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

C58H38N2O — CID 153314840

IUPACN-[4-[3-(3-carbazol-9-ylphenyl)phenyl]phenyl]-N-(3-dibenzofuran-3-ylphenyl)naphthalen-1-amine
SMILESc1cc(-c2ccc(N(c3cccc(-c4ccc5c(c4)oc4ccccc45)c3)c3cccc4ccccc34)cc2)cc(-c2cccc(-n3c4ccccc4c4ccccc43)c2)c1
InChIInChI=1S/C58H38N2O/c1-2-21-49-40(13-1)14-12-27-54(49)59(47-19-10-18-44(36-47)45-31-34-53-52-24-5-8-28-57(52)61-58(53)38-45)46-32-29-39(30-33-46)41-15-9-16-42(35-41)43-17-11-20-48(37-43)60-55-25-6-3-22-50(55)51-23-4-7-26-56(51)60/h1-38H
InChIKeyBPCUPYIKEPOABU-UHFFFAOYSA-N
MW778.96 g/mol
LogP16.31
Rot. Bonds7

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

N-[4-[3-(3-carbazol-9-ylphenyl)phenyl]phenyl]-N-(3-dibenzofuran-3-ylphenyl)naphthalen-1-amine (PubChem CID 153314840) has the molecular formula C58H38N2O and a molecular weight of 778.96 g/mol. Its IUPAC name is N-[4-[3-(3-carbazol-9-ylphenyl)phenyl]phenyl]-N-(3-dibenzofuran-3-ylphenyl)naphthalen-1-amine.

Molecular Properties

Compound NameN-[4-[3-(3-carbazol-9-ylphenyl)phenyl]phenyl]-N-(3-dibenzofuran-3-ylphenyl)naphthalen-1-amine
PubChem CID153314840
Molecular FormulaC58H38N2O
Molecular Weight778.96 g/mol
Exact Mass778.30
IUPAC NameN-[4-[3-(3-carbazol-9-ylphenyl)phenyl]phenyl]-N-(3-dibenzofuran-3-ylphenyl)naphthalen-1-amine
SMILESc1cc(-c2ccc(N(c3cccc(-c4ccc5c(c4)oc4ccccc45)c3)c3cccc4ccccc34)cc2)cc(-c2cccc(-n3c4ccccc4c4ccccc43)c2)c1
InChIInChI=1S/C58H38N2O/c1-2-21-49-40(13-1)14-12-27-54(49)59(47-19-10-18-44(36-47)45-31-34-53-52-24-5-8-28-57(52)61-58(53)38-45)46-32-29-39(30-33-46)41-15-9-16-42(35-41)43-17-11-20-48(37-43)60-55-25-6-3-22-50(55)51-23-4-7-26-56(51)60/h1-38H
InChIKeyBPCUPYIKEPOABU-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-(3-carbazol-9-ylphenyl)-N-[4-(3-dibenzofuran-3-ylphenyl)phenyl]naphthalen-1-amine
CID 148923282
N-[4-[3-(3-carbazol-9-ylphenyl)phenyl]phenyl]-3-dibenzofuran-3-yl-N-[4-(3-phenylphenyl)phenyl]aniline
CID 153012599
N-[4-[4-(3-carbazol-9-ylphenyl)phenyl]phenyl]-2-dibenzofuran-3-yl-N-(3-phenanthren-2-ylphenyl)aniline
CID 153314580
N-[4-(3-carbazol-9-ylphenyl)phenyl]-3-(4-dibenzofuran-3-ylphenyl)-N-(4-phenylphenyl)aniline
CID 147399536
N-[4-(3-carbazol-9-ylphenyl)phenyl]-N-(4-dibenzofuran-3-ylphenyl)-3-naphthalen-2-ylaniline
CID 146578847
N-[4-[4-(3-carbazol-9-ylphenyl)phenyl]phenyl]-3-dibenzofuran-3-yl-N-(4-naphthalen-2-ylphenyl)aniline
CID 153315011
N-(3-carbazol-9-ylphenyl)-N-(4-dibenzofuran-3-ylphenyl)-3-(3-phenylphenyl)aniline
CID 153315131
4-(3-carbazol-9-ylphenyl)-N-(4-dibenzofuran-3-ylphenyl)-N-(4-phenanthren-2-ylphenyl)aniline;N-[4-(3-carbazol-9-ylphenyl)phenyl]-N-(4-dibenzofuran-3-ylphenyl)-3-phenanthren-2-ylaniline;N-[4-(3-carbazol-9-ylphenyl)phenyl]-N-(4-dibenzofuran-3-ylphenyl)-2-(4-phenylphenyl)aniline;N-[4-(3-carbazol-9-ylphenyl)phenyl]-N-(4-dibenzofuran-3-ylphenyl)-3-(4-phenylphenyl)aniline
CID 158530680
N-[4-[4-(3-carbazol-9-ylphenyl)phenyl]phenyl]-2-dibenzofuran-3-yl-N-(2-naphthalen-1-ylphenyl)aniline;N-[4-[4-(3-carbazol-9-ylphenyl)phenyl]phenyl]-N-(2-dibenzofuran-3-ylphenyl)-2-phenylaniline;N-[4-[4-(3-carbazol-9-ylphenyl)phenyl]phenyl]-2-dibenzofuran-3-yl-N-(3-phenylphenyl)aniline;N-[4-[4-(3-carbazol-9-ylphenyl)phenyl]phenyl]-2-dibenzofuran-3-yl-N-(4-phenylphenyl)aniline
CID 158595337
N-[4-[3-(3-carbazol-9-ylphenyl)phenyl]phenyl]-2-dibenzofuran-3-yl-N-(4-phenanthren-2-ylphenyl)aniline
CID 153314977
N-(3-carbazol-9-ylphenyl)-N-[4-(4-dibenzofuran-3-ylphenyl)phenyl]-3-phenylaniline
CID 153314771
N-[4-[3-(3-carbazol-9-ylphenyl)phenyl]phenyl]-N-(4-dibenzofuran-3-ylphenyl)-4-(4-phenylphenyl)aniline
CID 153314608

