N-(3,4-diphenylphenyl)-N-[2-(5-phenylnaphthalen-1-yl)phenyl]dibenzothiophen-4-amine

C52H35NS — CID 177080685

IUPACN-(3,4-diphenylphenyl)-N-[2-(5-phenylnaphthalen-1-yl)phenyl]dibenzothiophen-4-amine
SMILESc1ccc(-c2ccc(N(c3ccccc3-c3cccc4c(-c5ccccc5)cccc34)c3cccc4c3sc3ccccc34)cc2-c2ccccc2)cc1
InChIInChI=1S/C52H35NS/c1-4-17-36(18-5-1)40-25-14-27-43-42(40)26-15-28-44(43)45-23-10-12-30-49(45)53(50-31-16-29-47-46-24-11-13-32-51(46)54-52(47)50)39-33-34-41(37-19-6-2-7-20-37)48(35-39)38-21-8-3-9-22-38/h1-35H
InChIKeyPGADLWNIQXPBDV-UHFFFAOYSA-N
MW705.93 g/mol
LogP15.35
Rot. Bonds7

About N-(3,4-diphenylphenyl)-N-[2-(5-phenylnaphthalen-1-yl)phenyl]dibenzothiophen-4-amine

N-(3,4-diphenylphenyl)-N-[2-(5-phenylnaphthalen-1-yl)phenyl]dibenzothiophen-4-amine (PubChem CID 177080685) has the molecular formula C52H35NS and a molecular weight of 705.93 g/mol. Its IUPAC name is N-(3,4-diphenylphenyl)-N-[2-(5-phenylnaphthalen-1-yl)phenyl]dibenzothiophen-4-amine.

Molecular Properties

Compound NameN-(3,4-diphenylphenyl)-N-[2-(5-phenylnaphthalen-1-yl)phenyl]dibenzothiophen-4-amine
PubChem CID177080685
Molecular FormulaC52H35NS
Molecular Weight705.93 g/mol
Exact Mass705.25
IUPAC NameN-(3,4-diphenylphenyl)-N-[2-(5-phenylnaphthalen-1-yl)phenyl]dibenzothiophen-4-amine
SMILESc1ccc(-c2ccc(N(c3ccccc3-c3cccc4c(-c5ccccc5)cccc34)c3cccc4c3sc3ccccc34)cc2-c2ccccc2)cc1
InChIInChI=1S/C52H35NS/c1-4-17-36(18-5-1)40-25-14-27-43-42(40)26-15-28-44(43)45-23-10-12-30-49(45)53(50-31-16-29-47-46-24-11-13-32-51(46)54-52(47)50)39-33-34-41(37-19-6-2-7-20-37)48(35-39)38-21-8-3-9-22-38/h1-35H
InChIKeyPGADLWNIQXPBDV-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-[2-(2-phenylphenyl)phenyl]-N-[3-(2-phenylphenyl)phenyl]dibenzothiophen-4-amine
CID 164744415
N-dibenzothiophen-4-yl-N-[4-(5-phenylnaphthalen-1-yl)phenyl]dibenzothiophen-4-amine
CID 139363076
N-[2-[2-(N-dibenzothiophen-4-yl-4-phenylanilino)phenyl]phenyl]-N-(4-phenylphenyl)dibenzothiophen-4-amine
CID 139322283
N-(2-dibenzothiophen-4-ylphenyl)-N-[3-phenyl-4-(4-phenylphenyl)phenyl]phenanthren-9-amine
CID 155305049
N-(2-dibenzothiophen-4-ylphenyl)-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]naphthalen-2-amine
CID 172501645
N-(4-phenylnaphthalen-1-yl)-N-[4-(3-phenylnaphthalen-2-yl)phenyl]dibenzothiophen-4-amine;N-[4-(3-phenylnaphthalen-2-yl)phenyl]-N-[2-(4-phenylphenyl)phenyl]dibenzothiophen-4-amine;N-[4-(3-phenylnaphthalen-2-yl)phenyl]-N-[3-(4-phenylphenyl)phenyl]dibenzothiophen-4-amine;N-[4-(3-phenylnaphthalen-2-yl)phenyl]-N-[4-(4-phenylphenyl)phenyl]dibenzothiophen-4-amine
CID 158866237
N-(3-naphthalen-2-ylphenyl)-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]dibenzothiophen-4-amine
CID 172500806
N-[3-[2-(N-dibenzothiophen-4-yl-4-phenylanilino)phenyl]phenyl]-N-(4-phenylphenyl)dibenzothiophen-4-amine
CID 167086291
N-dibenzothiophen-4-yl-N-[2-[3-(2-phenyl-N-(4-phenylnaphthalen-1-yl)anilino)phenyl]phenyl]dibenzofuran-1-amine
CID 167086793
N-phenyl-N-[4-[4-(N-(4-phenylphenyl)anilino)phenyl]naphthalen-1-yl]dibenzothiophen-4-amine
CID 153299777
N-(4-phenylphenyl)-N-[2-phenyl-4-(4-phenylphenyl)phenyl]dibenzothiophen-4-amine
CID 155122859
N-(3,4-diphenylphenyl)-N-[4-(3-phenylnaphthalen-1-yl)phenyl]dibenzothiophen-4-amine
CID 177080777

Frequently Asked Questions

What is the IUPAC name of N-(3,4-diphenylphenyl)-N-[2-(5-phenylnaphthalen-1-yl)phenyl]dibenzothiophen-4-amine?
The IUPAC name of N-(3,4-diphenylphenyl)-N-[2-(5-phenylnaphthalen-1-yl)phenyl]dibenzothiophen-4-amine (CID 177080685) is N-(3,4-diphenylphenyl)-N-[2-(5-phenylnaphthalen-1-yl)phenyl]dibenzothiophen-4-amine.
What is the SMILES notation for N-(3,4-diphenylphenyl)-N-[2-(5-phenylnaphthalen-1-yl)phenyl]dibenzothiophen-4-amine?
The canonical SMILES for N-(3,4-diphenylphenyl)-N-[2-(5-phenylnaphthalen-1-yl)phenyl]dibenzothiophen-4-amine is c1ccc(-c2ccc(N(c3ccccc3-c3cccc4c(-c5ccccc5)cccc34)c3cccc4c3sc3ccccc34)cc2-c2ccccc2)cc1.
What is the InChIKey of N-(3,4-diphenylphenyl)-N-[2-(5-phenylnaphthalen-1-yl)phenyl]dibenzothiophen-4-amine?
The InChIKey is PGADLWNIQXPBDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H35NS/c1-4-17-36(18-5-1)40-25-14-27-43-42(40)26-15-28-44(43)45-23-10-12-30-49(45)53(50-31-16-29-47-46-24-11-13-32-51(46)54-52(47)50)39-33-34-41(37-19-6-2-7-20-37)48(35-39)38-21-8-3-9-22-38/h1-35H.
What are the key properties of N-(3,4-diphenylphenyl)-N-[2-(5-phenylnaphthalen-1-yl)phenyl]dibenzothiophen-4-amine?
N-(3,4-diphenylphenyl)-N-[2-(5-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-[2-(5-phenylnaphthalen-1-yl)phenyl]dibenzothiophen-4-amine is sourced from PubChem (CID 177080685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).