N-(4-naphthalen-1-ylnaphthalen-2-yl)-N-[4-(8-phenylnaphthalen-1-yl)phenyl]dibenzothiophen-3-amine

C54H35NS — CID 166589707

IUPACN-(4-naphthalen-1-ylnaphthalen-2-yl)-N-[4-(8-phenylnaphthalen-1-yl)phenyl]dibenzothiophen-3-amine
SMILESc1ccc(-c2cccc3cccc(-c4ccc(N(c5cc(-c6cccc7ccccc67)c6ccccc6c5)c5ccc6c(c5)sc5ccccc56)cc4)c23)cc1
InChIInChI=1S/C54H35NS/c1-2-13-37(14-3-1)46-23-11-18-39-19-12-24-47(54(39)46)38-27-29-41(30-28-38)55(42-31-32-50-49-22-8-9-26-52(49)56-53(50)35-42)43-33-40-16-5-7-21-45(40)51(34-43)48-25-10-17-36-15-4-6-20-44(36)48/h1-35H
InChIKeyLLWLJOHKQKLMEB-UHFFFAOYSA-N
MW729.95 g/mol
LogP15.98
Rot. Bonds6

About N-(4-naphthalen-1-ylnaphthalen-2-yl)-N-[4-(8-phenylnaphthalen-1-yl)phenyl]dibenzothiophen-3-amine

N-(4-naphthalen-1-ylnaphthalen-2-yl)-N-[4-(8-phenylnaphthalen-1-yl)phenyl]dibenzothiophen-3-amine (PubChem CID 166589707) has the molecular formula C54H35NS and a molecular weight of 729.95 g/mol. Its IUPAC name is N-(4-naphthalen-1-ylnaphthalen-2-yl)-N-[4-(8-phenylnaphthalen-1-yl)phenyl]dibenzothiophen-3-amine.

Molecular Properties

Compound NameN-(4-naphthalen-1-ylnaphthalen-2-yl)-N-[4-(8-phenylnaphthalen-1-yl)phenyl]dibenzothiophen-3-amine
PubChem CID166589707
Molecular FormulaC54H35NS
Molecular Weight729.95 g/mol
Exact Mass729.25
IUPAC NameN-(4-naphthalen-1-ylnaphthalen-2-yl)-N-[4-(8-phenylnaphthalen-1-yl)phenyl]dibenzothiophen-3-amine
SMILESc1ccc(-c2cccc3cccc(-c4ccc(N(c5cc(-c6cccc7ccccc67)c6ccccc6c5)c5ccc6c(c5)sc5ccccc56)cc4)c23)cc1
InChIInChI=1S/C54H35NS/c1-2-13-37(14-3-1)46-23-11-18-39-19-12-24-47(54(39)46)38-27-29-41(30-28-38)55(42-31-32-50-49-22-8-9-26-52(49)56-53(50)35-42)43-33-40-16-5-7-21-45(40)51(34-43)48-25-10-17-36-15-4-6-20-44(36)48/h1-35H
InChIKeyLLWLJOHKQKLMEB-UHFFFAOYSA-N
XLogP15.98
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500729.95
LogP ≤ 515.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-phenyl-N-[4-[6-(N-(4-phenylphenyl)anilino)naphthalen-1-yl]phenyl]dibenzothiophen-3-amine
CID 166917554
N-(4-naphthalen-1-ylphenyl)-N-[4-(6-phenylnaphthalen-1-yl)phenyl]dibenzothiophen-3-amine
CID 139355163
N-chrysen-2-yl-N-(4-naphthalen-1-ylphenyl)dibenzothiophen-3-amine
CID 170130743
5-naphthalen-1-yl-N-[4-(8-phenylnaphthalen-1-yl)phenyl]-N-(4-phenylphenyl)naphthalen-2-amine
CID 166589752
N-[4-[8-(4-fluorophenyl)naphthalen-1-yl]phenyl]-N-(8-phenylnaphthalen-2-yl)dibenzothiophen-3-amine
CID 171763453
N-(3-naphthalen-1-ylphenyl)-N-phenyldibenzothiophen-3-amine
CID 167324291
N-[4-(4-carbazol-9-ylphenyl)phenyl]-N-[4-(8-phenylnaphthalen-1-yl)phenyl]dibenzothiophen-3-amine
CID 170379955
4-naphthalen-1-yl-N-phenyl-N-[4-(4-phenylnaphthalen-1-yl)phenyl]naphthalen-2-amine
CID 166589751
N-(4-dibenzothiophen-1-ylphenyl)-N-(4-phenylphenyl)benzo[c]phenanthren-2-amine
CID 167184166
N-(4-naphthalen-1-ylphenyl)-N-[3-(8-phenylnaphthalen-1-yl)phenyl]dibenzofuran-2-amine;N-(4-naphthalen-1-ylphenyl)-N-[3-(8-phenylnaphthalen-1-yl)phenyl]dibenzofuran-3-amine;N-(4-naphthalen-1-ylphenyl)-N-[3-(8-phenylnaphthalen-1-yl)phenyl]dibenzothiophen-3-amine
CID 160932479
3-dibenzothiophen-1-yl-N-(3-naphthalen-1-ylphenyl)-N-(4-naphthalen-1-ylphenyl)aniline
CID 168767639
N-(4-naphthalen-1-ylphenyl)-4-phenyl-N-[4-(2-phenyldibenzothiophen-3-yl)phenyl]aniline
CID 135277607

