7-([1]benzofuro[2,3-b]pyrrol-3-yl)-3-[6-[3-([1]benzofuro[2,3-b]pyrrol-3-yl)phenyl]-2-pyridinyl]-[1]benzofuro[2,3-b]pyrrole

C41H24N4O3 — CID 126749691

IUPAC7-([1]benzofuro[2,3-b]pyrrol-3-yl)-3-[6-[3-([1]benzofuro[2,3-b]pyrrol-3-yl)phenyl]-2-pyridinyl]-[1]benzofuro[2,3-b]pyrrole
SMILESc1cc(-c2cccc(-n3ccc4c5cc(-n6ccc7c8ccccc8oc76)ccc5oc43)n2)cc(-n2ccc3c4ccccc4oc32)c1
InChIInChI=1S/C41H24N4O3/c1-3-12-35-28(9-1)30-17-20-43(39(30)46-35)26-8-5-7-25(23-26)34-11-6-14-38(42-34)45-22-19-32-33-24-27(15-16-37(33)48-41(32)45)44-21-18-31-29-10-2-4-13-36(29)47-40(31)44/h1-24H
InChIKeyXVVYRZBKIGYQSO-UHFFFAOYSA-N
MW620.67 g/mol
LogP10.82
Rot. Bonds4

About 7-([1]benzofuro[2,3-b]pyrrol-3-yl)-3-[6-[3-([1]benzofuro[2,3-b]pyrrol-3-yl)phenyl]-2-pyridinyl]-[1]benzofuro[2,3-b]pyrrole

7-([1]benzofuro[2,3-b]pyrrol-3-yl)-3-[6-[3-([1]benzofuro[2,3-b]pyrrol-3-yl)phenyl]-2-pyridinyl]-[1]benzofuro[2,3-b]pyrrole (PubChem CID 126749691) has the molecular formula C41H24N4O3 and a molecular weight of 620.67 g/mol. Its IUPAC name is 7-([1]benzofuro[2,3-b]pyrrol-3-yl)-3-[6-[3-([1]benzofuro[2,3-b]pyrrol-3-yl)phenyl]-2-pyridinyl]-[1]benzofuro[2,3-b]pyrrole.

Molecular Properties

Compound Name7-([1]benzofuro[2,3-b]pyrrol-3-yl)-3-[6-[3-([1]benzofuro[2,3-b]pyrrol-3-yl)phenyl]-2-pyridinyl]-[1]benzofuro[2,3-b]pyrrole
PubChem CID126749691
Molecular FormulaC41H24N4O3
Molecular Weight620.67 g/mol
Exact Mass620.18
IUPAC Name7-([1]benzofuro[2,3-b]pyrrol-3-yl)-3-[6-[3-([1]benzofuro[2,3-b]pyrrol-3-yl)phenyl]-2-pyridinyl]-[1]benzofuro[2,3-b]pyrrole
SMILESc1cc(-c2cccc(-n3ccc4c5cc(-n6ccc7c8ccccc8oc76)ccc5oc43)n2)cc(-n2ccc3c4ccccc4oc32)c1
InChIInChI=1S/C41H24N4O3/c1-3-12-35-28(9-1)30-17-20-43(39(30)46-35)26-8-5-7-25(23-26)34-11-6-14-38(42-34)45-22-19-32-33-24-27(15-16-37(33)48-41(32)45)44-21-18-31-29-10-2-4-13-36(29)47-40(31)44/h1-24H
InChIKeyXVVYRZBKIGYQSO-UHFFFAOYSA-N
XLogP10.82
TPSA67.10 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500620.67
LogP ≤ 510.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 7-([1]benzofuro[2,3-b]pyrrol-3-yl)-3-[6-[3-([1]benzofuro[2,3-b]pyrrol-3-yl)phenyl]-2-pyridinyl]-[1]benzofuro[2,3-b]pyrrole with MolForge

