2-N-naphtho[2,3-b][1]benzofuran-3-yl-2-N,4-N,4-N-triphenyl-9-(3-phenylphenyl)carbazole-2,4-diamine

C58H39N3O — CID 154965851

IUPAC2-N-naphtho[2,3-b][1]benzofuran-3-yl-2-N,4-N,4-N-triphenyl-9-(3-phenylphenyl)carbazole-2,4-diamine
SMILESc1ccc(-c2cccc(-n3c4ccccc4c4c(N(c5ccccc5)c5ccccc5)cc(N(c5ccccc5)c5ccc6c(c5)oc5cc7ccccc7cc56)cc43)c2)cc1
InChIInChI=1S/C58H39N3O/c1-5-18-40(19-6-1)41-22-17-29-47(34-41)61-53-31-16-15-30-51(53)58-54(60(45-25-9-3-10-26-45)46-27-11-4-12-28-46)37-49(38-55(58)61)59(44-23-7-2-8-24-44)48-32-33-50-52-35-42-20-13-14-21-43(42)36-56(52)62-57(50)39-48/h1-39H
InChIKeyASEQEUAVJRBJMN-UHFFFAOYSA-N
MW793.97 g/mol
LogP16.44
Rot. Bonds8

About 2-N-naphtho[2,3-b][1]benzofuran-3-yl-2-N,4-N,4-N-triphenyl-9-(3-phenylphenyl)carbazole-2,4-diamine

2-N-naphtho[2,3-b][1]benzofuran-3-yl-2-N,4-N,4-N-triphenyl-9-(3-phenylphenyl)carbazole-2,4-diamine (PubChem CID 154965851) has the molecular formula C58H39N3O and a molecular weight of 793.97 g/mol. Its IUPAC name is 2-N-naphtho[2,3-b][1]benzofuran-3-yl-2-N,4-N,4-N-triphenyl-9-(3-phenylphenyl)carbazole-2,4-diamine.

Molecular Properties

Compound Name2-N-naphtho[2,3-b][1]benzofuran-3-yl-2-N,4-N,4-N-triphenyl-9-(3-phenylphenyl)carbazole-2,4-diamine
PubChem CID154965851
Molecular FormulaC58H39N3O
Molecular Weight793.97 g/mol
Exact Mass793.31
IUPAC Name2-N-naphtho[2,3-b][1]benzofuran-3-yl-2-N,4-N,4-N-triphenyl-9-(3-phenylphenyl)carbazole-2,4-diamine
SMILESc1ccc(-c2cccc(-n3c4ccccc4c4c(N(c5ccccc5)c5ccccc5)cc(N(c5ccccc5)c5ccc6c(c5)oc5cc7ccccc7cc56)cc43)c2)cc1
InChIInChI=1S/C58H39N3O/c1-5-18-40(19-6-1)41-22-17-29-47(34-41)61-53-31-16-15-30-51(53)58-54(60(45-25-9-3-10-26-45)46-27-11-4-12-28-46)37-49(38-55(58)61)59(44-23-7-2-8-24-44)48-32-33-50-52-35-42-20-13-14-21-43(42)36-56(52)62-57(50)39-48/h1-39H
InChIKeyASEQEUAVJRBJMN-UHFFFAOYSA-N
XLogP16.44
TPSA24.55 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500793.97
LogP ≤ 516.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-dibenzofuran-3-yl-1-N,1-N,3-N,3-N-tetraphenylbenzo[b]carbazole-1,3-diamine
CID 154965753
N-[4-(3-carbazol-9-ylphenyl)phenyl]-N-(4-naphthalen-2-ylphenyl)-4-phenylaniline;N-[4-(3-carbazol-9-ylphenyl)phenyl]-N-phenyldibenzofuran-3-amine;N-(4-carbazol-9-ylphenyl)-N-(4-phenylphenyl)dibenzofuran-3-amine;N-[4-(3-carbazol-9-ylphenyl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 163939327
N-[4-(3-carbazol-9-ylphenyl)phenyl]-3-(4-dibenzofuran-3-ylphenyl)-N-(4-phenylphenyl)aniline
CID 147399536
N-[4-[4-(3-carbazol-9-ylphenyl)phenyl]phenyl]-3-dibenzofuran-3-yl-N-(4-naphthalen-2-ylphenyl)aniline
CID 153315011
N-[4-(3-carbazol-9-ylphenyl)phenyl]-N-(4-dibenzofuran-3-ylphenyl)-3-naphthalen-2-ylaniline
CID 146578847
N-[4-[3-(3-carbazol-9-ylphenyl)phenyl]phenyl]-3-dibenzofuran-3-yl-N-[4-(3-phenylphenyl)phenyl]aniline
CID 153012599
N-[4-[3-(3-carbazol-9-ylphenyl)phenyl]phenyl]-N-(3-dibenzofuran-3-ylphenyl)naphthalen-1-amine
CID 153314840
3-N,7-N-diphenyl-3-N-(9-phenylcarbazol-3-yl)-7-N-(3-phenylphenyl)dibenzofuran-3,7-diamine
CID 170410173
N-[4-[4-(3-carbazol-9-ylphenyl)phenyl]phenyl]-N-[4-(4-dibenzofuran-3-ylphenyl)phenyl]-4-(4-phenylphenyl)aniline
CID 153314610
N-[4-(3-carbazol-9-ylphenyl)phenyl]-N-(4-dibenzofuran-3-ylphenyl)-4-(4-phenylphenyl)aniline
CID 148685552
N-[3-(3-carbazol-9-ylphenyl)phenyl]-N-(4-phenylphenyl)dibenzofuran-2-amine
CID 121260620
N-(3-carbazol-9-ylphenyl)-N-[4-(4-dibenzofuran-3-ylphenyl)phenyl]-3-phenylaniline
CID 153314771

