N-(3,4-diphenylphenyl)-N-[4-(3-phenylnaphthalen-1-yl)phenyl]dibenzothiophen-4-amine

C52H35NS — CID 177080777

IUPACN-(3,4-diphenylphenyl)-N-[4-(3-phenylnaphthalen-1-yl)phenyl]dibenzothiophen-4-amine
SMILESc1ccc(-c2cc(-c3ccc(N(c4ccc(-c5ccccc5)c(-c5ccccc5)c4)c4cccc5c4sc4ccccc45)cc3)c3ccccc3c2)cc1
InChIInChI=1S/C52H35NS/c1-4-15-36(16-5-1)41-33-40-21-10-11-22-44(40)48(34-41)39-27-29-42(30-28-39)53(50-25-14-24-47-46-23-12-13-26-51(46)54-52(47)50)43-31-32-45(37-17-6-2-7-18-37)49(35-43)38-19-8-3-9-20-38/h1-35H
InChIKeyRILVNUDHLLIBPE-UHFFFAOYSA-N
MW705.93 g/mol
LogP15.35
Rot. Bonds7

About N-(3,4-diphenylphenyl)-N-[4-(3-phenylnaphthalen-1-yl)phenyl]dibenzothiophen-4-amine

N-(3,4-diphenylphenyl)-N-[4-(3-phenylnaphthalen-1-yl)phenyl]dibenzothiophen-4-amine (PubChem CID 177080777) has the molecular formula C52H35NS and a molecular weight of 705.93 g/mol. Its IUPAC name is N-(3,4-diphenylphenyl)-N-[4-(3-phenylnaphthalen-1-yl)phenyl]dibenzothiophen-4-amine.

Molecular Properties

Compound NameN-(3,4-diphenylphenyl)-N-[4-(3-phenylnaphthalen-1-yl)phenyl]dibenzothiophen-4-amine
PubChem CID177080777
Molecular FormulaC52H35NS
Molecular Weight705.93 g/mol
Exact Mass705.25
IUPAC NameN-(3,4-diphenylphenyl)-N-[4-(3-phenylnaphthalen-1-yl)phenyl]dibenzothiophen-4-amine
SMILESc1ccc(-c2cc(-c3ccc(N(c4ccc(-c5ccccc5)c(-c5ccccc5)c4)c4cccc5c4sc4ccccc45)cc3)c3ccccc3c2)cc1
InChIInChI=1S/C52H35NS/c1-4-15-36(16-5-1)41-33-40-21-10-11-22-44(40)48(34-41)39-27-29-42(30-28-39)53(50-25-14-24-47-46-23-12-13-26-51(46)54-52(47)50)43-31-32-45(37-17-6-2-7-18-37)49(35-43)38-19-8-3-9-20-38/h1-35H
InChIKeyRILVNUDHLLIBPE-UHFFFAOYSA-N
XLogP15.35
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500705.93
LogP ≤ 515.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-naphthalen-1-ylphenyl)-N-[4-(6-phenylnaphthalen-1-yl)phenyl]dibenzothiophen-4-amine
CID 139355171
N-(4-dibenzothiophen-3-yl-3-phenylphenyl)-N-(4-naphthalen-2-ylphenyl)dibenzothiophen-4-amine;N-(4-dibenzothiophen-3-yl-3-phenylphenyl)-N-(4-phenanthren-9-ylphenyl)dibenzothiophen-4-amine;N-(4-dibenzothiophen-3-yl-3-phenylphenyl)-N-[4-(2-phenylphenyl)phenyl]dibenzothiophen-4-amine;N-(4-dibenzothiophen-3-yl-3-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]dibenzothiophen-4-amine
CID 161045899
N-[4-(3,4-diphenylphenyl)phenyl]-N-(5-phenanthren-9-yl-2-phenylphenyl)dibenzothiophen-4-amine
CID 167235763
N-(4-naphthalen-1-ylphenyl)-N-[3-(5-phenylnaphthalen-2-yl)phenyl]dibenzothiophen-4-amine
CID 154605660
N-(4-naphthalen-1-ylphenyl)-N-[4-(7-phenylnaphthalen-2-yl)phenyl]dibenzothiophen-4-amine
CID 154605620
N-(4-dibenzothiophen-4-ylphenyl)-N-[4-(3,4-diphenylphenyl)phenyl]-2-phenylaniline
CID 164831950
N-(4-dibenzothiophen-4-ylphenyl)-N-[4-(3-naphthalen-1-yl-4-phenylphenyl)phenyl]-2-phenylaniline
CID 164831984
N-[4-(3-naphthalen-2-ylphenyl)phenyl]-N-[4-(4-phenylphenyl)phenyl]dibenzothiophen-4-amine
CID 166566107
N-(3,4-diphenylphenyl)-N-(4-naphthalen-2-ylphenyl)-6-phenyldibenzothiophen-4-amine
CID 177080732
N-(4-phenylnaphthalen-1-yl)-N-[4-(6-phenylnaphthalen-2-yl)phenyl]dibenzothiophen-4-amine
CID 154605730
N-(4-phenanthren-2-ylphenyl)-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]dibenzothiophen-4-amine
CID 172502003
N-(3,4-diphenylphenyl)-N-[2-(5-phenylnaphthalen-1-yl)phenyl]dibenzothiophen-4-amine
CID 177080685

Frequently Asked Questions

What is the IUPAC name of N-(3,4-diphenylphenyl)-N-[4-(3-phenylnaphthalen-1-yl)phenyl]dibenzothiophen-4-amine?
The IUPAC name of N-(3,4-diphenylphenyl)-N-[4-(3-phenylnaphthalen-1-yl)phenyl]dibenzothiophen-4-amine (CID 177080777) is N-(3,4-diphenylphenyl)-N-[4-(3-phenylnaphthalen-1-yl)phenyl]dibenzothiophen-4-amine.
What is the SMILES notation for N-(3,4-diphenylphenyl)-N-[4-(3-phenylnaphthalen-1-yl)phenyl]dibenzothiophen-4-amine?
The canonical SMILES for N-(3,4-diphenylphenyl)-N-[4-(3-phenylnaphthalen-1-yl)phenyl]dibenzothiophen-4-amine is c1ccc(-c2cc(-c3ccc(N(c4ccc(-c5ccccc5)c(-c5ccccc5)c4)c4cccc5c4sc4ccccc45)cc3)c3ccccc3c2)cc1.
What is the InChIKey of N-(3,4-diphenylphenyl)-N-[4-(3-phenylnaphthalen-1-yl)phenyl]dibenzothiophen-4-amine?
The InChIKey is RILVNUDHLLIBPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H35NS/c1-4-15-36(16-5-1)41-33-40-21-10-11-22-44(40)48(34-41)39-27-29-42(30-28-39)53(50-25-14-24-47-46-23-12-13-26-51(46)54-52(47)50)43-31-32-45(37-17-6-2-7-18-37)49(35-43)38-19-8-3-9-20-38/h1-35H.
What are the key properties of N-(3,4-diphenylphenyl)-N-[4-(3-phenylnaphthalen-1-yl)phenyl]dibenzothiophen-4-amine?
N-(3,4-diphenylphenyl)-N-[4-(3-phenylnaphthalen-1-yl)phenyl]dibenzothiophen-4-amine has a molecular weight of 705.93 g/mol, XLogP of 15.35, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-diphenylphenyl)-N-[4-(3-phenylnaphthalen-1-yl)phenyl]dibenzothiophen-4-amine is sourced from PubChem (CID 177080777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).