c2cccc(-c3ccc(N(c4ccc(-c5ccc6sc7ccccc7c6c5)cc4)c4ccc(-c5ccccc5)c5c4sc4ccccc45)cc3)c2)cc1
InChIInChI=1S/C54H35NS2/c1-3-12-36(13-4-1)40-16-11-17-41(34-40)37-22-27-43(28-23-37)55(44-29-24-38(25-30-44)42-26-33-52-48(35-42)46-18-7-9-20-50(46)56-52)49-32-31-45(39-14-5-2-6-15-39)53-47-19-8-10-21-51(47)57-54(49)53/h1-35H
InChIKeyKCMDPZYDABOJLR-UHFFFAOYSA-N
MW762.02 g/mol
LogP16.56
Rot. Bonds7

About N-(4-dibenzothiophen-2-ylphenyl)-1-phenyl-N-[4-(3-phenylphenyl)phenyl]dibenzothiophen-4-amine

N-(4-dibenzothiophen-2-ylphenyl)-1-phenyl-N-[4-(3-phenylphenyl)phenyl]dibenzothiophen-4-amine (PubChem CID 171435369) has the molecular formula C54H35NS2 and a molecular weight of 762.02 g/mol. Its IUPAC name is N-(4-dibenzothiophen-2-ylphenyl)-1-phenyl-N-[4-(3-phenylphenyl)phenyl]dibenzothiophen-4-amine.

Molecular Properties

Compound NameN-(4-dibenzothiophen-2-ylphenyl)-1-phenyl-N-[4-(3-phenylphenyl)phenyl]dibenzothiophen-4-amine
PubChem CID171435369
Molecular FormulaC54H35NS2
Molecular Weight762.02 g/mol
Exact Mass761.22
IUPAC NameN-(4-dibenzothiophen-2-ylphenyl)-1-phenyl-N-[4-(3-phenylphenyl)phenyl]dibenzothiophen-4-amine
SMILESc1ccc(-c2cccc(-c3ccc(N(c4ccc(-c5ccc6sc7ccccc7c6c5)cc4)c4ccc(-c5ccccc5)c5c4sc4ccccc45)cc3)c2)cc1
InChIInChI=1S/C54H35NS2/c1-3-12-36(13-4-1)40-16-11-17-41(34-40)37-22-27-43(28-23-37)55(44-29-24-38(25-30-44)42-26-33-52-48(35-42)46-18-7-9-20-50(46)56-52)49-32-31-45(39-14-5-2-6-15-39)53-47-19-8-10-21-51(47)57-54(49)53/h1-35H
InChIKeyKCMDPZYDABOJLR-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

N-dibenzothiophen-2-yl-N,1-diphenyldibenzothiophen-4-amine
CID 171435230
N-(4-dibenzothiophen-3-ylphenyl)-1-phenyl-N-(3-phenylphenyl)dibenzothiophen-4-amine
CID 171434495
N-(4-dibenzothiophen-3-ylphenyl)-N-(4-naphthalen-2-ylphenyl)-1-phenyldibenzothiophen-4-amine
CID 171434505
N-(4-naphthalen-2-ylphenyl)-1-phenyl-N-[3-(3-phenylphenyl)phenyl]dibenzothiophen-4-amine
CID 175615775
N-(4-dibenzofuran-1-ylphenyl)-1-phenyl-N-[4-(3-phenylphenyl)phenyl]dibenzothiophen-4-amine
CID 171435301
N-(4-dibenzothiophen-4-ylphenyl)-N-(4-naphthalen-2-ylphenyl)-1-phenyldibenzothiophen-4-amine
CID 171434428
N-(4-dibenzothiophen-2-ylphenyl)-3-phenyl-N-[4-(3-phenylphenyl)phenyl]dibenzothiophen-4-amine
CID 171435440
N-(4-dibenzothiophen-2-ylphenyl)-6-phenyl-N-(4-phenylphenyl)dibenzothiophen-4-amine
CID 167397750
N-[4-(3-dibenzothiophen-2-ylphenyl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 118640902
N-[4-(3-dibenzothiophen-2-ylphenyl)phenyl]-4-phenyl-N-[4-(3-phenylphenyl)phenyl]aniline
CID 121261318
N-(4-dibenzothiophen-1-ylphenyl)-1-phenyl-N-(2-phenylphenyl)dibenzothiophen-4-amine
CID 171434825
N-dibenzothiophen-2-yl-N-[4-(3,5-diphenylphenyl)phenyl]dibenzothiophen-4-amine;N-dibenzothiophen-4-yl-N-[4-(3,5-diphenylphenyl)phenyl]dibenzothiophen-4-amine
CID 160550206

Frequently Asked Questions

What is the IUPAC name of N-(4-dibenzothiophen-2-ylphenyl)-1-phenyl-N-[4-(3-phenylphenyl)phenyl]dibenzothiophen-4-amine?
The IUPAC name of N-(4-dibenzothiophen-2-ylphenyl)-1-phenyl-N-[4-(3-phenylphenyl)phenyl]dibenzothiophen-4-amine (CID 171435369) is N-(4-dibenzothiophen-2-ylphenyl)-1-phenyl-N-[4-(3-phenylphenyl)phenyl]dibenzothiophen-4-amine.
What is the SMILES notation for N-(4-dibenzothiophen-2-ylphenyl)-1-phenyl-N-[4-(3-phenylphenyl)phenyl]dibenzothiophen-4-amine?
The canonical SMILES for N-(4-dibenzothiophen-2-ylphenyl)-1-phenyl-N-[4-(3-phenylphenyl)phenyl]dibenzothiophen-4-amine is c1ccc(-c2cccc(-c3ccc(N(c4ccc(-c5ccc6sc7ccccc7c6c5)cc4)c4ccc(-c5ccccc5)c5c4sc4ccccc45)cc3)c2)cc1.
What is the InChIKey of N-(4-dibenzothiophen-2-ylphenyl)-1-phenyl-N-[4-(3-phenylphenyl)phenyl]dibenzothiophen-4-amine?
The InChIKey is KCMDPZYDABOJLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H35NS2/c1-3-12-36(13-4-1)40-16-11-17-41(34-40)37-22-27-43(28-23-37)55(44-29-24-38(25-30-44)42-26-33-52-48(35-42)46-18-7-9-20-50(46)56-52)49-32-31-45(39-14-5-2-6-15-39)53-47-19-8-10-21-51(47)57-54(49)53/h1-35H.
What are the key properties of N-(4-dibenzothiophen-2-ylphenyl)-1-phenyl-N-[4-(3-phenylphenyl)phenyl]dibenzothiophen-4-amine?
N-(4-dibenzothiophen-2-ylphenyl)-1-phenyl-N-[4-(3-phenylphenyl)phenyl]dibenzothiophen-4-amine 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-(4-dibenzothiophen-2-ylphenyl)-1-phenyl-N-[4-(3-phenylphenyl)phenyl]dibenzothiophen-4-amine is sourced from PubChem (CID 171435369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).