N-[4-[3-(2-carbazol-9-ylphenyl)phenyl]phenyl]-N-dibenzofuran-1-yldibenzofuran-1-amine

C54H34N2O2 — CID 167322500

IUPACN-[4-[3-(2-carbazol-9-ylphenyl)phenyl]phenyl]-N-dibenzofuran-1-yldibenzofuran-1-amine
SMILESc1cc(-c2ccc(N(c3cccc4oc5ccccc5c34)c3cccc4oc5ccccc5c34)cc2)cc(-c2ccccc2-n2c3ccccc3c3ccccc32)c1
InChIInChI=1S/C54H34N2O2/c1-6-21-44(56-45-22-7-2-17-40(45)41-18-3-8-23-46(41)56)39(16-1)37-15-11-14-36(34-37)35-30-32-38(33-31-35)55(47-24-12-28-51-53(47)42-19-4-9-26-49(42)57-51)48-25-13-29-52-54(48)43-20-5-10-27-50(43)58-52/h1-34H
InChIKeyVACQFADQWSKMLK-UHFFFAOYSA-N
MW742.88 g/mol
LogP15.39
Rot. Bonds6

About N-[4-[3-(2-carbazol-9-ylphenyl)phenyl]phenyl]-N-dibenzofuran-1-yldibenzofuran-1-amine

N-[4-[3-(2-carbazol-9-ylphenyl)phenyl]phenyl]-N-dibenzofuran-1-yldibenzofuran-1-amine (PubChem CID 167322500) has the molecular formula C54H34N2O2 and a molecular weight of 742.88 g/mol. Its IUPAC name is N-[4-[3-(2-carbazol-9-ylphenyl)phenyl]phenyl]-N-dibenzofuran-1-yldibenzofuran-1-amine.

Molecular Properties

Compound NameN-[4-[3-(2-carbazol-9-ylphenyl)phenyl]phenyl]-N-dibenzofuran-1-yldibenzofuran-1-amine
PubChem CID167322500
Molecular FormulaC54H34N2O2
Molecular Weight742.88 g/mol
Exact Mass742.26
IUPAC NameN-[4-[3-(2-carbazol-9-ylphenyl)phenyl]phenyl]-N-dibenzofuran-1-yldibenzofuran-1-amine
SMILESc1cc(-c2ccc(N(c3cccc4oc5ccccc5c34)c3cccc4oc5ccccc5c34)cc2)cc(-c2ccccc2-n2c3ccccc3c3ccccc32)c1
InChIInChI=1S/C54H34N2O2/c1-6-21-44(56-45-22-7-2-17-40(45)41-18-3-8-23-46(41)56)39(16-1)37-15-11-14-36(34-37)35-30-32-38(33-31-35)55(47-24-12-28-51-53(47)42-19-4-9-26-49(42)57-51)48-25-13-29-52-54(48)43-20-5-10-27-50(43)58-52/h1-34H
InChIKeyVACQFADQWSKMLK-UHFFFAOYSA-N
XLogP15.39
TPSA34.45 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500742.88
LogP ≤ 515.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(2-carbazol-9-ylphenyl)phenyl]-2-dibenzofuran-1-yl-N-[4-[3-[4-[9-[2-[4-(2-dibenzofuran-1-yl-N-[2-(2-phenylphenyl)phenyl]anilino)phenyl]phenyl]carbazol-2-yl]phenyl]phenyl]phenyl]aniline
CID 155398276
N-[4-(2-carbazol-9-ylphenyl)phenyl]-N-(3-dibenzofuran-1-ylphenyl)-3-phenylaniline
CID 155649338
N-[2-[3-(2-carbazol-9-ylphenyl)phenyl]phenyl]-N-(4-dibenzofuran-4-ylphenyl)-2-(4-phenylphenyl)aniline
CID 139544620
N-[4-[4-(2-carbazol-9-ylphenyl)phenyl]phenyl]-N-[4-(4-dibenzofuran-4-ylphenyl)phenyl]-2-(3-phenylphenyl)aniline
CID 139545263
N-[4-[3-(2-carbazol-9-ylphenyl)phenyl]phenyl]-N-dibenzothiophen-1-yldibenzofuran-4-amine
CID 167322750
N-[4-(2-carbazol-9-ylphenyl)phenyl]-4-(3-dibenzofuran-4-ylphenyl)-N-[4-(3-phenylphenyl)phenyl]aniline
CID 139545181
N-[4-(2-carbazol-9-ylphenyl)phenyl]-N-(4-dibenzofuran-3-ylphenyl)-2-(4-phenylphenyl)aniline
CID 153314946
N-[4-[3-(2-carbazol-9-ylphenyl)phenyl]phenyl]-N-(2-naphthalen-2-ylphenyl)dibenzofuran-4-amine
CID 167322251
N-(3-carbazol-9-ylphenyl)-N-[4-(3-phenylphenyl)phenyl]dibenzofuran-1-amine
CID 164822795
N-[4-(2-carbazol-9-ylphenyl)phenyl]-N-[4-(2-dibenzofuran-3-ylphenyl)phenyl]-3-(3-phenylphenyl)aniline
CID 153314841
N-(4-carbazol-9-ylphenyl)-N-[2-[5-phenyl-2-(2-phenylphenyl)phenyl]phenyl]dibenzofuran-1-amine
CID 172501190
N-[4-[3-(2-carbazol-9-ylphenyl)phenyl]phenyl]-N-phenyl-4-(4-phenylphenyl)aniline
CID 167322176

