N-(4-dibenzothiophen-4-ylphenyl)-N-(4-naphthalen-2-ylphenyl)-1-phenyldibenzothiophen-4-amine

C52H33NS2 — CID 171434428

IUPACN-(4-dibenzothiophen-4-ylphenyl)-N-(4-naphthalen-2-ylphenyl)-1-phenyldibenzothiophen-4-amine
SMILESc1ccc(-c2ccc(N(c3ccc(-c4ccc5ccccc5c4)cc3)c3ccc(-c4cccc5c4sc4ccccc45)cc3)c3sc4ccccc4c23)cc1
InChIInChI=1S/C52H33NS2/c1-2-12-36(13-3-1)42-31-32-47(52-50(42)46-16-7-9-20-49(46)55-52)53(40-27-23-35(24-28-40)39-22-21-34-11-4-5-14-38(34)33-39)41-29-25-37(26-30-41)43-17-10-18-45-44-15-6-8-19-48(44)54-51(43)45/h1-33H
InChIKeyJYMCLQVPOIQDMJ-UHFFFAOYSA-N
MW735.98 g/mol
LogP16.05
Rot. Bonds6

About N-(4-dibenzothiophen-4-ylphenyl)-N-(4-naphthalen-2-ylphenyl)-1-phenyldibenzothiophen-4-amine

N-(4-dibenzothiophen-4-ylphenyl)-N-(4-naphthalen-2-ylphenyl)-1-phenyldibenzothiophen-4-amine (PubChem CID 171434428) has the molecular formula C52H33NS2 and a molecular weight of 735.98 g/mol. Its IUPAC name is N-(4-dibenzothiophen-4-ylphenyl)-N-(4-naphthalen-2-ylphenyl)-1-phenyldibenzothiophen-4-amine.

Molecular Properties

Compound NameN-(4-dibenzothiophen-4-ylphenyl)-N-(4-naphthalen-2-ylphenyl)-1-phenyldibenzothiophen-4-amine
PubChem CID171434428
Molecular FormulaC52H33NS2
Molecular Weight735.98 g/mol
Exact Mass735.21
IUPAC NameN-(4-dibenzothiophen-4-ylphenyl)-N-(4-naphthalen-2-ylphenyl)-1-phenyldibenzothiophen-4-amine
SMILESc1ccc(-c2ccc(N(c3ccc(-c4ccc5ccccc5c4)cc3)c3ccc(-c4cccc5c4sc4ccccc45)cc3)c3sc4ccccc4c23)cc1
InChIInChI=1S/C52H33NS2/c1-2-12-36(13-3-1)42-31-32-47(52-50(42)46-16-7-9-20-49(46)55-52)53(40-27-23-35(24-28-40)39-22-21-34-11-4-5-14-38(34)33-39)41-29-25-37(26-30-41)43-17-10-18-45-44-15-6-8-19-48(44)54-51(43)45/h1-33H
InChIKeyJYMCLQVPOIQDMJ-UHFFFAOYSA-N
XLogP16.05
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500735.98
LogP ≤ 516.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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
4-dibenzothiophen-4-yl-N-(4-dibenzothiophen-4-ylphenyl)-N-[4-(3-naphthalen-2-yl-5-phenylphenyl)phenyl]aniline
CID 70808692
N-(4-dibenzothiophen-4-ylphenyl)-N-(4-naphthalen-2-ylphenyl)-5-phenanthren-9-yl-2-phenylaniline
CID 167234194
2-dibenzothiophen-4-yl-N-[4-(3-naphthalen-2-ylphenyl)phenyl]-N-(4-phenylphenyl)aniline
CID 167325271
2,6-di(dibenzothiophen-4-yl)-N-(4-naphthalen-2-ylphenyl)-N-(4-phenylphenyl)aniline
CID 122646680
N-[4-(4-naphthalen-2-ylphenyl)phenyl]-N-[4-[2-(2-naphthalen-1-ylphenyl)phenyl]phenyl]-4-phenyldibenzothiophen-1-amine
CID 168848047
N,N-bis(4-dibenzothiophen-4-ylphenyl)-4-[4-(3,5-diphenylphenyl)phenyl]naphthalen-1-amine
CID 88988857
N-[4-(3-naphthalen-2-ylphenyl)phenyl]-N-[4-(4-phenylphenyl)phenyl]dibenzothiophen-4-amine
CID 166566107
N-(4-naphthalen-1-ylphenyl)-N-phenanthren-9-yl-1-phenyldibenzothiophen-4-amine;N-(4-naphthalen-1-ylphenyl)-N-phenanthren-9-yl-8-phenyldibenzothiophen-4-amine;N-(4-naphthalen-2-ylphenyl)-N-phenanthren-9-yl-1-phenyldibenzothiophen-4-amine;N-(4-naphthalen-2-ylphenyl)-N-phenanthren-9-yl-2-phenyldibenzothiophen-4-amine
CID 163452638
N-(4-naphthalen-1-ylphenyl)-N-[4-(7-phenylnaphthalen-2-yl)phenyl]dibenzothiophen-4-amine
CID 154605620
N-(4-dibenzothiophen-2-ylphenyl)-1-phenyl-N-[4-(3-phenylphenyl)phenyl]dibenzothiophen-4-amine
CID 171435369

Frequently Asked Questions

What is the IUPAC name of N-(4-dibenzothiophen-4-ylphenyl)-N-(4-naphthalen-2-ylphenyl)-1-phenyldibenzothiophen-4-amine?
The IUPAC name of N-(4-dibenzothiophen-4-ylphenyl)-N-(4-naphthalen-2-ylphenyl)-1-phenyldibenzothiophen-4-amine (CID 171434428) is N-(4-dibenzothiophen-4-ylphenyl)-N-(4-naphthalen-2-ylphenyl)-1-phenyldibenzothiophen-4-amine.
What is the SMILES notation for N-(4-dibenzothiophen-4-ylphenyl)-N-(4-naphthalen-2-ylphenyl)-1-phenyldibenzothiophen-4-amine?
The canonical SMILES for N-(4-dibenzothiophen-4-ylphenyl)-N-(4-naphthalen-2-ylphenyl)-1-phenyldibenzothiophen-4-amine is c1ccc(-c2ccc(N(c3ccc(-c4ccc5ccccc5c4)cc3)c3ccc(-c4cccc5c4sc4ccccc45)cc3)c3sc4ccccc4c23)cc1.
What is the InChIKey of N-(4-dibenzothiophen-4-ylphenyl)-N-(4-naphthalen-2-ylphenyl)-1-phenyldibenzothiophen-4-amine?
The InChIKey is JYMCLQVPOIQDMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H33NS2/c1-2-12-36(13-3-1)42-31-32-47(52-50(42)46-16-7-9-20-49(46)55-52)53(40-27-23-35(24-28-40)39-22-21-34-11-4-5-14-38(34)33-39)41-29-25-37(26-30-41)43-17-10-18-45-44-15-6-8-19-48(44)54-51(43)45/h1-33H.
What are the key properties of N-(4-dibenzothiophen-4-ylphenyl)-N-(4-naphthalen-2-ylphenyl)-1-phenyldibenzothiophen-4-amine?
N-(4-dibenzothiophen-4-ylphenyl)-N-(4-naphthalen-2-ylphenyl)-1-phenyldibenzothiophen-4-amine has a molecular weight of 735.98 g/mol, XLogP of 16.05, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-dibenzothiophen-4-ylphenyl)-N-(4-naphthalen-2-ylphenyl)-1-phenyldibenzothiophen-4-amine is sourced from PubChem (CID 171434428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).