Frequently Asked Questions

What is the IUPAC name of N-[4-[3-(3-carbazol-9-ylphenyl)phenyl]phenyl]-N-(3-dibenzofuran-3-ylphenyl)naphthalen-1-amine?
The IUPAC name of N-[4-[3-(3-carbazol-9-ylphenyl)phenyl]phenyl]-N-(3-dibenzofuran-3-ylphenyl)naphthalen-1-amine (CID 153314840) is N-[4-[3-(3-carbazol-9-ylphenyl)phenyl]phenyl]-N-(3-dibenzofuran-3-ylphenyl)naphthalen-1-amine.
What is the SMILES notation for N-[4-[3-(3-carbazol-9-ylphenyl)phenyl]phenyl]-N-(3-dibenzofuran-3-ylphenyl)naphthalen-1-amine?
The canonical SMILES for N-[4-[3-(3-carbazol-9-ylphenyl)phenyl]phenyl]-N-(3-dibenzofuran-3-ylphenyl)naphthalen-1-amine is c1cc(-c2ccc(N(c3cccc(-c4ccc5c(c4)oc4ccccc45)c3)c3cccc4ccccc34)cc2)cc(-c2cccc(-n3c4ccccc4c4ccccc43)c2)c1.
What is the InChIKey of N-[4-[3-(3-carbazol-9-ylphenyl)phenyl]phenyl]-N-(3-dibenzofuran-3-ylphenyl)naphthalen-1-amine?
The InChIKey is BPCUPYIKEPOABU-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H38N2O/c1-2-21-49-40(13-1)14-12-27-54(49)59(47-19-10-18-44(36-47)45-31-34-53-52-24-5-8-28-57(52)61-58(53)38-45)46-32-29-39(30-33-46)41-15-9-16-42(35-41)43-17-11-20-48(37-43)60-55-25-6-3-22-50(55)51-23-4-7-26-56(51)60/h1-38H.
What are the key properties of N-[4-[3-(3-carbazol-9-ylphenyl)phenyl]phenyl]-N-(3-dibenzofuran-3-ylphenyl)naphthalen-1-amine?
N-[4-[3-(3-carbazol-9-ylphenyl)phenyl]phenyl]-N-(3-dibenzofuran-3-ylphenyl)naphthalen-1-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-[3-(3-carbazol-9-ylphenyl)phenyl]phenyl]-N-(3-dibenzofuran-3-ylphenyl)naphthalen-1-amine is sourced from PubChem (CID 153314840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).