4-(2-carbazol-9-ylphenyl)-N-(3-dibenzofuran-4-ylphenyl)-N-naphthalen-1-yldibenzothiophen-2-amine

C58H36N2OS — CID 176608425

IUPAC4-(2-carbazol-9-ylphenyl)-N-(3-dibenzofuran-4-ylphenyl)-N-naphthalen-1-yldibenzothiophen-2-amine
SMILESc1cc(-c2cccc3c2oc2ccccc23)cc(N(c2cc(-c3ccccc3-n3c4ccccc4c4ccccc43)c3sc4ccccc4c3c2)c2cccc3ccccc23)c1
InChIInChI=1S/C58H36N2OS/c1-2-20-41-37(16-1)17-14-31-51(41)59(39-19-13-18-38(34-39)42-26-15-27-48-46-24-6-11-32-55(46)61-57(42)48)40-35-49(58-50(36-40)47-25-7-12-33-56(47)62-58)45-23-5-10-30-54(45)60-52-28-8-3-21-43(52)44-22-4-9-29-53(44)60/h1-36H
InChIKeyCFQZGPAEDYQTMK-UHFFFAOYSA-N
MW809.01 g/mol
LogP17.01
Rot. Bonds6

About 4-(2-carbazol-9-ylphenyl)-N-(3-dibenzofuran-4-ylphenyl)-N-naphthalen-1-yldibenzothiophen-2-amine

4-(2-carbazol-9-ylphenyl)-N-(3-dibenzofuran-4-ylphenyl)-N-naphthalen-1-yldibenzothiophen-2-amine (PubChem CID 176608425) has the molecular formula C58H36N2OS and a molecular weight of 809.01 g/mol. Its IUPAC name is 4-(2-carbazol-9-ylphenyl)-N-(3-dibenzofuran-4-ylphenyl)-N-naphthalen-1-yldibenzothiophen-2-amine.

Molecular Properties

Compound Name4-(2-carbazol-9-ylphenyl)-N-(3-dibenzofuran-4-ylphenyl)-N-naphthalen-1-yldibenzothiophen-2-amine
PubChem CID176608425
Molecular FormulaC58H36N2OS
Molecular Weight809.01 g/mol
Exact Mass808.25
IUPAC Name4-(2-carbazol-9-ylphenyl)-N-(3-dibenzofuran-4-ylphenyl)-N-naphthalen-1-yldibenzothiophen-2-amine
SMILESc1cc(-c2cccc3c2oc2ccccc23)cc(N(c2cc(-c3ccccc3-n3c4ccccc4c4ccccc43)c3sc4ccccc4c3c2)c2cccc3ccccc23)c1
InChIInChI=1S/C58H36N2OS/c1-2-20-41-37(16-1)17-14-31-51(41)59(39-19-13-18-38(34-39)42-26-15-27-48-46-24-6-11-32-55(46)61-57(42)48)40-35-49(58-50(36-40)47-25-7-12-33-56(47)62-58)45-23-5-10-30-54(45)60-52-28-8-3-21-43(52)44-22-4-9-29-53(44)60/h1-36H
InChIKeyCFQZGPAEDYQTMK-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-(2-carbazol-9-ylphenyl)-N-(2-dibenzothiophen-2-ylphenyl)-N-(3-naphthalen-1-ylphenyl)dibenzofuran-2-amine
CID 176608516
4-(4-carbazol-9-ylphenyl)-N-(4-dibenzofuran-4-ylphenyl)-N-naphthalen-1-yldibenzothiophen-2-amine
CID 176609970
4-(2-carbazol-9-ylphenyl)-N-(3-dibenzofuran-1-ylphenyl)-N-naphthalen-1-yldibenzofuran-2-amine
CID 176608195
4-(2-carbazol-9-ylphenyl)-N-(3-dibenzofuran-4-ylphenyl)-N-dibenzothiophen-4-yldibenzofuran-1-amine
CID 176608288
N-[3-[4-(2-carbazol-9-ylphenyl)phenyl]phenyl]-N-(4-dibenzofuran-4-ylphenyl)naphthalen-1-amine
CID 139544547
N-[2-(2-carbazol-9-ylphenyl)phenyl]-N-(3-dibenzofuran-4-ylphenyl)naphthalen-2-amine
CID 139544943
N-[4-[2-(2-carbazol-9-ylphenyl)phenyl]phenyl]-3-dibenzofuran-4-yl-N-phenylaniline;N-[4-[2-(2-carbazol-9-ylphenyl)phenyl]phenyl]-N-(3-dibenzofuran-4-ylphenyl)naphthalen-1-amine;N-[4-[2-(2-carbazol-9-ylphenyl)phenyl]phenyl]-N-(4-dibenzofuran-4-ylphenyl)-3-(4-phenylphenyl)aniline;N-[4-[2-(2-carbazol-9-ylphenyl)phenyl]phenyl]-N-(4-dibenzofuran-4-ylphenyl)-4-(4-phenylphenyl)aniline
CID 159361704
4-(3-carbazol-9-ylphenyl)-N-(3-dibenzofuran-4-ylphenyl)-N-(4-phenylphenyl)dibenzothiophen-2-amine
CID 176608780
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-(3-carbazol-9-ylphenyl)-N-(3-dibenzofuran-4-ylphenyl)-N-(4-naphthalen-2-ylphenyl)dibenzothiophen-2-amine
CID 176607918
N-(3-dibenzofuran-4-ylphenyl)-N-(3-dibenzothiophen-4-ylphenyl)dibenzofuran-1-amine
CID 165006539
4-[3-(2-carbazol-9-ylphenyl)phenyl]-N-[4-(3-dibenzofuran-4-ylphenyl)phenyl]-N-phenylaniline;N-[4-[3-(2-carbazol-9-ylphenyl)phenyl]phenyl]-N-[4-(3-dibenzofuran-4-ylphenyl)phenyl]naphthalen-1-amine;N-[4-[3-(2-carbazol-9-ylphenyl)phenyl]phenyl]-4-(4-dibenzofuran-4-ylphenyl)-N-[4-(3-phenylphenyl)phenyl]aniline
CID 157284109

