N-[3-(9-dibenzothiophen-1-ylcarbazol-4-yl)phenyl]-N-(4-naphthalen-1-ylphenyl)naphthalen-1-amine

C56H36N2S — CID 162175393

IUPACN-[3-(9-dibenzothiophen-1-ylcarbazol-4-yl)phenyl]-N-(4-naphthalen-1-ylphenyl)naphthalen-1-amine
SMILESc1cc(-c2cccc3c2c2ccccc2n3-c2cccc3sc4ccccc4c23)cc(N(c2ccc(-c3cccc4ccccc34)cc2)c2cccc3ccccc23)c1
InChIInChI=1S/C56H36N2S/c1-3-20-43-37(14-1)16-10-24-44(43)39-32-34-41(35-33-39)57(49-27-11-17-38-15-2-4-21-45(38)49)42-19-9-18-40(36-42)46-25-12-28-51-55(46)47-22-5-7-26-50(47)58(51)52-29-13-31-54-56(52)48-23-6-8-30-53(48)59-54/h1-36H
InChIKeyZOIDBKCTGGOMGF-UHFFFAOYSA-N
MW768.99 g/mol
LogP16.26
Rot. Bonds6

About N-[3-(9-dibenzothiophen-1-ylcarbazol-4-yl)phenyl]-N-(4-naphthalen-1-ylphenyl)naphthalen-1-amine

N-[3-(9-dibenzothiophen-1-ylcarbazol-4-yl)phenyl]-N-(4-naphthalen-1-ylphenyl)naphthalen-1-amine (PubChem CID 162175393) has the molecular formula C56H36N2S and a molecular weight of 768.99 g/mol. Its IUPAC name is N-[3-(9-dibenzothiophen-1-ylcarbazol-4-yl)phenyl]-N-(4-naphthalen-1-ylphenyl)naphthalen-1-amine.

Molecular Properties

Compound NameN-[3-(9-dibenzothiophen-1-ylcarbazol-4-yl)phenyl]-N-(4-naphthalen-1-ylphenyl)naphthalen-1-amine
PubChem CID162175393
Molecular FormulaC56H36N2S
Molecular Weight768.99 g/mol
Exact Mass768.26
IUPAC NameN-[3-(9-dibenzothiophen-1-ylcarbazol-4-yl)phenyl]-N-(4-naphthalen-1-ylphenyl)naphthalen-1-amine
SMILESc1cc(-c2cccc3c2c2ccccc2n3-c2cccc3sc4ccccc4c23)cc(N(c2ccc(-c3cccc4ccccc34)cc2)c2cccc3ccccc23)c1
InChIInChI=1S/C56H36N2S/c1-3-20-43-37(14-1)16-10-24-44(43)39-32-34-41(35-33-39)57(49-27-11-17-38-15-2-4-21-45(38)49)42-19-9-18-40(36-42)46-25-12-28-51-55(46)47-22-5-7-26-50(47)58(51)52-29-13-31-54-56(52)48-23-6-8-30-53(48)59-54/h1-36H
InChIKeyZOIDBKCTGGOMGF-UHFFFAOYSA-N
XLogP16.26
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms59
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500768.99
LogP ≤ 516.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-[3-(2-carbazol-9-ylphenyl)phenyl]phenyl]-N-(3-naphthalen-1-ylphenyl)dibenzothiophen-1-amine
CID 167322840
N-[4-(4-naphthalen-1-ylphenyl)phenyl]-N-[3-(9-phenylcarbazol-4-yl)phenyl]naphthalen-1-amine
CID 167195242
N-(4-dibenzothiophen-1-ylphenyl)-N-(3-naphthalen-1-ylphenyl)-2-[2-(2-phenylphenyl)phenyl]aniline
CID 172502253
3-dibenzothiophen-1-yl-N-(3-naphthalen-1-ylphenyl)-N-(4-naphthalen-1-ylphenyl)aniline
CID 168767639
N-[4-(2-carbazol-9-ylphenyl)phenyl]-N-(3-phenylphenyl)dibenzothiophen-1-amine
CID 163752073
N-[4-(4-naphthalen-1-ylphenyl)phenyl]-N-[3-[3-(9-phenylcarbazol-4-yl)phenyl]phenyl]naphthalen-1-amine
CID 167195982
N-[3-(5-phenylbenzo[b]carbazol-1-yl)phenyl]-N-(4-phenylphenyl)dibenzothiophen-1-amine
CID 166847774
N-(3-dibenzothiophen-1-ylphenyl)-2-naphthalen-1-yl-N-(3-naphthalen-1-ylphenyl)aniline
CID 168766669
2-[3-(9-dibenzofuran-1-ylcarbazol-4-yl)phenyl]-N-[4-[4-[3-[3-[4-[4-[N-[2-[3-(9-dibenzothiophen-1-ylcarbazol-4-yl)phenyl]phenyl]-4-(4-phenylphenyl)anilino]phenyl]phenyl]phenyl]phenyl]phenyl]phenyl]-N-[4-(4-phenylphenyl)phenyl]aniline
CID 166660251
N-(3-carbazol-9-ylphenyl)-2-dibenzothiophen-1-yl-N-(4-naphthalen-1-ylphenyl)aniline
CID 167325535
N-[4-(2-carbazol-9-ylphenyl)phenyl]-N-naphthalen-2-yldibenzothiophen-1-amine
CID 155396619
N-[3-[3-(9-phenylcarbazol-4-yl)phenyl]phenyl]-N-[4-(2-phenylphenyl)phenyl]naphthalen-1-amine
CID 166659786

