4-([1]benzofuro[2,3-b]pyridin-8-yl)-N,N-bis(4-cinnolin-3-ylphenyl)aniline

C45H28N6O — CID 168765748

IUPAC4-([1]benzofuro[2,3-b]pyridin-8-yl)-N,N-bis(4-cinnolin-3-ylphenyl)aniline
SMILESc1ccc2nnc(-c3ccc(N(c4ccc(-c5cc6ccccc6nn5)cc4)c4ccc(-c5cccc6c5oc5ncccc56)cc4)cc3)cc2c1
InChIInChI=1S/C45H28N6O/c1-3-12-40-32(7-1)27-42(49-47-40)30-16-22-35(23-17-30)51(36-24-18-31(19-25-36)43-28-33-8-2-4-13-41(33)48-50-43)34-20-14-29(15-21-34)37-9-5-10-38-39-11-6-26-46-45(39)52-44(37)38/h1-28H
InChIKeyIEQGLKYWFMGCCP-UHFFFAOYSA-N
MW668.76 g/mol
LogP11.34
Rot. Bonds6

About 4-([1]benzofuro[2,3-b]pyridin-8-yl)-N,N-bis(4-cinnolin-3-ylphenyl)aniline

4-([1]benzofuro[2,3-b]pyridin-8-yl)-N,N-bis(4-cinnolin-3-ylphenyl)aniline (PubChem CID 168765748) has the molecular formula C45H28N6O and a molecular weight of 668.76 g/mol. Its IUPAC name is 4-([1]benzofuro[2,3-b]pyridin-8-yl)-N,N-bis(4-cinnolin-3-ylphenyl)aniline.

Molecular Properties

Compound Name4-([1]benzofuro[2,3-b]pyridin-8-yl)-N,N-bis(4-cinnolin-3-ylphenyl)aniline
PubChem CID168765748
Molecular FormulaC45H28N6O
Molecular Weight668.76 g/mol
Exact Mass668.23
IUPAC Name4-([1]benzofuro[2,3-b]pyridin-8-yl)-N,N-bis(4-cinnolin-3-ylphenyl)aniline
SMILESc1ccc2nnc(-c3ccc(N(c4ccc(-c5cc6ccccc6nn5)cc4)c4ccc(-c5cccc6c5oc5ncccc56)cc4)cc3)cc2c1
InChIInChI=1S/C45H28N6O/c1-3-12-40-32(7-1)27-42(49-47-40)30-16-22-35(23-17-30)51(36-24-18-31(19-25-36)43-28-33-8-2-4-13-41(33)48-50-43)34-20-14-29(15-21-34)37-9-5-10-38-39-11-6-26-46-45(39)52-44(37)38/h1-28H
InChIKeyIEQGLKYWFMGCCP-UHFFFAOYSA-N
XLogP11.34
TPSA80.83 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500668.76
LogP ≤ 511.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 4-([1]benzofuro[2,3-b]pyridin-8-yl)-N,N-bis(4-cinnolin-3-ylphenyl)aniline with MolForge

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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-([1]benzofuro[2,3-b]pyridin-8-yl)phenyl]-4-phenanthren-2-yl-N-[4-(8-phenyl-1,7-naphthyridin-6-yl)phenyl]aniline
CID 171463423
N-(4-dibenzofuran-4-ylphenyl)-4-(1,5-naphthyridin-2-yl)-N-[4-(1,5-naphthyridin-2-yl)phenyl]aniline
CID 168765724
N-[4-([1]benzofuro[2,3-b]pyridin-8-yl)phenyl]-3-(4-carbazol-9-ylphenyl)-N-phenylaniline
CID 170177249
N-phenyl-3-(6-phenyldibenzofuran-4-yl)-N-(4-quinolin-8-ylphenyl)aniline
CID 139496205
8-[4-[6-[4-(4-iodophenyl)phenyl]naphthalen-2-yl]phenyl]-[1]benzofuro[2,3-b]pyridine
CID 170293616
N-phenyl-4-(6-phenyldibenzofuran-4-yl)-N-[4-(6-phenyldibenzofuran-4-yl)phenyl]aniline
CID 131997663
8-[4-(trideuteriomethyl)phenyl]-[1]benzofuro[2,3-b]pyridine
CID 90139251
4-phenyl-N-[4-[3-[4-(6-phenyldibenzofuran-4-yl)phenyl]phenyl]phenyl]-N-(4-phenylphenyl)aniline
CID 121296601
4-dibenzofuran-4-yl-N-(4-phenanthren-9-ylphenyl)-N-phenylaniline
CID 155303641
N-(4-phenanthren-9-ylphenyl)-N-phenyl-4-(5-phenylnaphtho[1,2-b][1]benzofuran-10-yl)aniline
CID 167402206
N-phenanthren-3-yl-N-[4-(6-phenyldibenzofuran-4-yl)phenyl]phenanthren-2-amine
CID 168810031

Frequently Asked Questions

What is the IUPAC name of 4-([1]benzofuro[2,3-b]pyridin-8-yl)-N,N-bis(4-cinnolin-3-ylphenyl)aniline?
The IUPAC name of 4-([1]benzofuro[2,3-b]pyridin-8-yl)-N,N-bis(4-cinnolin-3-ylphenyl)aniline (CID 168765748) is 4-([1]benzofuro[2,3-b]pyridin-8-yl)-N,N-bis(4-cinnolin-3-ylphenyl)aniline.
What is the SMILES notation for 4-([1]benzofuro[2,3-b]pyridin-8-yl)-N,N-bis(4-cinnolin-3-ylphenyl)aniline?
The canonical SMILES for 4-([1]benzofuro[2,3-b]pyridin-8-yl)-N,N-bis(4-cinnolin-3-ylphenyl)aniline is c1ccc2nnc(-c3ccc(N(c4ccc(-c5cc6ccccc6nn5)cc4)c4ccc(-c5cccc6c5oc5ncccc56)cc4)cc3)cc2c1.
What is the InChIKey of 4-([1]benzofuro[2,3-b]pyridin-8-yl)-N,N-bis(4-cinnolin-3-ylphenyl)aniline?
The InChIKey is IEQGLKYWFMGCCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H28N6O/c1-3-12-40-32(7-1)27-42(49-47-40)30-16-22-35(23-17-30)51(36-24-18-31(19-25-36)43-28-33-8-2-4-13-41(33)48-50-43)34-20-14-29(15-21-34)37-9-5-10-38-39-11-6-26-46-45(39)52-44(37)38/h1-28H.
What are the key properties of 4-([1]benzofuro[2,3-b]pyridin-8-yl)-N,N-bis(4-cinnolin-3-ylphenyl)aniline?
4-([1]benzofuro[2,3-b]pyridin-8-yl)-N,N-bis(4-cinnolin-3-ylphenyl)aniline has a molecular weight of 668.76 g/mol, XLogP of 11.34, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-([1]benzofuro[2,3-b]pyridin-8-yl)-N,N-bis(4-cinnolin-3-ylphenyl)aniline is sourced from PubChem (CID 168765748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).