4-(2-carbazol-9-ylphenyl)-N-(4-dibenzofuran-4-ylphenyl)-N-naphthalen-2-yldibenzothiophen-3-amine

C58H36N2OS — CID 176609519

IUPAC4-(2-carbazol-9-ylphenyl)-N-(4-dibenzofuran-4-ylphenyl)-N-naphthalen-2-yldibenzothiophen-3-amine
SMILESc1ccc(-n2c3ccccc3c3ccccc32)c(-c2c(N(c3ccc(-c4cccc5c4oc4ccccc45)cc3)c3ccc4ccccc4c3)ccc3c2sc2ccccc23)c1
InChIInChI=1S/C58H36N2OS/c1-2-15-39-36-41(33-28-37(39)14-1)59(40-31-29-38(30-32-40)42-21-13-22-47-45-18-6-11-26-54(45)61-57(42)47)53-35-34-48-46-19-7-12-27-55(46)62-58(48)56(53)49-20-5-10-25-52(49)60-50-23-8-3-16-43(50)44-17-4-9-24-51(44)60/h1-36H
InChIKeyAVUMNUMKTNKKGO-UHFFFAOYSA-N
MW809.01 g/mol
LogP17.01
Rot. Bonds6

About 4-(2-carbazol-9-ylphenyl)-N-(4-dibenzofuran-4-ylphenyl)-N-naphthalen-2-yldibenzothiophen-3-amine

4-(2-carbazol-9-ylphenyl)-N-(4-dibenzofuran-4-ylphenyl)-N-naphthalen-2-yldibenzothiophen-3-amine (PubChem CID 176609519) has the molecular formula C58H36N2OS and a molecular weight of 809.01 g/mol. Its IUPAC name is 4-(2-carbazol-9-ylphenyl)-N-(4-dibenzofuran-4-ylphenyl)-N-naphthalen-2-yldibenzothiophen-3-amine.

Molecular Properties

Compound Name4-(2-carbazol-9-ylphenyl)-N-(4-dibenzofuran-4-ylphenyl)-N-naphthalen-2-yldibenzothiophen-3-amine
PubChem CID176609519
Molecular FormulaC58H36N2OS
Molecular Weight809.01 g/mol
Exact Mass808.25
IUPAC Name4-(2-carbazol-9-ylphenyl)-N-(4-dibenzofuran-4-ylphenyl)-N-naphthalen-2-yldibenzothiophen-3-amine
SMILESc1ccc(-n2c3ccccc3c3ccccc32)c(-c2c(N(c3ccc(-c4cccc5c4oc4ccccc45)cc3)c3ccc4ccccc4c3)ccc3c2sc2ccccc23)c1
InChIInChI=1S/C58H36N2OS/c1-2-15-39-36-41(33-28-37(39)14-1)59(40-31-29-38(30-32-40)42-21-13-22-47-45-18-6-11-26-54(45)61-57(42)47)53-35-34-48-46-19-7-12-27-55(46)62-58(48)56(53)49-20-5-10-25-52(49)60-50-23-8-3-16-43(50)44-17-4-9-24-51(44)60/h1-36H
InChIKeyAVUMNUMKTNKKGO-UHFFFAOYSA-N
XLogP17.01
TPSA21.31 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500809.01
LogP ≤ 517.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-(3-carbazol-9-ylphenyl)-N-(2-dibenzofuran-4-ylphenyl)-N-naphthalen-2-yldibenzothiophen-3-amine
CID 176608218
N-(4-dibenzofuran-4-ylphenyl)-4-[4-(N-(4-dibenzofuran-4-ylphenyl)anilino)phenyl]-N-phenylaniline;N-[4-(9-dibenzothiophen-4-ylcarbazol-3-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline;N-phenyl-4-(4-phenylphenyl)-N-[4-[4-(N-[4-(4-phenylphenyl)phenyl]anilino)phenyl]phenyl]aniline
CID 159898925
N-[4-[2-(2-carbazol-9-ylphenyl)phenyl]phenyl]-N-dibenzothiophen-4-yldibenzofuran-2-amine
CID 167322717
N-(4-dibenzofuran-4-ylphenyl)-4-[4-(N-(4-dibenzothiophen-4-ylphenyl)anilino)phenyl]-N-phenylaniline;N-[4-(9-dibenzothiophen-4-ylcarbazol-3-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline;N-phenyl-4-(4-phenylphenyl)-N-[4-[4-(N-[4-(4-phenylphenyl)phenyl]anilino)phenyl]phenyl]aniline
CID 164969143
N-[4-(2-benzo[b]carbazol-5-yldibenzothiophen-4-yl)phenyl]-N-naphthalen-2-yldibenzofuran-4-amine
CID 156521401
3-carbazol-9-yl-N-(4-dibenzofuran-4-ylphenyl)-N-phenylaniline;2-carbazol-9-yl-N-(4-dibenzothiophen-4-ylphenyl)-N-phenylaniline;3-carbazol-9-yl-N-(4-dibenzothiophen-4-ylphenyl)-N-phenylaniline;4-(3-carbazol-9-ylphenyl)-N-(4-dibenzofuran-4-ylphenyl)-N-(4-naphthalen-1-ylphenyl)aniline;4-(2-carbazol-9-ylphenyl)-N-(4-dibenzothiophen-4-ylphenyl)-N-phenylaniline;4-(3-carbazol-9-ylphenyl)-N-(4-dibenzothiophen-4-ylphenyl)-N-phenylaniline
CID 163731199
4-(2-carbazol-9-ylphenyl)-N-(3-dibenzofuran-1-ylphenyl)-N-(4-naphthalen-2-ylphenyl)dibenzofuran-3-amine
CID 176609179
N-[2-(2-carbazol-9-ylphenyl)phenyl]-N-(3-dibenzofuran-4-ylphenyl)naphthalen-2-amine
CID 139544943
N-(4-dibenzofuran-4-ylphenyl)-2-dibenzothiophen-4-yl-N-(4-naphthalen-2-ylphenyl)aniline
CID 167325168
N-[4-[2-(2-carbazol-9-ylphenyl)phenyl]phenyl]-N-(4-dibenzofuran-4-ylphenyl)phenanthren-3-amine
CID 139544784
N-(4-dibenzofuran-2-ylphenyl)-N-[4-(9-phenylcarbazol-3-yl)phenyl]naphthalen-1-amine;N-(4-dibenzofuran-4-ylphenyl)-N-[4-(9-phenylcarbazol-3-yl)phenyl]naphthalen-1-amine;N-naphthalen-2-yl-N-[4-(9-phenylcarbazol-3-yl)phenyl]dibenzofuran-4-amine;N-naphthalen-2-yl-N-[4-(9-phenylcarbazol-3-yl)phenyl]dibenzothiophen-4-amine
CID 158765488
N-[4-[3-(2-carbazol-9-ylphenyl)phenyl]phenyl]-N-(2-dibenzofuran-4-ylphenyl)naphthalen-2-amine
CID 139545256

