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

C60H36N2O2S — CID 176607995

IUPAC4-(4-carbazol-9-ylphenyl)-N-dibenzofuran-3-yl-N-(3-dibenzothiophen-2-ylphenyl)dibenzofuran-1-amine
SMILESc1cc(-c2ccc3sc4ccccc4c3c2)cc(N(c2ccc3c(c2)oc2ccccc23)c2ccc(-c3ccc(-n4c5ccccc5c5ccccc54)cc3)c3oc4ccccc4c23)c1
InChIInChI=1S/C60H36N2O2S/c1-6-19-51-44(14-1)45-15-2-7-20-52(45)62(51)40-27-24-37(25-28-40)43-31-32-53(59-49-18-4-9-22-55(49)64-60(43)59)61(42-29-30-47-46-16-3-8-21-54(46)63-56(47)36-42)41-13-11-12-38(34-41)39-26-33-58-50(35-39)48-17-5-10-23-57(48)65-58/h1-36H
InChIKeyAWGZLPASMMYVGL-UHFFFAOYSA-N
MW849.03 g/mol
LogP17.75
Rot. Bonds6

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

4-(4-carbazol-9-ylphenyl)-N-dibenzofuran-3-yl-N-(3-dibenzothiophen-2-ylphenyl)dibenzofuran-1-amine (PubChem CID 176607995) has the molecular formula C60H36N2O2S and a molecular weight of 849.03 g/mol. Its IUPAC name is 4-(4-carbazol-9-ylphenyl)-N-dibenzofuran-3-yl-N-(3-dibenzothiophen-2-ylphenyl)dibenzofuran-1-amine.

Molecular Properties

Compound Name4-(4-carbazol-9-ylphenyl)-N-dibenzofuran-3-yl-N-(3-dibenzothiophen-2-ylphenyl)dibenzofuran-1-amine
PubChem CID176607995
Molecular FormulaC60H36N2O2S
Molecular Weight849.03 g/mol
Exact Mass848.25
IUPAC Name4-(4-carbazol-9-ylphenyl)-N-dibenzofuran-3-yl-N-(3-dibenzothiophen-2-ylphenyl)dibenzofuran-1-amine
SMILESc1cc(-c2ccc3sc4ccccc4c3c2)cc(N(c2ccc3c(c2)oc2ccccc23)c2ccc(-c3ccc(-n4c5ccccc5c5ccccc54)cc3)c3oc4ccccc4c23)c1
InChIInChI=1S/C60H36N2O2S/c1-6-19-51-44(14-1)45-15-2-7-20-52(45)62(51)40-27-24-37(25-28-40)43-31-32-53(59-49-18-4-9-22-55(49)64-60(43)59)61(42-29-30-47-46-16-3-8-21-54(46)63-56(47)36-42)41-13-11-12-38(34-41)39-26-33-58-50(35-39)48-17-5-10-23-57(48)65-58/h1-36H
InChIKeyAWGZLPASMMYVGL-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-(4-carbazol-9-ylphenyl)-N-(3-dibenzothiophen-2-ylphenyl)-N-phenanthren-9-yldibenzofuran-1-amine
CID 176608292
4-(3-carbazol-9-ylphenyl)-N-(3-dibenzothiophen-2-ylphenyl)-N-(4-phenylphenyl)dibenzofuran-1-amine
CID 176608773
4-(4-carbazol-9-ylphenyl)-N-(2-dibenzothiophen-2-ylphenyl)-N-(3-naphthalen-1-ylphenyl)dibenzofuran-1-amine
CID 176607823
N-dibenzofuran-4-yl-N-[3-(3-dibenzothiophen-2-ylphenyl)phenyl]-9-phenylcarbazol-2-amine
CID 168814711
N-[3-(4-carbazol-9-ylphenyl)phenyl]-N-dibenzothiophen-3-yldibenzofuran-3-amine
CID 147244332
N-(4-carbazol-9-ylphenyl)-N-(3-dibenzothiophen-2-ylphenyl)naphtho[1,2-b][1]benzofuran-7-amine
CID 171737951
4-(4-carbazol-9-ylphenyl)-N-(3-dibenzothiophen-2-ylphenyl)-N-phenanthren-1-yldibenzofuran-2-amine
CID 176608109
4-(4-carbazol-9-ylphenyl)-N,N-diphenyldibenzofuran-1-amine
CID 176608271
N-dibenzofuran-3-yl-3-dibenzothiophen-2-yl-9-phenyl-N-(4-phenylphenyl)carbazol-2-amine
CID 164976974
3-carbazol-9-yl-N-(4-dibenzofuran-4-ylphenyl)-N-[4-(9-phenylfluoren-9-yl)phenyl]aniline;N-(4-carbazol-9-ylphenyl)-4-dibenzofuran-2-yl-N-[4-(9-phenylfluoren-9-yl)phenyl]naphthalen-1-amine;N-(4-carbazol-9-ylphenyl)-3-dibenzothiophen-2-yl-N-[4-(9-phenylfluoren-9-yl)phenyl]aniline
CID 158939425
N-[4-[4-(N-dibenzothiophen-2-ylanilino)naphthalen-1-yl]phenyl]-N-phenyldibenzofuran-3-amine
CID 153299753
3-N-[3-(9-dibenzofuran-3-ylcarbazol-2-yl)phenyl]-3-N-dibenzothiophen-1-yl-1-N-phenyl-1-N-(4-phenylnaphthalen-1-yl)benzene-1,3-diamine;3-N-dibenzothiophen-4-yl-3-N-[3-(9-phenylcarbazol-2-yl)phenyl]-1-N-(4-phenylphenyl)-1-N-[4-(4-phenylphenyl)phenyl]benzene-1,3-diamine;1-N,1-N,3-N,5-tetraphenyl-3-N-[3-(9-phenylcarbazol-2-yl)phenyl]benzene-1,3-diamine
CID 159457155

