4-(2-carbazol-9-ylphenyl)-N-(3-dibenzofuran-4-ylphenyl)-N-dibenzothiophen-4-yldibenzofuran-1-amine

C60H36N2O2S — CID 176608288

IUPAC4-(2-carbazol-9-ylphenyl)-N-(3-dibenzofuran-4-ylphenyl)-N-dibenzothiophen-4-yldibenzofuran-1-amine
SMILESc1cc(-c2cccc3c2oc2ccccc23)cc(N(c2cccc3c2sc2ccccc23)c2ccc(-c3ccccc3-n3c4ccccc4c4ccccc43)c3oc4ccccc4c23)c1
InChIInChI=1S/C60H36N2O2S/c1-7-27-49-40(18-1)41-19-2-8-28-50(41)62(49)51-29-9-3-20-42(51)46-34-35-52(57-48-23-5-11-32-55(48)64-59(46)57)61(53-30-15-26-47-44-22-6-12-33-56(44)65-60(47)53)38-17-13-16-37(36-38)39-24-14-25-45-43-21-4-10-31-54(43)63-58(39)45/h1-36H
InChIKeyJVUPSIRPPXKPEZ-UHFFFAOYSA-N
MW849.03 g/mol
LogP17.75
Rot. Bonds6

About 4-(2-carbazol-9-ylphenyl)-N-(3-dibenzofuran-4-ylphenyl)-N-dibenzothiophen-4-yldibenzofuran-1-amine

4-(2-carbazol-9-ylphenyl)-N-(3-dibenzofuran-4-ylphenyl)-N-dibenzothiophen-4-yldibenzofuran-1-amine (PubChem CID 176608288) has the molecular formula C60H36N2O2S and a molecular weight of 849.03 g/mol. Its IUPAC name is 4-(2-carbazol-9-ylphenyl)-N-(3-dibenzofuran-4-ylphenyl)-N-dibenzothiophen-4-yldibenzofuran-1-amine.

Molecular Properties

Compound Name4-(2-carbazol-9-ylphenyl)-N-(3-dibenzofuran-4-ylphenyl)-N-dibenzothiophen-4-yldibenzofuran-1-amine
PubChem CID176608288
Molecular FormulaC60H36N2O2S
Molecular Weight849.03 g/mol
Exact Mass848.25
IUPAC Name4-(2-carbazol-9-ylphenyl)-N-(3-dibenzofuran-4-ylphenyl)-N-dibenzothiophen-4-yldibenzofuran-1-amine
SMILESc1cc(-c2cccc3c2oc2ccccc23)cc(N(c2cccc3c2sc2ccccc23)c2ccc(-c3ccccc3-n3c4ccccc4c4ccccc43)c3oc4ccccc4c23)c1
InChIInChI=1S/C60H36N2O2S/c1-7-27-49-40(18-1)41-19-2-8-28-50(41)62(49)51-29-9-3-20-42(51)46-34-35-52(57-48-23-5-11-32-55(48)64-59(46)57)61(53-30-15-26-47-44-22-6-12-33-56(44)65-60(47)53)38-17-13-16-37(36-38)39-24-14-25-45-43-21-4-10-31-54(43)63-58(39)45/h1-36H
InChIKeyJVUPSIRPPXKPEZ-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-(2-carbazol-9-ylphenyl)-N-(3-dibenzofuran-4-ylphenyl)-N-naphthalen-1-yldibenzothiophen-2-amine
CID 176608425
N-dibenzofuran-1-yl-N-[3-(9-phenylcarbazol-1-yl)phenyl]dibenzofuran-4-amine;bis(N-dibenzofuran-4-yl-6-phenyl-N-[3-(9-phenylcarbazol-1-yl)phenyl]dibenzofuran-4-amine);N-dibenzothiophen-4-yl-N-[4-(9-phenylcarbazol-1-yl)phenyl]dibenzothiophen-4-amine
CID 165040530
N-(3-dibenzofuran-4-ylphenyl)-N-(3-dibenzothiophen-4-ylphenyl)dibenzofuran-1-amine
CID 165006539
4-(3-carbazol-9-ylphenyl)-N-dibenzothiophen-1-yl-N-(4-dibenzothiophen-4-ylphenyl)dibenzofuran-1-amine
CID 176608909
N-(3-dibenzofuran-4-ylphenyl)-N-(4-dibenzofuran-1-ylphenyl)dibenzothiophen-4-amine
CID 164955400
4-(3-carbazol-9-ylphenyl)-N-dibenzothiophen-4-yl-N-phenanthren-9-yldibenzofuran-1-amine
CID 176610076
N-dibenzofuran-4-yl-6-phenyl-N-[3-(9-phenylcarbazol-1-yl)phenyl]dibenzofuran-4-amine;N-dibenzothiophen-1-yl-N-[3-(9-phenylcarbazol-1-yl)phenyl]dibenzofuran-4-amine;N-[3-(9-phenylcarbazol-1-yl)phenyl]-N-(6-phenyldibenzothiophen-4-yl)dibenzofuran-4-amine
CID 164991231
4-(3-carbazol-9-ylphenyl)-N-(4-dibenzofuran-4-ylphenyl)-N-dibenzothiophen-1-yldibenzofuran-1-amine
CID 176608293
N-[4-[2-(2-carbazol-9-ylphenyl)phenyl]phenyl]-N-(3-dibenzofuran-4-ylphenyl)-2-phenylaniline
CID 139544776
N-[4-(2-carbazol-9-ylphenyl)phenyl]-N-(3-dibenzofuran-4-ylphenyl)-2-(2-phenylphenyl)aniline
CID 139544519
N-[2-(2-carbazol-9-ylphenyl)phenyl]-N-(3-dibenzofuran-4-ylphenyl)naphthalen-2-amine
CID 139544943
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