Frequently Asked Questions

What is the IUPAC name of 2-N-naphtho[2,3-b][1]benzofuran-3-yl-2-N,4-N,4-N-triphenyl-9-(3-phenylphenyl)carbazole-2,4-diamine?
The IUPAC name of 2-N-naphtho[2,3-b][1]benzofuran-3-yl-2-N,4-N,4-N-triphenyl-9-(3-phenylphenyl)carbazole-2,4-diamine (CID 154965851) is 2-N-naphtho[2,3-b][1]benzofuran-3-yl-2-N,4-N,4-N-triphenyl-9-(3-phenylphenyl)carbazole-2,4-diamine.
What is the SMILES notation for 2-N-naphtho[2,3-b][1]benzofuran-3-yl-2-N,4-N,4-N-triphenyl-9-(3-phenylphenyl)carbazole-2,4-diamine?
The canonical SMILES for 2-N-naphtho[2,3-b][1]benzofuran-3-yl-2-N,4-N,4-N-triphenyl-9-(3-phenylphenyl)carbazole-2,4-diamine is c1ccc(-c2cccc(-n3c4ccccc4c4c(N(c5ccccc5)c5ccccc5)cc(N(c5ccccc5)c5ccc6c(c5)oc5cc7ccccc7cc56)cc43)c2)cc1.
What is the InChIKey of 2-N-naphtho[2,3-b][1]benzofuran-3-yl-2-N,4-N,4-N-triphenyl-9-(3-phenylphenyl)carbazole-2,4-diamine?
The InChIKey is ASEQEUAVJRBJMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H39N3O/c1-5-18-40(19-6-1)41-22-17-29-47(34-41)61-53-31-16-15-30-51(53)58-54(60(45-25-9-3-10-26-45)46-27-11-4-12-28-46)37-49(38-55(58)61)59(44-23-7-2-8-24-44)48-32-33-50-52-35-42-20-13-14-21-43(42)36-56(52)62-57(50)39-48/h1-39H.
What are the key properties of 2-N-naphtho[2,3-b][1]benzofuran-3-yl-2-N,4-N,4-N-triphenyl-9-(3-phenylphenyl)carbazole-2,4-diamine?
2-N-naphtho[2,3-b][1]benzofuran-3-yl-2-N,4-N,4-N-triphenyl-9-(3-phenylphenyl)carbazole-2,4-diamine has a molecular weight of 793.97 g/mol, XLogP of 16.44, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-naphtho[2,3-b][1]benzofuran-3-yl-2-N,4-N,4-N-triphenyl-9-(3-phenylphenyl)carbazole-2,4-diamine is sourced from PubChem (CID 154965851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).