4-(9-naphthalen-1-ylcarbazol-3-yl)-N-(4-naphthalen-1-ylphenyl)-N-phenyldibenzothiophen-2-amine

C56H36N2S — CID 122463023

IUPAC4-(9-naphthalen-1-ylcarbazol-3-yl)-N-(4-naphthalen-1-ylphenyl)-N-phenyldibenzothiophen-2-amine
SMILESc1ccc(N(c2ccc(-c3cccc4ccccc34)cc2)c2cc(-c3ccc4c(c3)c3ccccc3n4-c3cccc4ccccc34)c3sc4ccccc4c3c2)cc1
InChIInChI=1S/C56H36N2S/c1-2-18-41(19-3-1)57(42-31-28-39(29-32-42)45-24-12-16-37-14-4-6-20-44(37)45)43-35-49(56-51(36-43)48-23-9-11-27-55(48)59-56)40-30-33-54-50(34-40)47-22-8-10-25-53(47)58(54)52-26-13-17-38-15-5-7-21-46(38)52/h1-36H
InChIKeyIXTYAJQADCSVBW-UHFFFAOYSA-N
MW768.99 g/mol
LogP16.26
Rot. Bonds6

About 4-(9-naphthalen-1-ylcarbazol-3-yl)-N-(4-naphthalen-1-ylphenyl)-N-phenyldibenzothiophen-2-amine

4-(9-naphthalen-1-ylcarbazol-3-yl)-N-(4-naphthalen-1-ylphenyl)-N-phenyldibenzothiophen-2-amine (PubChem CID 122463023) has the molecular formula C56H36N2S and a molecular weight of 768.99 g/mol. Its IUPAC name is 4-(9-naphthalen-1-ylcarbazol-3-yl)-N-(4-naphthalen-1-ylphenyl)-N-phenyldibenzothiophen-2-amine.

Molecular Properties

Compound Name4-(9-naphthalen-1-ylcarbazol-3-yl)-N-(4-naphthalen-1-ylphenyl)-N-phenyldibenzothiophen-2-amine
PubChem CID122463023
Molecular FormulaC56H36N2S
Molecular Weight768.99 g/mol
Exact Mass768.26
IUPAC Name4-(9-naphthalen-1-ylcarbazol-3-yl)-N-(4-naphthalen-1-ylphenyl)-N-phenyldibenzothiophen-2-amine
SMILESc1ccc(N(c2ccc(-c3cccc4ccccc34)cc2)c2cc(-c3ccc4c(c3)c3ccccc3n4-c3cccc4ccccc34)c3sc4ccccc4c3c2)cc1
InChIInChI=1S/C56H36N2S/c1-2-18-41(19-3-1)57(42-31-28-39(29-32-42)45-24-12-16-37-14-4-6-20-44(37)45)43-35-49(56-51(36-43)48-23-9-11-27-55(48)59-56)40-30-33-54-50(34-40)47-22-8-10-25-53(47)58(54)52-26-13-17-38-15-5-7-21-46(38)52/h1-36H
InChIKeyIXTYAJQADCSVBW-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

