N-[4-[3-dibenzothiophen-4-yl-4-(naphthalen-1-ylamino)phenyl]-2-phenylphenyl]naphthalen-1-amine

C50H34N2S — CID 121343304

IUPACN-[4-[3-dibenzothiophen-4-yl-4-(naphthalen-1-ylamino)phenyl]-2-phenylphenyl]naphthalen-1-amine
SMILESc1ccc(-c2cc(-c3ccc(Nc4cccc5ccccc45)c(-c4cccc5c4sc4ccccc45)c3)ccc2Nc2cccc3ccccc23)cc1
InChIInChI=1S/C50H34N2S/c1-2-13-35(14-3-1)43-31-36(27-29-47(43)51-45-24-10-17-33-15-4-6-19-38(33)45)37-28-30-48(52-46-25-11-18-34-16-5-7-20-39(34)46)44(32-37)42-23-12-22-41-40-21-8-9-26-49(40)53-50(41)42/h1-32,51-52H
InChIKeyNSCABKGAGGFBEQ-UHFFFAOYSA-N
MW694.90 g/mol
LogP14.85
Rot. Bonds7

About N-[4-[3-dibenzothiophen-4-yl-4-(naphthalen-1-ylamino)phenyl]-2-phenylphenyl]naphthalen-1-amine

N-[4-[3-dibenzothiophen-4-yl-4-(naphthalen-1-ylamino)phenyl]-2-phenylphenyl]naphthalen-1-amine (PubChem CID 121343304) has the molecular formula C50H34N2S and a molecular weight of 694.90 g/mol. Its IUPAC name is N-[4-[3-dibenzothiophen-4-yl-4-(naphthalen-1-ylamino)phenyl]-2-phenylphenyl]naphthalen-1-amine.

Molecular Properties

Compound NameN-[4-[3-dibenzothiophen-4-yl-4-(naphthalen-1-ylamino)phenyl]-2-phenylphenyl]naphthalen-1-amine
PubChem CID121343304
Molecular FormulaC50H34N2S
Molecular Weight694.90 g/mol
Exact Mass694.24
IUPAC NameN-[4-[3-dibenzothiophen-4-yl-4-(naphthalen-1-ylamino)phenyl]-2-phenylphenyl]naphthalen-1-amine
SMILESc1ccc(-c2cc(-c3ccc(Nc4cccc5ccccc45)c(-c4cccc5c4sc4ccccc45)c3)ccc2Nc2cccc3ccccc23)cc1
InChIInChI=1S/C50H34N2S/c1-2-13-35(14-3-1)43-31-36(27-29-47(43)51-45-24-10-17-33-15-4-6-19-38(33)45)37-28-30-48(52-46-25-11-18-34-16-5-7-20-39(34)46)44(32-37)42-23-12-22-41-40-21-8-9-26-49(40)53-50(41)42/h1-32,51-52H
InChIKeyNSCABKGAGGFBEQ-UHFFFAOYSA-N
XLogP14.85
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500694.90
LogP ≤ 514.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-(2-phenylphenyl)phenyl]dibenzothiophen-4-amine
CID 177286416
N-(3-dibenzothiophen-4-ylphenyl)-2-naphthalen-1-ylaniline
CID 168766680
4-[4-(4-phenylphenyl)phenyl]dibenzothiophene
CID 118398729
4-[3-(4-dibenzothiophen-4-ylphenyl)phenyl]dibenzothiophene
CID 118439378
2-(4-dibenzothiophen-4-yl-3-phenylphenyl)-4-(3-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 163619693
N-(4-dibenzothiophen-4-ylphenyl)-N-[4-(4-naphthalen-1-yl-3-phenylphenyl)phenyl]-4-phenylaniline
CID 164831553
N-(2,5-diphenylphenyl)naphthalen-1-amine
CID 174398533
2-(4-dibenzothiophen-4-ylphenyl)-4-phenyl-6-[4-[3-(3-phenylphenyl)phenyl]phenyl]-1,3,5-triazine
CID 142425247
4-(3-phenanthren-9-ylphenyl)dibenzothiophene;4-[4-[3-[3-(3-phenanthren-9-ylphenyl)phenyl]phenyl]phenyl]dibenzothiophene;4-[4-[3-[3-(4-phenanthren-9-ylphenyl)phenyl]phenyl]phenyl]dibenzothiophene
CID 157203788
2-[4-(6-dibenzothiophen-4-yldibenzothiophen-3-yl)phenyl]-4,6-diphenyl-1,3,5-triazine
CID 155377434
2-(4-dibenzothiophen-4-ylphenyl)-4-(3-phenylphenyl)-6-[3-(3-phenylphenyl)phenyl]-1,3,5-triazine
CID 168850283
N-(2-dibenzothiophen-4-ylphenyl)-N-(2-phenylphenyl)naphthalen-1-amine
CID 167325325

Frequently Asked Questions

What is the IUPAC name of N-[4-[3-dibenzothiophen-4-yl-4-(naphthalen-1-ylamino)phenyl]-2-phenylphenyl]naphthalen-1-amine?
The IUPAC name of N-[4-[3-dibenzothiophen-4-yl-4-(naphthalen-1-ylamino)phenyl]-2-phenylphenyl]naphthalen-1-amine (CID 121343304) is N-[4-[3-dibenzothiophen-4-yl-4-(naphthalen-1-ylamino)phenyl]-2-phenylphenyl]naphthalen-1-amine.
What is the SMILES notation for N-[4-[3-dibenzothiophen-4-yl-4-(naphthalen-1-ylamino)phenyl]-2-phenylphenyl]naphthalen-1-amine?
The canonical SMILES for N-[4-[3-dibenzothiophen-4-yl-4-(naphthalen-1-ylamino)phenyl]-2-phenylphenyl]naphthalen-1-amine is c1ccc(-c2cc(-c3ccc(Nc4cccc5ccccc45)c(-c4cccc5c4sc4ccccc45)c3)ccc2Nc2cccc3ccccc23)cc1.
What is the InChIKey of N-[4-[3-dibenzothiophen-4-yl-4-(naphthalen-1-ylamino)phenyl]-2-phenylphenyl]naphthalen-1-amine?
The InChIKey is NSCABKGAGGFBEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H34N2S/c1-2-13-35(14-3-1)43-31-36(27-29-47(43)51-45-24-10-17-33-15-4-6-19-38(33)45)37-28-30-48(52-46-25-11-18-34-16-5-7-20-39(34)46)44(32-37)42-23-12-22-41-40-21-8-9-26-49(40)53-50(41)42/h1-32,51-52H.
What are the key properties of N-[4-[3-dibenzothiophen-4-yl-4-(naphthalen-1-ylamino)phenyl]-2-phenylphenyl]naphthalen-1-amine?
N-[4-[3-dibenzothiophen-4-yl-4-(naphthalen-1-ylamino)phenyl]-2-phenylphenyl]naphthalen-1-amine has a molecular weight of 694.90 g/mol, XLogP of 14.85, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[3-dibenzothiophen-4-yl-4-(naphthalen-1-ylamino)phenyl]-2-phenylphenyl]naphthalen-1-amine is sourced from PubChem (CID 121343304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).