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

C58H38N2O — CID 166565654

IUPACN-[4-(2-carbazol-9-ylphenyl)phenyl]-N-[4-(3-naphthalen-2-ylphenyl)phenyl]dibenzofuran-3-amine
SMILESc1cc(-c2ccc(N(c3ccc(-c4ccccc4-n4c5ccccc5c5ccccc54)cc3)c3ccc4c(c3)oc3ccccc34)cc2)cc(-c2ccc3ccccc3c2)c1
InChIInChI=1S/C58H38N2O/c1-2-13-42-37-45(25-24-39(42)12-1)44-15-11-14-43(36-44)40-26-30-46(31-27-40)59(48-34-35-53-52-19-6-10-23-57(52)61-58(53)38-48)47-32-28-41(29-33-47)49-16-3-7-20-54(49)60-55-21-8-4-17-50(55)51-18-5-9-22-56(51)60/h1-38H
InChIKeyYXRGBSVNZOIMIV-UHFFFAOYSA-N
MW778.96 g/mol
LogP16.31
Rot. Bonds7

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

N-[4-(2-carbazol-9-ylphenyl)phenyl]-N-[4-(3-naphthalen-2-ylphenyl)phenyl]dibenzofuran-3-amine (PubChem CID 166565654) has the molecular formula C58H38N2O and a molecular weight of 778.96 g/mol. Its IUPAC name is N-[4-(2-carbazol-9-ylphenyl)phenyl]-N-[4-(3-naphthalen-2-ylphenyl)phenyl]dibenzofuran-3-amine.

Molecular Properties

Compound NameN-[4-(2-carbazol-9-ylphenyl)phenyl]-N-[4-(3-naphthalen-2-ylphenyl)phenyl]dibenzofuran-3-amine
PubChem CID166565654
Molecular FormulaC58H38N2O
Molecular Weight778.96 g/mol
Exact Mass778.30
IUPAC NameN-[4-(2-carbazol-9-ylphenyl)phenyl]-N-[4-(3-naphthalen-2-ylphenyl)phenyl]dibenzofuran-3-amine
SMILESc1cc(-c2ccc(N(c3ccc(-c4ccccc4-n4c5ccccc5c5ccccc54)cc3)c3ccc4c(c3)oc3ccccc34)cc2)cc(-c2ccc3ccccc3c2)c1
InChIInChI=1S/C58H38N2O/c1-2-13-42-37-45(25-24-39(42)12-1)44-15-11-14-43(36-44)40-26-30-46(31-27-40)59(48-34-35-53-52-19-6-10-23-57(52)61-58(53)38-48)47-32-28-41(29-33-47)49-16-3-7-20-54(49)60-55-21-8-4-17-50(55)51-18-5-9-22-56(51)60/h1-38H
InChIKeyYXRGBSVNZOIMIV-UHFFFAOYSA-N
XLogP16.31
TPSA21.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms61
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500778.96
LogP ≤ 516.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-[3-(2-carbazol-9-ylphenyl)phenyl]phenyl]-N-(4-phenanthren-2-ylphenyl)dibenzofuran-3-amine
CID 167322658
N-[4-(2-carbazol-9-ylphenyl)phenyl]-N-(4-dibenzofuran-3-ylphenyl)naphthalen-2-amine
CID 153190885
N-[4-[4-(2-carbazol-9-ylphenyl)phenyl]phenyl]-N-(4-naphthalen-2-ylphenyl)dibenzofuran-2-amine
CID 167322367
N-[4-(2-carbazol-9-ylphenyl)phenyl]-N-[4-[4-(2-carbazol-9-ylphenyl)phenyl]phenyl]dibenzofuran-3-amine
CID 142416213
N-[4-[3-(2-carbazol-9-ylphenyl)phenyl]phenyl]-4-(4-dibenzofuran-4-ylphenyl)-N-(4-naphthalen-2-ylphenyl)aniline
CID 139545447
N-[4-(2-carbazol-9-ylphenyl)phenyl]-4-(4-dibenzofuran-1-ylphenyl)-N-(4-naphthalen-1-ylphenyl)aniline;N-[4-(2-carbazol-9-ylphenyl)phenyl]-4-(4-dibenzofuran-1-ylphenyl)-N-(4-naphthalen-2-ylphenyl)aniline;N-[4-(2-carbazol-9-ylphenyl)phenyl]-4-(4-dibenzofuran-1-ylphenyl)-N-[4-(3-phenylphenyl)phenyl]aniline
CID 162201420
N-[4-(2-carbazol-9-ylphenyl)phenyl]-4-(4-dibenzofuran-3-ylphenyl)-N-(4-naphthalen-1-ylphenyl)aniline;N-[4-(2-carbazol-9-ylphenyl)phenyl]-4-(4-dibenzofuran-3-ylphenyl)-N-(4-naphthalen-2-ylphenyl)aniline;N-[4-(2-carbazol-9-ylphenyl)phenyl]-N-[4-(4-dibenzofuran-3-ylphenyl)phenyl]-2-(4-phenylphenyl)aniline
CID 161394425
N-[4-(2-carbazol-9-ylphenyl)phenyl]-N-(3-dibenzofuran-3-ylphenyl)-3-phenylaniline
CID 153314590
N-[4-(2-carbazol-9-ylphenyl)phenyl]-N-[4-(2-dibenzofuran-3-ylphenyl)phenyl]-3-(3-phenylphenyl)aniline
CID 153314841
N-[4-(2-carbazol-9-ylphenyl)phenyl]-N-[4-(4-dibenzofuran-3-ylphenyl)phenyl]naphthalen-1-amine;N-[4-(2-carbazol-9-ylphenyl)phenyl]-N-[4-(4-dibenzofuran-3-ylphenyl)phenyl]naphthalen-2-amine;N-[4-(2-carbazol-9-ylphenyl)phenyl]-N-[4-(4-dibenzofuran-3-ylphenyl)phenyl]phenanthren-2-amine;N-[4-(2-carbazol-9-ylphenyl)phenyl]-N-[4-(4-dibenzofuran-3-ylphenyl)phenyl]phenanthren-9-amine
CID 158458035
N-[4-(2-carbazol-9-ylphenyl)phenyl]-3-dibenzofuran-3-yl-N-(4-phenanthren-9-ylphenyl)aniline
CID 153314732
4-[4-(2-carbazol-9-ylphenyl)phenyl]-N-[4-(3,5-diphenylphenyl)phenyl]-N-(4-naphthalen-2-ylphenyl)aniline
CID 167322678