4-[2-(9-dibenzothiophen-4-ylcarbazol-3-yl)phenyl]-N,N-diphenylaniline
CID 118086505
4-(4-carbazol-9-ylphenyl)-N-(3-naphthalen-1-ylphenyl)-N-(3-phenylphenyl)dibenzothiophen-2-amine
CID 176609654
4-naphthalen-2-yl-N-(4-naphthalen-1-ylphenyl)-N-(4-phenylphenyl)dibenzothiophen-2-amine;4-naphthalen-2-yl-N-(4-naphthalen-2-ylphenyl)-N-(4-phenylphenyl)dibenzothiophen-2-amine;4-naphthalen-2-yl-N-phenyl-N-[4-(4-phenylphenyl)phenyl]dibenzothiophen-2-amine
CID 162263920
3-carbazol-9-yl-N-(4-dibenzothiophen-4-ylphenyl)-N-(4-naphthalen-1-ylphenyl)aniline
CID 146578511
N-[4-(2-carbazol-9-ylphenyl)phenyl]-N-(4-dibenzothiophen-4-ylphenyl)-5-naphthalen-1-yl-2-phenylaniline
CID 167234223
3-[2-(9-dibenzothiophen-4-ylcarbazol-3-yl)phenyl]-N,N-bis(4-phenylphenyl)aniline
CID 118086690
N-[4-(9-naphthalen-1-ylcarbazol-3-yl)phenyl]-N-triphenylen-2-yldibenzothiophen-2-amine
CID 88898926
N-[4-(2-carbazol-9-ylphenyl)phenyl]-N-(4-dibenzothiophen-4-ylphenyl)-4-(2-phenylphenyl)aniline
CID 155396548
3-dibenzothiophen-4-yl-N,N-bis(4-naphthalen-1-ylphenyl)aniline
CID 168766727
N-[4-[2-(9-naphthalen-1-ylcarbazol-3-yl)phenyl]phenyl]-N,2-diphenylaniline
CID 118103122
4-(2-carbazol-9-ylphenyl)-N-(3,4-diphenylphenyl)-N-(3-methylphenyl)dibenzothiophen-2-amine
CID 176608635
N-(4-dibenzofuran-2-ylphenyl)-N-[4-(9-naphthalen-1-ylcarbazol-3-yl)phenyl]-4-phenylaniline;N-(4-dibenzofuran-4-ylphenyl)-N-[4-(9-naphthalen-1-ylcarbazol-3-yl)phenyl]-4-phenylaniline;N-(4-dibenzothiophen-4-ylphenyl)-N-[4-(9-naphthalen-1-ylcarbazol-3-yl)phenyl]-4-phenylaniline;N-[4-(9-naphthalen-1-ylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)dibenzothiophen-2-amine
CID 159567420

Frequently Asked Questions

What is the IUPAC name of 4-(9-naphthalen-1-ylcarbazol-3-yl)-N-(4-naphthalen-1-ylphenyl)-N-phenyldibenzothiophen-2-amine?
The IUPAC name of 4-(9-naphthalen-1-ylcarbazol-3-yl)-N-(4-naphthalen-1-ylphenyl)-N-phenyldibenzothiophen-2-amine (CID 122463023) is 4-(9-naphthalen-1-ylcarbazol-3-yl)-N-(4-naphthalen-1-ylphenyl)-N-phenyldibenzothiophen-2-amine.
What is the SMILES notation for 4-(9-naphthalen-1-ylcarbazol-3-yl)-N-(4-naphthalen-1-ylphenyl)-N-phenyldibenzothiophen-2-amine?
The canonical SMILES for 4-(9-naphthalen-1-ylcarbazol-3-yl)-N-(4-naphthalen-1-ylphenyl)-N-phenyldibenzothiophen-2-amine is c1ccc(N(c2ccc(-c3cccc4ccccc34)cc2)c2cc(-c3ccc4c(c3)c3ccccc3n4-c3cccc4ccccc34)c3sc4ccccc4c3c2)cc1.
What is the InChIKey of 4-(9-naphthalen-1-ylcarbazol-3-yl)-N-(4-naphthalen-1-ylphenyl)-N-phenyldibenzothiophen-2-amine?
The InChIKey is IXTYAJQADCSVBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H36N2S/c1-2-18-41(19-3-1)57(42-31-28-39(29-32-42)45-24-12-16-37-14-4-6-20-44(37)45)43-35-49(56-51(36-43)48-23-9-11-27-55(48)59-56)40-30-33-54-50(34-40)47-22-8-10-25-53(47)58(54)52-26-13-17-38-15-5-7-21-46(38)52/h1-36H.
What are the key properties of 4-(9-naphthalen-1-ylcarbazol-3-yl)-N-(4-naphthalen-1-ylphenyl)-N-phenyldibenzothiophen-2-amine?
4-(9-naphthalen-1-ylcarbazol-3-yl)-N-(4-naphthalen-1-ylphenyl)-N-phenyldibenzothiophen-2-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 4-(9-naphthalen-1-ylcarbazol-3-yl)-N-(4-naphthalen-1-ylphenyl)-N-phenyldibenzothiophen-2-amine is sourced from PubChem (CID 122463023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).