N-[4-([1]benzofuro[2,3-b]pyridin-8-yl)phenyl]-3-(4-carbazol-9-ylphenyl)-N-phenylaniline

C47H31N3O — CID 170177249

IUPACN-[4-([1]benzofuro[2,3-b]pyridin-8-yl)phenyl]-3-(4-carbazol-9-ylphenyl)-N-phenylaniline
SMILESc1ccc(N(c2ccc(-c3cccc4c3oc3ncccc34)cc2)c2cccc(-c3ccc(-n4c5ccccc5c5ccccc54)cc3)c2)cc1
InChIInChI=1S/C47H31N3O/c1-2-12-35(13-3-1)49(36-28-24-33(25-29-36)39-17-9-18-42-43-19-10-30-48-47(43)51-46(39)42)38-14-8-11-34(31-38)32-22-26-37(27-23-32)50-44-20-6-4-15-40(44)41-16-5-7-21-45(41)50/h1-31H
InChIKeyLPADIQFBLKFCML-UHFFFAOYSA-N
MW653.79 g/mol
LogP12.88
Rot. Bonds6

About N-[4-([1]benzofuro[2,3-b]pyridin-8-yl)phenyl]-3-(4-carbazol-9-ylphenyl)-N-phenylaniline

N-[4-([1]benzofuro[2,3-b]pyridin-8-yl)phenyl]-3-(4-carbazol-9-ylphenyl)-N-phenylaniline (PubChem CID 170177249) has the molecular formula C47H31N3O and a molecular weight of 653.79 g/mol. Its IUPAC name is N-[4-([1]benzofuro[2,3-b]pyridin-8-yl)phenyl]-3-(4-carbazol-9-ylphenyl)-N-phenylaniline.

Molecular Properties

Compound NameN-[4-([1]benzofuro[2,3-b]pyridin-8-yl)phenyl]-3-(4-carbazol-9-ylphenyl)-N-phenylaniline
PubChem CID170177249
Molecular FormulaC47H31N3O
Molecular Weight653.79 g/mol
Exact Mass653.25
IUPAC NameN-[4-([1]benzofuro[2,3-b]pyridin-8-yl)phenyl]-3-(4-carbazol-9-ylphenyl)-N-phenylaniline
SMILESc1ccc(N(c2ccc(-c3cccc4c3oc3ncccc34)cc2)c2cccc(-c3ccc(-n4c5ccccc5c5ccccc54)cc3)c2)cc1
InChIInChI=1S/C47H31N3O/c1-2-12-35(13-3-1)49(36-28-24-33(25-29-36)39-17-9-18-42-43-19-10-30-48-47(43)51-46(39)42)38-14-8-11-34(31-38)32-22-26-37(27-23-32)50-44-20-6-4-15-40(44)41-16-5-7-21-45(41)50/h1-31H
InChIKeyLPADIQFBLKFCML-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[2,3-b]pyridin-8-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 168738216
N-[4-(4-carbazol-9-ylphenyl)phenyl]-3-phenyl-N-[3-(6-phenyldibenzofuran-1-yl)phenyl]aniline
CID 155649265
N-(4-carbazol-9-ylphenyl)-4-(6-phenyldibenzofuran-2-yl)-N-[4-(2-phenylphenyl)phenyl]aniline
CID 168804257
4-[4-(N-(4-carbazol-9-ylphenyl)-4-dibenzofuran-4-ylanilino)phenyl]-N,N-diphenylaniline
CID 58510633
N-[4-[9-(4-dibenzofuran-4-ylphenyl)carbazol-3-yl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 90207163
N-(4-carbazol-9-ylphenyl)-N-(4-dibenzofuran-1-ylphenyl)-3-phenylaniline
CID 155649256
N-(4-carbazol-9-ylphenyl)-N-(4-dibenzofuran-1-ylphenyl)-3-(4-phenylphenyl)aniline
CID 155397977
N-(4-carbazol-9-ylphenyl)-3-phenyl-N-(3-phenylphenyl)aniline
CID 121312722
4-[9-(4-dibenzofuran-4-ylphenyl)-6-(9-phenylcarbazol-3-yl)carbazol-3-yl]-N,N-diphenylaniline
CID 164786369
N-phenyl-3-(4-phenylphenyl)-N-[4-[2-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]phenyl]aniline
CID 118103101
N-[4-[6-(3-carbazol-9-ylphenyl)dibenzofuran-4-yl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 90125897
3-phenyl-N-[4-(9-phenylcarbazol-4-yl)phenyl]-N-[4-(6-phenyldibenzofuran-2-yl)phenyl]aniline
CID 168805388

Frequently Asked Questions

What is the IUPAC name of N-[4-([1]benzofuro[2,3-b]pyridin-8-yl)phenyl]-3-(4-carbazol-9-ylphenyl)-N-phenylaniline?
The IUPAC name of N-[4-([1]benzofuro[2,3-b]pyridin-8-yl)phenyl]-3-(4-carbazol-9-ylphenyl)-N-phenylaniline (CID 170177249) is N-[4-([1]benzofuro[2,3-b]pyridin-8-yl)phenyl]-3-(4-carbazol-9-ylphenyl)-N-phenylaniline.
What is the SMILES notation for N-[4-([1]benzofuro[2,3-b]pyridin-8-yl)phenyl]-3-(4-carbazol-9-ylphenyl)-N-phenylaniline?
The canonical SMILES for N-[4-([1]benzofuro[2,3-b]pyridin-8-yl)phenyl]-3-(4-carbazol-9-ylphenyl)-N-phenylaniline is c1ccc(N(c2ccc(-c3cccc4c3oc3ncccc34)cc2)c2cccc(-c3ccc(-n4c5ccccc5c5ccccc54)cc3)c2)cc1.
What is the InChIKey of N-[4-([1]benzofuro[2,3-b]pyridin-8-yl)phenyl]-3-(4-carbazol-9-ylphenyl)-N-phenylaniline?
The InChIKey is LPADIQFBLKFCML-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H31N3O/c1-2-12-35(13-3-1)49(36-28-24-33(25-29-36)39-17-9-18-42-43-19-10-30-48-47(43)51-46(39)42)38-14-8-11-34(31-38)32-22-26-37(27-23-32)50-44-20-6-4-15-40(44)41-16-5-7-21-45(41)50/h1-31H.
What are the key properties of N-[4-([1]benzofuro[2,3-b]pyridin-8-yl)phenyl]-3-(4-carbazol-9-ylphenyl)-N-phenylaniline?
N-[4-([1]benzofuro[2,3-b]pyridin-8-yl)phenyl]-3-(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[2,3-b]pyridin-8-yl)phenyl]-3-(4-carbazol-9-ylphenyl)-N-phenylaniline is sourced from PubChem (CID 170177249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).