4-(3-carbazol-9-ylphenyl)-N-(4-dibenzofuran-4-ylphenyl)-N-dibenzothiophen-1-yldibenzofuran-1-amine

C60H36N2O2S — CID 176608293

IUPAC4-(3-carbazol-9-ylphenyl)-N-(4-dibenzofuran-4-ylphenyl)-N-dibenzothiophen-1-yldibenzofuran-1-amine
SMILESc1cc(-c2ccc(N(c3ccc(-c4cccc5c4oc4ccccc45)cc3)c3cccc4sc5ccccc5c34)c3c2oc2ccccc23)cc(-n2c3ccccc3c3ccccc32)c1
InChIInChI=1S/C60H36N2O2S/c1-6-23-49-43(16-1)44-17-2-7-24-50(44)62(49)40-15-11-14-38(36-40)42-34-35-52(58-47-19-4-9-27-54(47)64-60(42)58)61(51-25-13-29-56-57(51)48-20-5-10-28-55(48)65-56)39-32-30-37(31-33-39)41-21-12-22-46-45-18-3-8-26-53(45)63-59(41)46/h1-36H
InChIKeyDJIIHCRISXHFHP-UHFFFAOYSA-N
MW849.03 g/mol
LogP17.75
Rot. Bonds6

About 4-(3-carbazol-9-ylphenyl)-N-(4-dibenzofuran-4-ylphenyl)-N-dibenzothiophen-1-yldibenzofuran-1-amine

4-(3-carbazol-9-ylphenyl)-N-(4-dibenzofuran-4-ylphenyl)-N-dibenzothiophen-1-yldibenzofuran-1-amine (PubChem CID 176608293) has the molecular formula C60H36N2O2S and a molecular weight of 849.03 g/mol. Its IUPAC name is 4-(3-carbazol-9-ylphenyl)-N-(4-dibenzofuran-4-ylphenyl)-N-dibenzothiophen-1-yldibenzofuran-1-amine.

Molecular Properties

Compound Name4-(3-carbazol-9-ylphenyl)-N-(4-dibenzofuran-4-ylphenyl)-N-dibenzothiophen-1-yldibenzofuran-1-amine
PubChem CID176608293
Molecular FormulaC60H36N2O2S
Molecular Weight849.03 g/mol
Exact Mass848.25
IUPAC Name4-(3-carbazol-9-ylphenyl)-N-(4-dibenzofuran-4-ylphenyl)-N-dibenzothiophen-1-yldibenzofuran-1-amine
SMILESc1cc(-c2ccc(N(c3ccc(-c4cccc5c4oc4ccccc45)cc3)c3cccc4sc5ccccc5c34)c3c2oc2ccccc23)cc(-n2c3ccccc3c3ccccc32)c1
InChIInChI=1S/C60H36N2O2S/c1-6-23-49-43(16-1)44-17-2-7-24-50(44)62(49)40-15-11-14-38(36-40)42-34-35-52(58-47-19-4-9-27-54(47)64-60(42)58)61(51-25-13-29-56-57(51)48-20-5-10-28-55(48)65-56)39-32-30-37(31-33-39)41-21-12-22-46-45-18-3-8-26-53(45)63-59(41)46/h1-36H
InChIKeyDJIIHCRISXHFHP-UHFFFAOYSA-N
XLogP17.75
TPSA34.45 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms65
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500849.03
LogP ≤ 517.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-(3-carbazol-9-ylphenyl)-N-dibenzothiophen-1-yl-N-(4-dibenzothiophen-4-ylphenyl)dibenzofuran-1-amine
CID 176608909
4-(3-carbazol-9-ylphenyl)-N-dibenzofuran-4-yl-N-(4-dibenzofuran-4-ylphenyl)dibenzofuran-1-amine
CID 176609625
4-(3-carbazol-9-ylphenyl)-N-naphthalen-1-yl-N-(4-naphthalen-1-ylphenyl)dibenzofuran-1-amine
CID 176609990
4-(3-carbazol-9-ylphenyl)-N-(3-dibenzothiophen-2-ylphenyl)-N-(4-phenylphenyl)dibenzofuran-1-amine
CID 176608773
N-[4-[3-(2-carbazol-9-ylphenyl)phenyl]phenyl]-N-dibenzothiophen-1-yldibenzofuran-4-amine
CID 167322750
2-carbazol-9-yl-N-(4-dibenzothiophen-1-ylphenyl)-N-(4-phenylphenyl)aniline;3-carbazol-9-yl-N-(4-dibenzothiophen-1-ylphenyl)-N-(4-phenylphenyl)aniline;N-(2-carbazol-9-ylphenyl)-N-(4-dibenzofuran-4-ylphenyl)naphthalen-1-amine;N-[4-(2-carbazol-9-ylphenyl)phenyl]-N-(4-dibenzofuran-4-ylphenyl)naphthalen-1-amine;N-[4-(3-carbazol-9-ylphenyl)phenyl]-N-(4-dibenzofuran-4-ylphenyl)naphthalen-1-amine;N-[4-(2-carbazol-9-ylphenyl)phenyl]-N-(4-dibenzothiophen-1-ylphenyl)-4-phenylaniline;N-[4-(3-carbazol-9-ylphenyl)phenyl]-N-(4-dibenzothiophen-1-ylphenyl)-4-phenylaniline
CID 163883731
4-(4-carbazol-9-ylphenyl)-N-(4-dibenzofuran-4-ylphenyl)-N-phenyldibenzothiophen-1-amine
CID 176608553
N-(4-dibenzofuran-4-ylphenyl)-N-(4-dibenzothiophen-1-ylphenyl)dibenzothiophen-1-amine
CID 164968895
N-(4-dibenzofuran-4-ylphenyl)-N-phenyldibenzothiophen-1-amine
CID 167329288
N-[4-(3-carbazol-9-ylphenyl)phenyl]-N-dibenzothiophen-1-yl-4-phenyl-6,7-dihydrodibenzofuran-1-amine
CID 163880777
4-(3-carbazol-9-ylphenyl)-N-(4-dibenzofuran-1-ylphenyl)-N-(4-naphthalen-1-ylphenyl)dibenzofuran-1-amine
CID 176609708
N-phenyl-N-[4-[2-(3-phenylcarbazol-9-yl)dibenzofuran-4-yl]phenyl]dibenzothiophen-1-amine
CID 156521073

