N-(3-carbazol-9-ylphenyl)-N-(3-naphtho[1,2-b][1]benzofuran-7-ylphenyl)dibenzofuran-1-amine

C52H32N2O2 — CID 169283939

IUPACN-(3-carbazol-9-ylphenyl)-N-(3-naphtho[1,2-b][1]benzofuran-7-ylphenyl)dibenzofuran-1-amine
SMILESc1cc(-c2cccc3oc4c5ccccc5ccc4c23)cc(N(c2cccc(-n3c4ccccc4c4ccccc43)c2)c2cccc3oc4ccccc4c23)c1
InChIInChI=1S/C52H32N2O2/c1-2-18-39-33(13-1)29-30-43-50-38(22-11-27-48(50)56-52(39)43)34-14-9-15-35(31-34)53(46-25-12-28-49-51(46)42-21-5-8-26-47(42)55-49)36-16-10-17-37(32-36)54-44-23-6-3-19-40(44)41-20-4-7-24-45(41)54/h1-32H
InChIKeyHONDOFVWYXNWQV-UHFFFAOYSA-N
MW716.84 g/mol
LogP14.87
Rot. Bonds5

About N-(3-carbazol-9-ylphenyl)-N-(3-naphtho[1,2-b][1]benzofuran-7-ylphenyl)dibenzofuran-1-amine

N-(3-carbazol-9-ylphenyl)-N-(3-naphtho[1,2-b][1]benzofuran-7-ylphenyl)dibenzofuran-1-amine (PubChem CID 169283939) has the molecular formula C52H32N2O2 and a molecular weight of 716.84 g/mol. Its IUPAC name is N-(3-carbazol-9-ylphenyl)-N-(3-naphtho[1,2-b][1]benzofuran-7-ylphenyl)dibenzofuran-1-amine.

Molecular Properties

Compound NameN-(3-carbazol-9-ylphenyl)-N-(3-naphtho[1,2-b][1]benzofuran-7-ylphenyl)dibenzofuran-1-amine
PubChem CID169283939
Molecular FormulaC52H32N2O2
Molecular Weight716.84 g/mol
Exact Mass716.25
IUPAC NameN-(3-carbazol-9-ylphenyl)-N-(3-naphtho[1,2-b][1]benzofuran-7-ylphenyl)dibenzofuran-1-amine
SMILESc1cc(-c2cccc3oc4c5ccccc5ccc4c23)cc(N(c2cccc(-n3c4ccccc4c4ccccc43)c2)c2cccc3oc4ccccc4c23)c1
InChIInChI=1S/C52H32N2O2/c1-2-18-39-33(13-1)29-30-43-50-38(22-11-27-48(50)56-52(39)43)34-14-9-15-35(31-34)53(46-25-12-28-49-51(46)42-21-5-8-26-47(42)55-49)36-16-10-17-37(32-36)54-44-23-6-3-19-40(44)41-20-4-7-24-45(41)54/h1-32H
InChIKeyHONDOFVWYXNWQV-UHFFFAOYSA-N
XLogP14.87
TPSA34.45 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500716.84
LogP ≤ 514.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-carbazol-9-ylphenyl)-N-(3-dibenzofuran-1-ylphenyl)naphthalen-1-amine
CID 155398283
N-(3-naphthalen-1-ylphenyl)-N-naphtho[1,2-b][1]benzofuran-7-yl-9-phenylcarbazol-2-amine
CID 171737636
N-(3-naphthalen-1-ylphenyl)-N-(3-naphtho[1,2-b][1]benzofuran-7-ylphenyl)dibenzofuran-1-amine
CID 167329983
N-(4-carbazol-9-ylphenyl)-N-(3-dibenzofuran-4-ylphenyl)naphtho[1,2-b][1]benzofuran-7-amine
CID 171737618
N-(3-carbazol-9-ylphenyl)-N-(4-dibenzofuran-4-ylphenyl)-3-naphtho[1,2-b][1]benzofuran-7-ylaniline
CID 163860911
N-(3-dibenzofuran-2-ylphenyl)-N-[3-(9-phenylcarbazol-4-yl)phenyl]naphtho[1,2-b][1]benzofuran-7-amine
CID 171738743
N-dibenzofuran-1-yl-N-[3-(9-phenylcarbazol-3-yl)phenyl]naphtho[1,2-b][1]benzofuran-7-amine
CID 171739037
N-(3-carbazol-9-ylphenyl)-2-dibenzofuran-1-yl-N-(3-phenanthren-2-ylphenyl)aniline
CID 155398314
N-(4-dibenzofuran-1-ylphenyl)-N-[4-(9-phenylcarbazol-3-yl)phenyl]naphtho[1,2-b][1]benzofuran-7-amine
CID 171738867
N-(3-dibenzofuran-1-ylphenyl)-N-(3,5-diphenylphenyl)naphtho[1,2-b][1]benzofuran-7-amine
CID 171739159
N-(3-dibenzofuran-1-ylphenyl)-N-(4-naphthalen-1-ylphenyl)naphtho[1,2-b][1]benzofuran-7-amine
CID 171738835
N-(3-carbazol-9-ylphenyl)-N-(3-dibenzofuran-1-ylphenyl)naphthalen-2-amine
CID 155398285

Frequently Asked Questions

What is the IUPAC name of N-(3-carbazol-9-ylphenyl)-N-(3-naphtho[1,2-b][1]benzofuran-7-ylphenyl)dibenzofuran-1-amine?
The IUPAC name of N-(3-carbazol-9-ylphenyl)-N-(3-naphtho[1,2-b][1]benzofuran-7-ylphenyl)dibenzofuran-1-amine (CID 169283939) is N-(3-carbazol-9-ylphenyl)-N-(3-naphtho[1,2-b][1]benzofuran-7-ylphenyl)dibenzofuran-1-amine.
What is the SMILES notation for N-(3-carbazol-9-ylphenyl)-N-(3-naphtho[1,2-b][1]benzofuran-7-ylphenyl)dibenzofuran-1-amine?
The canonical SMILES for N-(3-carbazol-9-ylphenyl)-N-(3-naphtho[1,2-b][1]benzofuran-7-ylphenyl)dibenzofuran-1-amine is c1cc(-c2cccc3oc4c5ccccc5ccc4c23)cc(N(c2cccc(-n3c4ccccc4c4ccccc43)c2)c2cccc3oc4ccccc4c23)c1.
What is the InChIKey of N-(3-carbazol-9-ylphenyl)-N-(3-naphtho[1,2-b][1]benzofuran-7-ylphenyl)dibenzofuran-1-amine?
The InChIKey is HONDOFVWYXNWQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H32N2O2/c1-2-18-39-33(13-1)29-30-43-50-38(22-11-27-48(50)56-52(39)43)34-14-9-15-35(31-34)53(46-25-12-28-49-51(46)42-21-5-8-26-47(42)55-49)36-16-10-17-37(32-36)54-44-23-6-3-19-40(44)41-20-4-7-24-45(41)54/h1-32H.
What are the key properties of N-(3-carbazol-9-ylphenyl)-N-(3-naphtho[1,2-b][1]benzofuran-7-ylphenyl)dibenzofuran-1-amine?
N-(3-carbazol-9-ylphenyl)-N-(3-naphtho[1,2-b][1]benzofuran-7-ylphenyl)dibenzofuran-1-amine has a molecular weight of 716.84 g/mol, XLogP of 14.87, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-carbazol-9-ylphenyl)-N-(3-naphtho[1,2-b][1]benzofuran-7-ylphenyl)dibenzofuran-1-amine is sourced from PubChem (CID 169283939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).