Frequently Asked Questions

What is the IUPAC name of N-[4-[3-(2-carbazol-9-ylphenyl)phenyl]phenyl]-N-dibenzofuran-1-yldibenzofuran-1-amine?
The IUPAC name of N-[4-[3-(2-carbazol-9-ylphenyl)phenyl]phenyl]-N-dibenzofuran-1-yldibenzofuran-1-amine (CID 167322500) is N-[4-[3-(2-carbazol-9-ylphenyl)phenyl]phenyl]-N-dibenzofuran-1-yldibenzofuran-1-amine.
What is the SMILES notation for N-[4-[3-(2-carbazol-9-ylphenyl)phenyl]phenyl]-N-dibenzofuran-1-yldibenzofuran-1-amine?
The canonical SMILES for N-[4-[3-(2-carbazol-9-ylphenyl)phenyl]phenyl]-N-dibenzofuran-1-yldibenzofuran-1-amine is c1cc(-c2ccc(N(c3cccc4oc5ccccc5c34)c3cccc4oc5ccccc5c34)cc2)cc(-c2ccccc2-n2c3ccccc3c3ccccc32)c1.
What is the InChIKey of N-[4-[3-(2-carbazol-9-ylphenyl)phenyl]phenyl]-N-dibenzofuran-1-yldibenzofuran-1-amine?
The InChIKey is VACQFADQWSKMLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H34N2O2/c1-6-21-44(56-45-22-7-2-17-40(45)41-18-3-8-23-46(41)56)39(16-1)37-15-11-14-36(34-37)35-30-32-38(33-31-35)55(47-24-12-28-51-53(47)42-19-4-9-26-49(42)57-51)48-25-13-29-52-54(48)43-20-5-10-27-50(43)58-52/h1-34H.
What are the key properties of N-[4-[3-(2-carbazol-9-ylphenyl)phenyl]phenyl]-N-dibenzofuran-1-yldibenzofuran-1-amine?
N-[4-[3-(2-carbazol-9-ylphenyl)phenyl]phenyl]-N-dibenzofuran-1-yldibenzofuran-1-amine has a molecular weight of 742.88 g/mol, XLogP of 15.39, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[3-(2-carbazol-9-ylphenyl)phenyl]phenyl]-N-dibenzofuran-1-yldibenzofuran-1-amine is sourced from PubChem (CID 167322500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).