Frequently Asked Questions

What is the IUPAC name of 4-(2-carbazol-9-ylphenyl)-N-(3-dibenzofuran-4-ylphenyl)-N-naphthalen-1-yldibenzothiophen-2-amine?
The IUPAC name of 4-(2-carbazol-9-ylphenyl)-N-(3-dibenzofuran-4-ylphenyl)-N-naphthalen-1-yldibenzothiophen-2-amine (CID 176608425) is 4-(2-carbazol-9-ylphenyl)-N-(3-dibenzofuran-4-ylphenyl)-N-naphthalen-1-yldibenzothiophen-2-amine.
What is the SMILES notation for 4-(2-carbazol-9-ylphenyl)-N-(3-dibenzofuran-4-ylphenyl)-N-naphthalen-1-yldibenzothiophen-2-amine?
The canonical SMILES for 4-(2-carbazol-9-ylphenyl)-N-(3-dibenzofuran-4-ylphenyl)-N-naphthalen-1-yldibenzothiophen-2-amine is c1cc(-c2cccc3c2oc2ccccc23)cc(N(c2cc(-c3ccccc3-n3c4ccccc4c4ccccc43)c3sc4ccccc4c3c2)c2cccc3ccccc23)c1.
What is the InChIKey of 4-(2-carbazol-9-ylphenyl)-N-(3-dibenzofuran-4-ylphenyl)-N-naphthalen-1-yldibenzothiophen-2-amine?
The InChIKey is CFQZGPAEDYQTMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H36N2OS/c1-2-20-41-37(16-1)17-14-31-51(41)59(39-19-13-18-38(34-39)42-26-15-27-48-46-24-6-11-32-55(46)61-57(42)48)40-35-49(58-50(36-40)47-25-7-12-33-56(47)62-58)45-23-5-10-30-54(45)60-52-28-8-3-21-43(52)44-22-4-9-29-53(44)60/h1-36H.
What are the key properties of 4-(2-carbazol-9-ylphenyl)-N-(3-dibenzofuran-4-ylphenyl)-N-naphthalen-1-yldibenzothiophen-2-amine?
4-(2-carbazol-9-ylphenyl)-N-(3-dibenzofuran-4-ylphenyl)-N-naphthalen-1-yldibenzothiophen-2-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-(3-dibenzofuran-4-ylphenyl)-N-naphthalen-1-yldibenzothiophen-2-amine is sourced from PubChem (CID 176608425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).