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

C58H36N2O2 — CID 176608424

IUPAC4-(4-carbazol-9-ylphenyl)-N-(4-dibenzofuran-1-ylphenyl)-N-naphthalen-1-yldibenzofuran-3-amine
SMILESc1ccc2c(N(c3ccc(-c4cccc5oc6ccccc6c45)cc3)c3ccc4c(oc5ccccc54)c3-c3ccc(-n4c5ccccc5c5ccccc54)cc3)cccc2c1
InChIInChI=1S/C58H36N2O2/c1-2-15-42-37(13-1)14-11-23-49(42)60(41-31-27-38(28-32-41)43-20-12-26-55-57(43)48-19-6-10-25-54(48)61-55)52-36-35-47-46-18-5-9-24-53(46)62-58(47)56(52)39-29-33-40(34-30-39)59-50-21-7-3-16-44(50)45-17-4-8-22-51(45)59/h1-36H
InChIKeyLRTLCELWALDBAY-UHFFFAOYSA-N
MW792.94 g/mol
LogP16.54
Rot. Bonds6

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

4-(4-carbazol-9-ylphenyl)-N-(4-dibenzofuran-1-ylphenyl)-N-naphthalen-1-yldibenzofuran-3-amine (PubChem CID 176608424) has the molecular formula C58H36N2O2 and a molecular weight of 792.94 g/mol. Its IUPAC name is 4-(4-carbazol-9-ylphenyl)-N-(4-dibenzofuran-1-ylphenyl)-N-naphthalen-1-yldibenzofuran-3-amine.

Molecular Properties

Compound Name4-(4-carbazol-9-ylphenyl)-N-(4-dibenzofuran-1-ylphenyl)-N-naphthalen-1-yldibenzofuran-3-amine
PubChem CID176608424
Molecular FormulaC58H36N2O2
Molecular Weight792.94 g/mol
Exact Mass792.28
IUPAC Name4-(4-carbazol-9-ylphenyl)-N-(4-dibenzofuran-1-ylphenyl)-N-naphthalen-1-yldibenzofuran-3-amine
SMILESc1ccc2c(N(c3ccc(-c4cccc5oc6ccccc6c45)cc3)c3ccc4c(oc5ccccc54)c3-c3ccc(-n4c5ccccc5c5ccccc54)cc3)cccc2c1
InChIInChI=1S/C58H36N2O2/c1-2-15-42-37(13-1)14-11-23-49(42)60(41-31-27-38(28-32-41)43-20-12-26-55-57(43)48-19-6-10-25-54(48)61-55)52-36-35-47-46-18-5-9-24-53(46)62-58(47)56(52)39-29-33-40(34-30-39)59-50-21-7-3-16-44(50)45-17-4-8-22-51(45)59/h1-36H
InChIKeyLRTLCELWALDBAY-UHFFFAOYSA-N
XLogP16.54
TPSA34.45 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500792.94
LogP ≤ 516.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-(4-carbazol-9-ylphenyl)-N-(3-dibenzofuran-1-ylphenyl)-N-naphthalen-1-yldibenzofuran-3-amine
CID 176608726
4-(4-carbazol-9-ylphenyl)-N-(2-dibenzofuran-4-ylphenyl)-N-(4-naphthalen-1-ylphenyl)dibenzofuran-3-amine
CID 176608527
4-(4-carbazol-9-ylphenyl)-N-(4-naphthalen-1-ylphenyl)-N-(4-phenylphenyl)dibenzofuran-3-amine
CID 176608752
N-[4-(4-carbazol-9-ylphenyl)phenyl]-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]dibenzofuran-4-amine
CID 172501663
N-(4-carbazol-9-ylphenyl)-N-[2-[2-[2-(4-phenylphenyl)phenyl]phenyl]phenyl]dibenzofuran-4-amine
CID 172502401
4-(4-carbazol-9-ylphenyl)-N-(3-dibenzofuran-1-ylphenyl)-N-(9,9-dimethylfluoren-1-yl)dibenzofuran-3-amine
CID 176609471
4-(4-carbazol-9-ylphenyl)-N,N-diphenyldibenzofuran-3-amine
CID 176609874
4-(4-carbazol-9-ylphenyl)-N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-N-(2-naphthalen-1-ylphenyl)dibenzofuran-3-amine
CID 176608690
N-(4-carbazol-9-ylphenyl)-N-(2-naphtho[1,2-b][1]benzofuran-7-ylphenyl)naphthalen-1-amine
CID 167329843
N-[4-(4-carbazol-9-ylphenyl)phenyl]-N-(2-dibenzofuran-4-ylphenyl)-2-phenylaniline
CID 164822828
N-[4-(4-carbazol-9-ylphenyl)phenyl]-N-(4-dibenzofuran-1-ylphenyl)-2-(2-phenylphenyl)aniline
CID 155398224
4-(4-carbazol-9-ylphenyl)-N-(3-phenanthren-2-ylphenyl)-N-phenyldibenzofuran-3-amine
CID 176608220

Frequently Asked Questions

What is the IUPAC name of 4-(4-carbazol-9-ylphenyl)-N-(4-dibenzofuran-1-ylphenyl)-N-naphthalen-1-yldibenzofuran-3-amine?
The IUPAC name of 4-(4-carbazol-9-ylphenyl)-N-(4-dibenzofuran-1-ylphenyl)-N-naphthalen-1-yldibenzofuran-3-amine (CID 176608424) is 4-(4-carbazol-9-ylphenyl)-N-(4-dibenzofuran-1-ylphenyl)-N-naphthalen-1-yldibenzofuran-3-amine.
What is the SMILES notation for 4-(4-carbazol-9-ylphenyl)-N-(4-dibenzofuran-1-ylphenyl)-N-naphthalen-1-yldibenzofuran-3-amine?
The canonical SMILES for 4-(4-carbazol-9-ylphenyl)-N-(4-dibenzofuran-1-ylphenyl)-N-naphthalen-1-yldibenzofuran-3-amine is c1ccc2c(N(c3ccc(-c4cccc5oc6ccccc6c45)cc3)c3ccc4c(oc5ccccc54)c3-c3ccc(-n4c5ccccc5c5ccccc54)cc3)cccc2c1.
What is the InChIKey of 4-(4-carbazol-9-ylphenyl)-N-(4-dibenzofuran-1-ylphenyl)-N-naphthalen-1-yldibenzofuran-3-amine?
The InChIKey is LRTLCELWALDBAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H36N2O2/c1-2-15-42-37(13-1)14-11-23-49(42)60(41-31-27-38(28-32-41)43-20-12-26-55-57(43)48-19-6-10-25-54(48)61-55)52-36-35-47-46-18-5-9-24-53(46)62-58(47)56(52)39-29-33-40(34-30-39)59-50-21-7-3-16-44(50)45-17-4-8-22-51(45)59/h1-36H.
What are the key properties of 4-(4-carbazol-9-ylphenyl)-N-(4-dibenzofuran-1-ylphenyl)-N-naphthalen-1-yldibenzofuran-3-amine?
4-(4-carbazol-9-ylphenyl)-N-(4-dibenzofuran-1-ylphenyl)-N-naphthalen-1-yldibenzofuran-3-amine has a molecular weight of 792.94 g/mol, XLogP of 16.54, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-carbazol-9-ylphenyl)-N-(4-dibenzofuran-1-ylphenyl)-N-naphthalen-1-yldibenzofuran-3-amine is sourced from PubChem (CID 176608424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).