Frequently Asked Questions

What is the IUPAC name of 4-(4-carbazol-9-ylphenyl)-N-dibenzofuran-3-yl-N-(3-dibenzothiophen-2-ylphenyl)dibenzofuran-1-amine?
The IUPAC name of 4-(4-carbazol-9-ylphenyl)-N-dibenzofuran-3-yl-N-(3-dibenzothiophen-2-ylphenyl)dibenzofuran-1-amine (CID 176607995) is 4-(4-carbazol-9-ylphenyl)-N-dibenzofuran-3-yl-N-(3-dibenzothiophen-2-ylphenyl)dibenzofuran-1-amine.
What is the SMILES notation for 4-(4-carbazol-9-ylphenyl)-N-dibenzofuran-3-yl-N-(3-dibenzothiophen-2-ylphenyl)dibenzofuran-1-amine?
The canonical SMILES for 4-(4-carbazol-9-ylphenyl)-N-dibenzofuran-3-yl-N-(3-dibenzothiophen-2-ylphenyl)dibenzofuran-1-amine is c1cc(-c2ccc3sc4ccccc4c3c2)cc(N(c2ccc3c(c2)oc2ccccc23)c2ccc(-c3ccc(-n4c5ccccc5c5ccccc54)cc3)c3oc4ccccc4c23)c1.
What is the InChIKey of 4-(4-carbazol-9-ylphenyl)-N-dibenzofuran-3-yl-N-(3-dibenzothiophen-2-ylphenyl)dibenzofuran-1-amine?
The InChIKey is AWGZLPASMMYVGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H36N2O2S/c1-6-19-51-44(14-1)45-15-2-7-20-52(45)62(51)40-27-24-37(25-28-40)43-31-32-53(59-49-18-4-9-22-55(49)64-60(43)59)61(42-29-30-47-46-16-3-8-21-54(46)63-56(47)36-42)41-13-11-12-38(34-41)39-26-33-58-50(35-39)48-17-5-10-23-57(48)65-58/h1-36H.
What are the key properties of 4-(4-carbazol-9-ylphenyl)-N-dibenzofuran-3-yl-N-(3-dibenzothiophen-2-ylphenyl)dibenzofuran-1-amine?
4-(4-carbazol-9-ylphenyl)-N-dibenzofuran-3-yl-N-(3-dibenzothiophen-2-ylphenyl)dibenzofuran-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-(4-carbazol-9-ylphenyl)-N-dibenzofuran-3-yl-N-(3-dibenzothiophen-2-ylphenyl)dibenzofuran-1-amine is sourced from PubChem (CID 176607995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).