Frequently Asked Questions

What is the IUPAC name of 4-(2-carbazol-9-ylphenyl)-N-(4-dibenzofuran-4-ylphenyl)-N-naphthalen-2-yldibenzothiophen-3-amine?
The IUPAC name of 4-(2-carbazol-9-ylphenyl)-N-(4-dibenzofuran-4-ylphenyl)-N-naphthalen-2-yldibenzothiophen-3-amine (CID 176609519) is 4-(2-carbazol-9-ylphenyl)-N-(4-dibenzofuran-4-ylphenyl)-N-naphthalen-2-yldibenzothiophen-3-amine.
What is the SMILES notation for 4-(2-carbazol-9-ylphenyl)-N-(4-dibenzofuran-4-ylphenyl)-N-naphthalen-2-yldibenzothiophen-3-amine?
The canonical SMILES for 4-(2-carbazol-9-ylphenyl)-N-(4-dibenzofuran-4-ylphenyl)-N-naphthalen-2-yldibenzothiophen-3-amine is c1ccc(-n2c3ccccc3c3ccccc32)c(-c2c(N(c3ccc(-c4cccc5c4oc4ccccc45)cc3)c3ccc4ccccc4c3)ccc3c2sc2ccccc23)c1.
What is the InChIKey of 4-(2-carbazol-9-ylphenyl)-N-(4-dibenzofuran-4-ylphenyl)-N-naphthalen-2-yldibenzothiophen-3-amine?
The InChIKey is AVUMNUMKTNKKGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H36N2OS/c1-2-15-39-36-41(33-28-37(39)14-1)59(40-31-29-38(30-32-40)42-21-13-22-47-45-18-6-11-26-54(45)61-57(42)47)53-35-34-48-46-19-7-12-27-55(46)62-58(48)56(53)49-20-5-10-25-52(49)60-50-23-8-3-16-43(50)44-17-4-9-24-51(44)60/h1-36H.
What are the key properties of 4-(2-carbazol-9-ylphenyl)-N-(4-dibenzofuran-4-ylphenyl)-N-naphthalen-2-yldibenzothiophen-3-amine?
4-(2-carbazol-9-ylphenyl)-N-(4-dibenzofuran-4-ylphenyl)-N-naphthalen-2-yldibenzothiophen-3-amine has a molecular weight of 809.01 g/mol, XLogP of 17.01, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-carbazol-9-ylphenyl)-N-(4-dibenzofuran-4-ylphenyl)-N-naphthalen-2-yldibenzothiophen-3-amine is sourced from PubChem (CID 176609519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).