N-[4-([1]benzofuro[3,2-c]pyridin-4-yl)phenyl]-4-(4-carbazol-9-ylphenyl)-N-phenylaniline

C47H31N3O — CID 170177089

IUPACN-[4-([1]benzofuro[3,2-c]pyridin-4-yl)phenyl]-4-(4-carbazol-9-ylphenyl)-N-phenylaniline
SMILESc1ccc(N(c2ccc(-c3ccc(-n4c5ccccc5c5ccccc54)cc3)cc2)c2ccc(-c3cncc4c3oc3ccccc34)cc2)cc1
InChIInChI=1S/C47H31N3O/c1-2-10-35(11-3-1)49(37-28-22-34(23-29-37)42-30-48-31-43-41-14-6-9-17-46(41)51-47(42)43)36-24-18-32(19-25-36)33-20-26-38(27-21-33)50-44-15-7-4-12-39(44)40-13-5-8-16-45(40)50/h1-31H
InChIKeyDFKWNDGRWBCGHO-UHFFFAOYSA-N
MW653.79 g/mol
LogP12.88
Rot. Bonds6

About N-[4-([1]benzofuro[3,2-c]pyridin-4-yl)phenyl]-4-(4-carbazol-9-ylphenyl)-N-phenylaniline

N-[4-([1]benzofuro[3,2-c]pyridin-4-yl)phenyl]-4-(4-carbazol-9-ylphenyl)-N-phenylaniline (PubChem CID 170177089) has the molecular formula C47H31N3O and a molecular weight of 653.79 g/mol. Its IUPAC name is N-[4-([1]benzofuro[3,2-c]pyridin-4-yl)phenyl]-4-(4-carbazol-9-ylphenyl)-N-phenylaniline.

Molecular Properties

Compound NameN-[4-([1]benzofuro[3,2-c]pyridin-4-yl)phenyl]-4-(4-carbazol-9-ylphenyl)-N-phenylaniline
PubChem CID170177089
Molecular FormulaC47H31N3O
Molecular Weight653.79 g/mol
Exact Mass653.25
IUPAC NameN-[4-([1]benzofuro[3,2-c]pyridin-4-yl)phenyl]-4-(4-carbazol-9-ylphenyl)-N-phenylaniline
SMILESc1ccc(N(c2ccc(-c3ccc(-n4c5ccccc5c5ccccc54)cc3)cc2)c2ccc(-c3cncc4c3oc3ccccc34)cc2)cc1
InChIInChI=1S/C47H31N3O/c1-2-10-35(11-3-1)49(37-28-22-34(23-29-37)42-30-48-31-43-41-14-6-9-17-46(41)51-47(42)43)36-24-18-32(19-25-36)33-20-26-38(27-21-33)50-44-15-7-4-12-39(44)40-13-5-8-16-45(40)50/h1-31H
InChIKeyDFKWNDGRWBCGHO-UHFFFAOYSA-N
XLogP12.88
TPSA34.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500653.79
LogP ≤ 512.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze N-[4-([1]benzofuro[3,2-c]pyridin-4-yl)phenyl]-4-(4-carbazol-9-ylphenyl)-N-phenylaniline with MolForge

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Related Compounds

N-[4-([1]benzofuro[3,2-c]pyridin-4-yl)phenyl]-2-(4-carbazol-9-ylphenyl)-N-phenylaniline
CID 170177226
4-[4-(N-(4-carbazol-9-ylphenyl)-4-dibenzofuran-4-ylanilino)phenyl]-N,N-diphenylaniline
CID 58510633
N,N-bis(4-carbazol-9-ylphenyl)-4-dibenzofuran-4-ylaniline
CID 58510642
4-(4-carbazol-9-ylphenyl)-N-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]dibenzofuran-2-amine
CID 176608145
4-[9-(4-dibenzofuran-4-ylphenyl)-6-(9-phenylcarbazol-3-yl)carbazol-3-yl]-N,N-diphenylaniline
CID 164786369
N-[4-[9-(4-dibenzofuran-4-ylphenyl)carbazol-3-yl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 90207163
N-(4-carbazol-9-ylphenyl)-4-dibenzofuran-4-yl-3-phenyl-N-(4-phenylphenyl)aniline
CID 153004829
N-(4-dibenzofuran-4-ylphenyl)-9-phenyl-N-[4-(4-phenylphenyl)phenyl]carbazol-3-amine
CID 58510827
4-[4-[4-[4-(4-carbazol-9-ylphenyl)-N-(4-dibenzofuran-4-ylphenyl)anilino]phenyl]phenyl]benzaldehyde
CID 58568911
N-[4-(4-carbazol-9-ylphenyl)phenyl]-N-(2-dibenzofuran-4-ylphenyl)-2-phenylaniline
CID 164822828
N,4-diphenyl-N-[4-[2-(2-phenylcarbazol-9-yl)dibenzofuran-4-yl]phenyl]aniline
CID 156521426
4-(4-carbazol-9-ylphenyl)-N,N-diphenyldibenzofuran-1-amine
CID 176608271

Frequently Asked Questions

What is the IUPAC name of N-[4-([1]benzofuro[3,2-c]pyridin-4-yl)phenyl]-4-(4-carbazol-9-ylphenyl)-N-phenylaniline?
The IUPAC name of N-[4-([1]benzofuro[3,2-c]pyridin-4-yl)phenyl]-4-(4-carbazol-9-ylphenyl)-N-phenylaniline (CID 170177089) is N-[4-([1]benzofuro[3,2-c]pyridin-4-yl)phenyl]-4-(4-carbazol-9-ylphenyl)-N-phenylaniline.
What is the SMILES notation for N-[4-([1]benzofuro[3,2-c]pyridin-4-yl)phenyl]-4-(4-carbazol-9-ylphenyl)-N-phenylaniline?
The canonical SMILES for N-[4-([1]benzofuro[3,2-c]pyridin-4-yl)phenyl]-4-(4-carbazol-9-ylphenyl)-N-phenylaniline is c1ccc(N(c2ccc(-c3ccc(-n4c5ccccc5c5ccccc54)cc3)cc2)c2ccc(-c3cncc4c3oc3ccccc34)cc2)cc1.
What is the InChIKey of N-[4-([1]benzofuro[3,2-c]pyridin-4-yl)phenyl]-4-(4-carbazol-9-ylphenyl)-N-phenylaniline?
The InChIKey is DFKWNDGRWBCGHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H31N3O/c1-2-10-35(11-3-1)49(37-28-22-34(23-29-37)42-30-48-31-43-41-14-6-9-17-46(41)51-47(42)43)36-24-18-32(19-25-36)33-20-26-38(27-21-33)50-44-15-7-4-12-39(44)40-13-5-8-16-45(40)50/h1-31H.
What are the key properties of N-[4-([1]benzofuro[3,2-c]pyridin-4-yl)phenyl]-4-(4-carbazol-9-ylphenyl)-N-phenylaniline?
N-[4-([1]benzofuro[3,2-c]pyridin-4-yl)phenyl]-4-(4-carbazol-9-ylphenyl)-N-phenylaniline has a molecular weight of 653.79 g/mol, XLogP of 12.88, 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-c]pyridin-4-yl)phenyl]-4-(4-carbazol-9-ylphenyl)-N-phenylaniline is sourced from PubChem (CID 170177089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).