Frequently Asked Questions

What is the IUPAC name of N-(4-naphthalen-1-ylnaphthalen-2-yl)-N-[4-(8-phenylnaphthalen-1-yl)phenyl]dibenzothiophen-3-amine?
The IUPAC name of N-(4-naphthalen-1-ylnaphthalen-2-yl)-N-[4-(8-phenylnaphthalen-1-yl)phenyl]dibenzothiophen-3-amine (CID 166589707) is N-(4-naphthalen-1-ylnaphthalen-2-yl)-N-[4-(8-phenylnaphthalen-1-yl)phenyl]dibenzothiophen-3-amine.
What is the SMILES notation for N-(4-naphthalen-1-ylnaphthalen-2-yl)-N-[4-(8-phenylnaphthalen-1-yl)phenyl]dibenzothiophen-3-amine?
The canonical SMILES for N-(4-naphthalen-1-ylnaphthalen-2-yl)-N-[4-(8-phenylnaphthalen-1-yl)phenyl]dibenzothiophen-3-amine is c1ccc(-c2cccc3cccc(-c4ccc(N(c5cc(-c6cccc7ccccc67)c6ccccc6c5)c5ccc6c(c5)sc5ccccc56)cc4)c23)cc1.
What is the InChIKey of N-(4-naphthalen-1-ylnaphthalen-2-yl)-N-[4-(8-phenylnaphthalen-1-yl)phenyl]dibenzothiophen-3-amine?
The InChIKey is LLWLJOHKQKLMEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H35NS/c1-2-13-37(14-3-1)46-23-11-18-39-19-12-24-47(54(39)46)38-27-29-41(30-28-38)55(42-31-32-50-49-22-8-9-26-52(49)56-53(50)35-42)43-33-40-16-5-7-21-45(40)51(34-43)48-25-10-17-36-15-4-6-20-44(36)48/h1-35H.
What are the key properties of N-(4-naphthalen-1-ylnaphthalen-2-yl)-N-[4-(8-phenylnaphthalen-1-yl)phenyl]dibenzothiophen-3-amine?
N-(4-naphthalen-1-ylnaphthalen-2-yl)-N-[4-(8-phenylnaphthalen-1-yl)phenyl]dibenzothiophen-3-amine has a molecular weight of 729.95 g/mol, XLogP of 15.98, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-naphthalen-1-ylnaphthalen-2-yl)-N-[4-(8-phenylnaphthalen-1-yl)phenyl]dibenzothiophen-3-amine is sourced from PubChem (CID 166589707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).