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

C47H31N3O — CID 170177226

IUPACN-[4-([1]benzofuro[3,2-c]pyridin-4-yl)phenyl]-2-(4-carbazol-9-ylphenyl)-N-phenylaniline
SMILESc1ccc(N(c2ccc(-c3cncc4c3oc3ccccc34)cc2)c2ccccc2-c2ccc(-n3c4ccccc4c4ccccc43)cc2)cc1
InChIInChI=1S/C47H31N3O/c1-2-12-34(13-3-1)49(35-26-24-33(25-27-35)41-30-48-31-42-40-17-7-11-21-46(40)51-47(41)42)43-18-8-4-14-37(43)32-22-28-36(29-23-32)50-44-19-9-5-15-38(44)39-16-6-10-20-45(39)50/h1-31H
InChIKeyAXWUVZYADKDKHW-UHFFFAOYSA-N
MW653.79 g/mol
LogP12.88
Rot. Bonds6

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

N-[4-([1]benzofuro[3,2-c]pyridin-4-yl)phenyl]-2-(4-carbazol-9-ylphenyl)-N-phenylaniline (PubChem CID 170177226) 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]-2-(4-carbazol-9-ylphenyl)-N-phenylaniline.

Molecular Properties

Compound NameN-[4-([1]benzofuro[3,2-c]pyridin-4-yl)phenyl]-2-(4-carbazol-9-ylphenyl)-N-phenylaniline
PubChem CID170177226
Molecular FormulaC47H31N3O
Molecular Weight653.79 g/mol
Exact Mass653.25
IUPAC NameN-[4-([1]benzofuro[3,2-c]pyridin-4-yl)phenyl]-2-(4-carbazol-9-ylphenyl)-N-phenylaniline
SMILESc1ccc(N(c2ccc(-c3cncc4c3oc3ccccc34)cc2)c2ccccc2-c2ccc(-n3c4ccccc4c4ccccc43)cc2)cc1
InChIInChI=1S/C47H31N3O/c1-2-12-34(13-3-1)49(35-26-24-33(25-27-35)41-30-48-31-42-40-17-7-11-21-46(40)51-47(41)42)43-18-8-4-14-37(43)32-22-28-36(29-23-32)50-44-19-9-5-15-38(44)39-16-6-10-20-45(39)50/h1-31H
InChIKeyAXWUVZYADKDKHW-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

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Related Compounds

N-[4-([1]benzofuro[3,2-c]pyridin-4-yl)phenyl]-4-(4-carbazol-9-ylphenyl)-N-phenylaniline
CID 170177089
N-[4-(4-carbazol-9-ylphenyl)phenyl]-N-(2-dibenzofuran-4-ylphenyl)-2-phenylaniline
CID 164822828
4-[4-(N-(4-carbazol-9-ylphenyl)-4-dibenzofuran-4-ylanilino)phenyl]-N,N-diphenylaniline
CID 58510633
4-(4-carbazol-9-ylphenyl)-N-(2-dibenzofuran-1-ylphenyl)-N-phenyldibenzofuran-2-amine
CID 176609231
N,N-bis(4-carbazol-9-ylphenyl)-4-dibenzofuran-4-ylaniline
CID 58510642
4-(4-carbazol-9-ylphenyl)-N,N-diphenyldibenzofuran-1-amine
CID 176608271
N-[4-(4-carbazol-9-ylphenyl)phenyl]-2-phenyl-N-[3-(4-phenyldibenzofuran-1-yl)phenyl]aniline
CID 155398470
2-(4-carbazol-9-ylphenyl)-N,N-bis(4-phenylphenyl)aniline
CID 121329642
N-(4-carbazol-9-ylphenyl)-N-[2-[2-[2-(4-phenylphenyl)phenyl]phenyl]phenyl]dibenzofuran-4-amine
CID 172502401
N-[4-(4-carbazol-9-ylphenyl)phenyl]-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]dibenzofuran-4-amine
CID 172501663
N-[4-[3-(4-carbazol-9-ylphenyl)phenyl]phenyl]-N-(3-dibenzofuran-3-ylphenyl)-2-phenylaniline
CID 153314795
N-[4-(4-carbazol-9-ylphenyl)phenyl]-N-(2-dibenzofuran-4-ylphenyl)dibenzofuran-1-amine
CID 164822786

Frequently Asked Questions

What is the IUPAC name of N-[4-([1]benzofuro[3,2-c]pyridin-4-yl)phenyl]-2-(4-carbazol-9-ylphenyl)-N-phenylaniline?
The IUPAC name of N-[4-([1]benzofuro[3,2-c]pyridin-4-yl)phenyl]-2-(4-carbazol-9-ylphenyl)-N-phenylaniline (CID 170177226) is N-[4-([1]benzofuro[3,2-c]pyridin-4-yl)phenyl]-2-(4-carbazol-9-ylphenyl)-N-phenylaniline.
What is the SMILES notation for N-[4-([1]benzofuro[3,2-c]pyridin-4-yl)phenyl]-2-(4-carbazol-9-ylphenyl)-N-phenylaniline?
The canonical SMILES for N-[4-([1]benzofuro[3,2-c]pyridin-4-yl)phenyl]-2-(4-carbazol-9-ylphenyl)-N-phenylaniline is c1ccc(N(c2ccc(-c3cncc4c3oc3ccccc34)cc2)c2ccccc2-c2ccc(-n3c4ccccc4c4ccccc43)cc2)cc1.
What is the InChIKey of N-[4-([1]benzofuro[3,2-c]pyridin-4-yl)phenyl]-2-(4-carbazol-9-ylphenyl)-N-phenylaniline?
The InChIKey is AXWUVZYADKDKHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H31N3O/c1-2-12-34(13-3-1)49(35-26-24-33(25-27-35)41-30-48-31-42-40-17-7-11-21-46(40)51-47(41)42)43-18-8-4-14-37(43)32-22-28-36(29-23-32)50-44-19-9-5-15-38(44)39-16-6-10-20-45(39)50/h1-31H.
What are the key properties of N-[4-([1]benzofuro[3,2-c]pyridin-4-yl)phenyl]-2-(4-carbazol-9-ylphenyl)-N-phenylaniline?
N-[4-([1]benzofuro[3,2-c]pyridin-4-yl)phenyl]-2-(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]-2-(4-carbazol-9-ylphenyl)-N-phenylaniline is sourced from PubChem (CID 170177226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).