N-[4-([1]benzofuro[3,2-b]pyridin-9-yl)phenyl]-N-[4-(4-carbazol-9-ylnaphthalen-2-yl)phenyl]naphthalen-2-amine

C55H35N3O — CID 170177584

IUPACN-[4-([1]benzofuro[3,2-b]pyridin-9-yl)phenyl]-N-[4-(4-carbazol-9-ylnaphthalen-2-yl)phenyl]naphthalen-2-amine
SMILESc1ccc2cc(N(c3ccc(-c4cc(-n5c6ccccc6c6ccccc65)c5ccccc5c4)cc3)c3ccc(-c4cccc5oc6cccnc6c45)cc3)ccc2c1
InChIInChI=1S/C55H35N3O/c1-2-12-39-34-44(31-24-36(39)11-1)57(43-29-25-38(26-30-43)46-17-9-20-52-54(46)55-53(59-52)21-10-32-56-55)42-27-22-37(23-28-42)41-33-40-13-3-4-14-45(40)51(35-41)58-49-18-7-5-15-47(49)48-16-6-8-19-50(48)58/h1-35H
InChIKeyGQVAMXGIAGFVTC-UHFFFAOYSA-N
MW753.91 g/mol
LogP15.19
Rot. Bonds6

About N-[4-([1]benzofuro[3,2-b]pyridin-9-yl)phenyl]-N-[4-(4-carbazol-9-ylnaphthalen-2-yl)phenyl]naphthalen-2-amine

N-[4-([1]benzofuro[3,2-b]pyridin-9-yl)phenyl]-N-[4-(4-carbazol-9-ylnaphthalen-2-yl)phenyl]naphthalen-2-amine (PubChem CID 170177584) has the molecular formula C55H35N3O and a molecular weight of 753.91 g/mol. Its IUPAC name is N-[4-([1]benzofuro[3,2-b]pyridin-9-yl)phenyl]-N-[4-(4-carbazol-9-ylnaphthalen-2-yl)phenyl]naphthalen-2-amine.

Molecular Properties

Compound NameN-[4-([1]benzofuro[3,2-b]pyridin-9-yl)phenyl]-N-[4-(4-carbazol-9-ylnaphthalen-2-yl)phenyl]naphthalen-2-amine
PubChem CID170177584
Molecular FormulaC55H35N3O
Molecular Weight753.91 g/mol
Exact Mass753.28
IUPAC NameN-[4-([1]benzofuro[3,2-b]pyridin-9-yl)phenyl]-N-[4-(4-carbazol-9-ylnaphthalen-2-yl)phenyl]naphthalen-2-amine
SMILESc1ccc2cc(N(c3ccc(-c4cc(-n5c6ccccc6c6ccccc65)c5ccccc5c4)cc3)c3ccc(-c4cccc5oc6cccnc6c45)cc3)ccc2c1
InChIInChI=1S/C55H35N3O/c1-2-12-39-34-44(31-24-36(39)11-1)57(43-29-25-38(26-30-43)46-17-9-20-52-54(46)55-53(59-52)21-10-32-56-55)42-27-22-37(23-28-42)41-33-40-13-3-4-14-45(40)51(35-41)58-49-18-7-5-15-47(49)48-16-6-8-19-50(48)58/h1-35H
InChIKeyGQVAMXGIAGFVTC-UHFFFAOYSA-N
XLogP15.19
TPSA34.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms59
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500753.91
LogP ≤ 515.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(4-benzo[a]carbazol-11-ylphenyl)phenyl]-N-[4-([1]benzofuro[3,2-b]pyridin-9-yl)phenyl]naphthalen-2-amine
CID 170177075
4-([1]benzofuro[3,2-b]pyridin-9-yl)-N-(4-carbazol-9-ylphenyl)-N-phenylaniline
CID 170177041
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-dibenzofuran-3-ylphenyl)naphthalen-2-amine
CID 153190885
4-[4-(4-carbazol-9-ylphenyl)phenyl]-N-(4-dibenzofuran-1-ylphenyl)-N-(4-naphthalen-2-ylphenyl)aniline
CID 155397994
N-[4-(2-carbazol-9-ylphenyl)phenyl]-N-[4-(3-naphthalen-2-ylphenyl)phenyl]dibenzofuran-3-amine
CID 166565654
N-[4-[4-(3-carbazol-9-ylphenyl)phenyl]phenyl]-N-(4-dibenzofuran-1-ylphenyl)naphthalen-2-amine
CID 155398648
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-yl-4-phenylphenyl)phenyl]-N-(4-dibenzofuran-4-ylphenyl)-4-naphthalen-2-ylaniline
CID 139545467
N,N-bis[4-(2-carbazol-9-ylphenyl)phenyl]-4-naphthalen-2-ylaniline
CID 142416176
N-[4-[4-(2-carbazol-9-ylphenyl)phenyl]phenyl]-N,4-bis(4-naphthalen-2-ylphenyl)aniline
CID 167322146
N-[4-[4-(4-carbazol-9-ylphenyl)phenyl]phenyl]-N-[4-(3-dibenzofuran-1-ylphenyl)phenyl]naphthalen-2-amine
CID 155649331