Frequently Asked Questions

What is the IUPAC name of N-[3-(9-dibenzothiophen-1-ylcarbazol-4-yl)phenyl]-N-(4-naphthalen-1-ylphenyl)naphthalen-1-amine?
The IUPAC name of N-[3-(9-dibenzothiophen-1-ylcarbazol-4-yl)phenyl]-N-(4-naphthalen-1-ylphenyl)naphthalen-1-amine (CID 162175393) is N-[3-(9-dibenzothiophen-1-ylcarbazol-4-yl)phenyl]-N-(4-naphthalen-1-ylphenyl)naphthalen-1-amine.
What is the SMILES notation for N-[3-(9-dibenzothiophen-1-ylcarbazol-4-yl)phenyl]-N-(4-naphthalen-1-ylphenyl)naphthalen-1-amine?
The canonical SMILES for N-[3-(9-dibenzothiophen-1-ylcarbazol-4-yl)phenyl]-N-(4-naphthalen-1-ylphenyl)naphthalen-1-amine is c1cc(-c2cccc3c2c2ccccc2n3-c2cccc3sc4ccccc4c23)cc(N(c2ccc(-c3cccc4ccccc34)cc2)c2cccc3ccccc23)c1.
What is the InChIKey of N-[3-(9-dibenzothiophen-1-ylcarbazol-4-yl)phenyl]-N-(4-naphthalen-1-ylphenyl)naphthalen-1-amine?
The InChIKey is ZOIDBKCTGGOMGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H36N2S/c1-3-20-43-37(14-1)16-10-24-44(43)39-32-34-41(35-33-39)57(49-27-11-17-38-15-2-4-21-45(38)49)42-19-9-18-40(36-42)46-25-12-28-51-55(46)47-22-5-7-26-50(47)58(51)52-29-13-31-54-56(52)48-23-6-8-30-53(48)59-54/h1-36H.
What are the key properties of N-[3-(9-dibenzothiophen-1-ylcarbazol-4-yl)phenyl]-N-(4-naphthalen-1-ylphenyl)naphthalen-1-amine?
N-[3-(9-dibenzothiophen-1-ylcarbazol-4-yl)phenyl]-N-(4-naphthalen-1-ylphenyl)naphthalen-1-amine has a molecular weight of 768.99 g/mol, XLogP of 16.26, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(9-dibenzothiophen-1-ylcarbazol-4-yl)phenyl]-N-(4-naphthalen-1-ylphenyl)naphthalen-1-amine is sourced from PubChem (CID 162175393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).