Frequently Asked Questions

What is the IUPAC name of 4-(3-carbazol-9-ylphenyl)-N-(4-dibenzofuran-4-ylphenyl)-N-dibenzothiophen-1-yldibenzofuran-1-amine?
The IUPAC name of 4-(3-carbazol-9-ylphenyl)-N-(4-dibenzofuran-4-ylphenyl)-N-dibenzothiophen-1-yldibenzofuran-1-amine (CID 176608293) is 4-(3-carbazol-9-ylphenyl)-N-(4-dibenzofuran-4-ylphenyl)-N-dibenzothiophen-1-yldibenzofuran-1-amine.
What is the SMILES notation for 4-(3-carbazol-9-ylphenyl)-N-(4-dibenzofuran-4-ylphenyl)-N-dibenzothiophen-1-yldibenzofuran-1-amine?
The canonical SMILES for 4-(3-carbazol-9-ylphenyl)-N-(4-dibenzofuran-4-ylphenyl)-N-dibenzothiophen-1-yldibenzofuran-1-amine is c1cc(-c2ccc(N(c3ccc(-c4cccc5c4oc4ccccc45)cc3)c3cccc4sc5ccccc5c34)c3c2oc2ccccc23)cc(-n2c3ccccc3c3ccccc32)c1.
What is the InChIKey of 4-(3-carbazol-9-ylphenyl)-N-(4-dibenzofuran-4-ylphenyl)-N-dibenzothiophen-1-yldibenzofuran-1-amine?
The InChIKey is DJIIHCRISXHFHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H36N2O2S/c1-6-23-49-43(16-1)44-17-2-7-24-50(44)62(49)40-15-11-14-38(36-40)42-34-35-52(58-47-19-4-9-27-54(47)64-60(42)58)61(51-25-13-29-56-57(51)48-20-5-10-28-55(48)65-56)39-32-30-37(31-33-39)41-21-12-22-46-45-18-3-8-26-53(45)63-59(41)46/h1-36H.
What are the key properties of 4-(3-carbazol-9-ylphenyl)-N-(4-dibenzofuran-4-ylphenyl)-N-dibenzothiophen-1-yldibenzofuran-1-amine?
4-(3-carbazol-9-ylphenyl)-N-(4-dibenzofuran-4-ylphenyl)-N-dibenzothiophen-1-yldibenzofuran-1-amine has a molecular weight of 849.03 g/mol, XLogP of 17.75, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-carbazol-9-ylphenyl)-N-(4-dibenzofuran-4-ylphenyl)-N-dibenzothiophen-1-yldibenzofuran-1-amine is sourced from PubChem (CID 176608293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).