Frequently Asked Questions

What is the IUPAC name of N-[4-([1]benzofuro[3,2-b]pyridin-9-yl)phenyl]-N-[4-(4-carbazol-9-ylnaphthalen-2-yl)phenyl]naphthalen-2-amine?
The IUPAC name of N-[4-([1]benzofuro[3,2-b]pyridin-9-yl)phenyl]-N-[4-(4-carbazol-9-ylnaphthalen-2-yl)phenyl]naphthalen-2-amine (CID 170177584) is N-[4-([1]benzofuro[3,2-b]pyridin-9-yl)phenyl]-N-[4-(4-carbazol-9-ylnaphthalen-2-yl)phenyl]naphthalen-2-amine.
What is the SMILES notation for N-[4-([1]benzofuro[3,2-b]pyridin-9-yl)phenyl]-N-[4-(4-carbazol-9-ylnaphthalen-2-yl)phenyl]naphthalen-2-amine?
The canonical SMILES for N-[4-([1]benzofuro[3,2-b]pyridin-9-yl)phenyl]-N-[4-(4-carbazol-9-ylnaphthalen-2-yl)phenyl]naphthalen-2-amine is c1ccc2cc(N(c3ccc(-c4cc(-n5c6ccccc6c6ccccc65)c5ccccc5c4)cc3)c3ccc(-c4cccc5oc6cccnc6c45)cc3)ccc2c1.
What is the InChIKey of N-[4-([1]benzofuro[3,2-b]pyridin-9-yl)phenyl]-N-[4-(4-carbazol-9-ylnaphthalen-2-yl)phenyl]naphthalen-2-amine?
The InChIKey is GQVAMXGIAGFVTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H35N3O/c1-2-12-39-34-44(31-24-36(39)11-1)57(43-29-25-38(26-30-43)46-17-9-20-52-54(46)55-53(59-52)21-10-32-56-55)42-27-22-37(23-28-42)41-33-40-13-3-4-14-45(40)51(35-41)58-49-18-7-5-15-47(49)48-16-6-8-19-50(48)58/h1-35H.
What are the key properties of N-[4-([1]benzofuro[3,2-b]pyridin-9-yl)phenyl]-N-[4-(4-carbazol-9-ylnaphthalen-2-yl)phenyl]naphthalen-2-amine?
N-[4-([1]benzofuro[3,2-b]pyridin-9-yl)phenyl]-N-[4-(4-carbazol-9-ylnaphthalen-2-yl)phenyl]naphthalen-2-amine has a molecular weight of 753.91 g/mol, XLogP of 15.19, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-([1]benzofuro[3,2-b]pyridin-9-yl)phenyl]-N-[4-(4-carbazol-9-ylnaphthalen-2-yl)phenyl]naphthalen-2-amine is sourced from PubChem (CID 170177584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).