Frequently Asked Questions

What is the IUPAC name of 4-(2-carbazol-9-ylphenyl)-N-(3-dibenzofuran-4-ylphenyl)-N-dibenzothiophen-4-yldibenzofuran-1-amine?
The IUPAC name of 4-(2-carbazol-9-ylphenyl)-N-(3-dibenzofuran-4-ylphenyl)-N-dibenzothiophen-4-yldibenzofuran-1-amine (CID 176608288) is 4-(2-carbazol-9-ylphenyl)-N-(3-dibenzofuran-4-ylphenyl)-N-dibenzothiophen-4-yldibenzofuran-1-amine.
What is the SMILES notation for 4-(2-carbazol-9-ylphenyl)-N-(3-dibenzofuran-4-ylphenyl)-N-dibenzothiophen-4-yldibenzofuran-1-amine?
The canonical SMILES for 4-(2-carbazol-9-ylphenyl)-N-(3-dibenzofuran-4-ylphenyl)-N-dibenzothiophen-4-yldibenzofuran-1-amine is c1cc(-c2cccc3c2oc2ccccc23)cc(N(c2cccc3c2sc2ccccc23)c2ccc(-c3ccccc3-n3c4ccccc4c4ccccc43)c3oc4ccccc4c23)c1.
What is the InChIKey of 4-(2-carbazol-9-ylphenyl)-N-(3-dibenzofuran-4-ylphenyl)-N-dibenzothiophen-4-yldibenzofuran-1-amine?
The InChIKey is JVUPSIRPPXKPEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H36N2O2S/c1-7-27-49-40(18-1)41-19-2-8-28-50(41)62(49)51-29-9-3-20-42(51)46-34-35-52(57-48-23-5-11-32-55(48)64-59(46)57)61(53-30-15-26-47-44-22-6-12-33-56(44)65-60(47)53)38-17-13-16-37(36-38)39-24-14-25-45-43-21-4-10-31-54(43)63-58(39)45/h1-36H.
What are the key properties of 4-(2-carbazol-9-ylphenyl)-N-(3-dibenzofuran-4-ylphenyl)-N-dibenzothiophen-4-yldibenzofuran-1-amine?
4-(2-carbazol-9-ylphenyl)-N-(3-dibenzofuran-4-ylphenyl)-N-dibenzothiophen-4-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-(2-carbazol-9-ylphenyl)-N-(3-dibenzofuran-4-ylphenyl)-N-dibenzothiophen-4-yldibenzofuran-1-amine is sourced from PubChem (CID 176608288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).