N-[3-(6-phenyldibenzothiophen-4-yl)phenyl]-N-(4-phenylphenyl)naphthalen-2-amine

C46H31NS — CID 121296524

IUPACN-[3-(6-phenyldibenzothiophen-4-yl)phenyl]-N-(4-phenylphenyl)naphthalen-2-amine
SMILESc1ccc(-c2ccc(N(c3cccc(-c4cccc5c4sc4c(-c6ccccc6)cccc45)c3)c3ccc4ccccc4c3)cc2)cc1
InChIInChI=1S/C46H31NS/c1-3-12-32(13-4-1)34-24-27-38(28-25-34)47(40-29-26-33-14-7-8-17-36(33)30-40)39-19-9-18-37(31-39)42-21-11-23-44-43-22-10-20-41(45(43)48-46(42)44)35-15-5-2-6-16-35/h1-31H
InChIKeyAONVHQKGTXSNPR-UHFFFAOYSA-N
MW629.83 g/mol
LogP13.68
Rot. Bonds6

About N-[3-(6-phenyldibenzothiophen-4-yl)phenyl]-N-(4-phenylphenyl)naphthalen-2-amine

N-[3-(6-phenyldibenzothiophen-4-yl)phenyl]-N-(4-phenylphenyl)naphthalen-2-amine (PubChem CID 121296524) has the molecular formula C46H31NS and a molecular weight of 629.83 g/mol. Its IUPAC name is N-[3-(6-phenyldibenzothiophen-4-yl)phenyl]-N-(4-phenylphenyl)naphthalen-2-amine.

Molecular Properties

Compound NameN-[3-(6-phenyldibenzothiophen-4-yl)phenyl]-N-(4-phenylphenyl)naphthalen-2-amine
PubChem CID121296524
Molecular FormulaC46H31NS
Molecular Weight629.83 g/mol
Exact Mass629.22
IUPAC NameN-[3-(6-phenyldibenzothiophen-4-yl)phenyl]-N-(4-phenylphenyl)naphthalen-2-amine
SMILESc1ccc(-c2ccc(N(c3cccc(-c4cccc5c4sc4c(-c6ccccc6)cccc45)c3)c3ccc4ccccc4c3)cc2)cc1
InChIInChI=1S/C46H31NS/c1-3-12-32(13-4-1)34-24-27-38(28-25-34)47(40-29-26-33-14-7-8-17-36(33)30-40)39-19-9-18-37(31-39)42-21-11-23-44-43-22-10-20-41(45(43)48-46(42)44)35-15-5-2-6-16-35/h1-31H
InChIKeyAONVHQKGTXSNPR-UHFFFAOYSA-N
XLogP13.68
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500629.83
LogP ≤ 513.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5-N-(4-dibenzothiophen-4-ylphenyl)-5-N-naphthalen-2-yl-1-N,3-N-bis(3-phenylphenyl)-1-N,3-N-bis(4-phenylphenyl)benzene-1,3,5-triamine
CID 118604879
3-naphtho[2,1-b][1]benzothiol-8-yl-N,N-bis(4-phenylphenyl)aniline
CID 121323447
N-(3-dibenzothiophen-4-ylphenyl)-N-(4-naphthalen-2-ylphenyl)dibenzothiophen-2-amine
CID 168767596
1-N,3-N-dinaphthalen-1-yl-1-N,3-N-diphenyl-5-N-[4-(6-phenyldibenzothiophen-4-yl)phenyl]-5-N-(4-phenylphenyl)benzene-1,3,5-triamine
CID 118604907
N-[4-[1-[3-(N-naphthalen-2-ylanilino)phenyl]chrysen-6-yl]phenyl]-N-phenylnaphthalen-2-amine
CID 122416704
4-dibenzothiophen-4-yl-N-(4-dibenzothiophen-4-ylphenyl)-N-[4-(3-naphthalen-2-yl-5-phenylphenyl)phenyl]aniline
CID 70808692
3,5-diphenyl-N-(4-phenylphenyl)-N-[4-(3-thiapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4(9),5,7,11,14,16,18,20-decaen-5-yl)phenyl]aniline
CID 130466870
N-(4-dibenzothiophen-4-ylphenyl)-N-[4-[3-(6-phenyldibenzofuran-4-yl)phenyl]phenyl]naphthalen-2-amine
CID 121296621
N-(4-dibenzothiophen-4-ylphenyl)-N-(4-phenanthren-2-ylphenyl)-3-(4-phenylphenyl)aniline
CID 137392484
N-(3,4-diphenylphenyl)-N-(4-naphthalen-2-ylphenyl)-6-phenyldibenzothiophen-4-amine
CID 177080732
3-dibenzothiophen-4-yl-N,N-bis(4-naphthalen-1-ylphenyl)aniline
CID 168766727
4-[3,5-di(dibenzothiophen-4-yl)phenyl]-N,N-diphenylaniline;N-[4-[3,5-di(dibenzothiophen-4-yl)phenyl]phenyl]-N,4-diphenylaniline;N-[4-[3,5-di(dibenzothiophen-4-yl)phenyl]phenyl]-N-phenylnaphthalen-1-amine;N-[4-[3,5-di(dibenzothiophen-4-yl)phenyl]phenyl]-N-phenylnaphthalen-2-amine
CID 158103860

Frequently Asked Questions

What is the IUPAC name of N-[3-(6-phenyldibenzothiophen-4-yl)phenyl]-N-(4-phenylphenyl)naphthalen-2-amine?
The IUPAC name of N-[3-(6-phenyldibenzothiophen-4-yl)phenyl]-N-(4-phenylphenyl)naphthalen-2-amine (CID 121296524) is N-[3-(6-phenyldibenzothiophen-4-yl)phenyl]-N-(4-phenylphenyl)naphthalen-2-amine.
What is the SMILES notation for N-[3-(6-phenyldibenzothiophen-4-yl)phenyl]-N-(4-phenylphenyl)naphthalen-2-amine?
The canonical SMILES for N-[3-(6-phenyldibenzothiophen-4-yl)phenyl]-N-(4-phenylphenyl)naphthalen-2-amine is c1ccc(-c2ccc(N(c3cccc(-c4cccc5c4sc4c(-c6ccccc6)cccc45)c3)c3ccc4ccccc4c3)cc2)cc1.
What is the InChIKey of N-[3-(6-phenyldibenzothiophen-4-yl)phenyl]-N-(4-phenylphenyl)naphthalen-2-amine?
The InChIKey is AONVHQKGTXSNPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H31NS/c1-3-12-32(13-4-1)34-24-27-38(28-25-34)47(40-29-26-33-14-7-8-17-36(33)30-40)39-19-9-18-37(31-39)42-21-11-23-44-43-22-10-20-41(45(43)48-46(42)44)35-15-5-2-6-16-35/h1-31H.
What are the key properties of N-[3-(6-phenyldibenzothiophen-4-yl)phenyl]-N-(4-phenylphenyl)naphthalen-2-amine?
N-[3-(6-phenyldibenzothiophen-4-yl)phenyl]-N-(4-phenylphenyl)naphthalen-2-amine has a molecular weight of 629.83 g/mol, XLogP of 13.68, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(6-phenyldibenzothiophen-4-yl)phenyl]-N-(4-phenylphenyl)naphthalen-2-amine is sourced from PubChem (CID 121296524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).