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-carbazol-9-ylphenyl)phenyl]-N-[4-(3-naphthalen-2-ylphenyl)phenyl]dibenzofuran-3-amine?
The IUPAC name of N-[4-(2-carbazol-9-ylphenyl)phenyl]-N-[4-(3-naphthalen-2-ylphenyl)phenyl]dibenzofuran-3-amine (CID 166565654) is N-[4-(2-carbazol-9-ylphenyl)phenyl]-N-[4-(3-naphthalen-2-ylphenyl)phenyl]dibenzofuran-3-amine.
What is the SMILES notation for N-[4-(2-carbazol-9-ylphenyl)phenyl]-N-[4-(3-naphthalen-2-ylphenyl)phenyl]dibenzofuran-3-amine?
The canonical SMILES for N-[4-(2-carbazol-9-ylphenyl)phenyl]-N-[4-(3-naphthalen-2-ylphenyl)phenyl]dibenzofuran-3-amine is c1cc(-c2ccc(N(c3ccc(-c4ccccc4-n4c5ccccc5c5ccccc54)cc3)c3ccc4c(c3)oc3ccccc34)cc2)cc(-c2ccc3ccccc3c2)c1.
What is the InChIKey of N-[4-(2-carbazol-9-ylphenyl)phenyl]-N-[4-(3-naphthalen-2-ylphenyl)phenyl]dibenzofuran-3-amine?
The InChIKey is YXRGBSVNZOIMIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H38N2O/c1-2-13-42-37-45(25-24-39(42)12-1)44-15-11-14-43(36-44)40-26-30-46(31-27-40)59(48-34-35-53-52-19-6-10-23-57(52)61-58(53)38-48)47-32-28-41(29-33-47)49-16-3-7-20-54(49)60-55-21-8-4-17-50(55)51-18-5-9-22-56(51)60/h1-38H.
What are the key properties of N-[4-(2-carbazol-9-ylphenyl)phenyl]-N-[4-(3-naphthalen-2-ylphenyl)phenyl]dibenzofuran-3-amine?
N-[4-(2-carbazol-9-ylphenyl)phenyl]-N-[4-(3-naphthalen-2-ylphenyl)phenyl]dibenzofuran-3-amine has a molecular weight of 778.96 g/mol, XLogP of 16.31, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-carbazol-9-ylphenyl)phenyl]-N-[4-(3-naphthalen-2-ylphenyl)phenyl]dibenzofuran-3-amine is sourced from PubChem (CID 166565654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).