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Related Compounds

7-([1]benzofuro[2,3-b]pyrrol-3-yl)-3-(3-phenylphenyl)-[1]benzofuro[2,3-b]pyrrole;7-([1]benzofuro[2,3-b]pyrrol-3-yl)-3-(6-phenyl-2-pyridinyl)-[1]benzofuro[2,3-b]pyrrole;7-([1]benzofuro[2,3-b]pyrrol-3-yl)-3-(3-pyridin-2-ylphenyl)-[1]benzofuro[2,3-b]pyrrole;7-([1]benzofuro[2,3-b]pyrrol-3-yl)-3-(3-pyridin-3-ylphenyl)-[1]benzofuro[2,3-b]pyrrole;ethane
CID 162135320
9-[8-(6-dibenzofuran-2-yl-2-pyridinyl)dibenzofuran-2-yl]carbazole
CID 89433742
9-dibenzofuran-2-yl-2-phenyl-3-[9-(6-phenyl-2-pyridinyl)carbazol-2-yl]carbazole
CID 90348742
2-dibenzofuran-2-yl-6-(8-phenyldibenzothiophen-2-yl)pyridine
CID 170670772
9-[6-[8-(1,2-dihydrocarbazol-9-yl)dibenzofuran-2-yl]-2-pyridinyl]carbazole
CID 166931652
4-carbazol-9-yl-9-dibenzofuran-2-ylcarbazole;4-carbazol-9-yl-9-dibenzothiophen-2-ylcarbazole;4-carbazol-9-yl-9-phenylcarbazole;4-carbazol-9-yl-9-(6-phenyl-2-pyridinyl)carbazole
CID 159256998
2-dibenzofuran-2-yl-6-(8-dibenzothiophen-2-yldibenzothiophen-2-yl)pyridine
CID 137466524
9-dibenzofuran-2-yl-N,N-bis(4-phenylphenyl)carbazol-3-amine;N,4-diphenyl-N-[4-[9-(6-phenyl-2-pyridinyl)carbazol-3-yl]phenyl]aniline;N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)dibenzofuran-3-amine
CID 159353145
2-[3-[3-(3-carbazol-9-ylphenyl)phenyl]phenyl]-[1]benzofuro[3,2-b]pyridine
CID 122693041
2-(3H-dibenzofuran-3-id-4-yl)-6-[3-[6-(3H-dibenzofuran-3-id-4-yl)-2-pyridinyl]phenyl]pyridine;platinum(2+)
CID 159576049
[4-(3-dibenzofuran-2-yl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaen-15-yl)phenyl]-trimethylsilane;3-dibenzofuran-2-yl-15-(3,5-diphenylphenyl)-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaene;3-dibenzofuran-2-yl-15-phenyl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaene;3-dibenzofuran-2-yl-15-(6-phenyl-2-pyridinyl)-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaene
CID 157101517
2-[3-[3-dibenzofuran-2-yl-5-[3-(6-pyridin-3-yl-2-pyridinyl)phenyl]phenyl]phenyl]-6-pyridin-3-ylpyridine;2-[3-[3-dibenzofuran-2-yl-5-[3-(6-pyridin-4-yl-2-pyridinyl)phenyl]phenyl]phenyl]-6-pyridin-4-ylpyridine;5-[6-[3-[3-dibenzofuran-2-yl-5-[3-(3-pyrimidin-5-ylphenyl)phenyl]phenyl]phenyl]-2-pyridinyl]pyrimidine
CID 165060977

Frequently Asked Questions

What is the IUPAC name of 7-([1]benzofuro[2,3-b]pyrrol-3-yl)-3-[6-[3-([1]benzofuro[2,3-b]pyrrol-3-yl)phenyl]-2-pyridinyl]-[1]benzofuro[2,3-b]pyrrole?
The IUPAC name of 7-([1]benzofuro[2,3-b]pyrrol-3-yl)-3-[6-[3-([1]benzofuro[2,3-b]pyrrol-3-yl)phenyl]-2-pyridinyl]-[1]benzofuro[2,3-b]pyrrole (CID 126749691) is 7-([1]benzofuro[2,3-b]pyrrol-3-yl)-3-[6-[3-([1]benzofuro[2,3-b]pyrrol-3-yl)phenyl]-2-pyridinyl]-[1]benzofuro[2,3-b]pyrrole.
What is the SMILES notation for 7-([1]benzofuro[2,3-b]pyrrol-3-yl)-3-[6-[3-([1]benzofuro[2,3-b]pyrrol-3-yl)phenyl]-2-pyridinyl]-[1]benzofuro[2,3-b]pyrrole?
The canonical SMILES for 7-([1]benzofuro[2,3-b]pyrrol-3-yl)-3-[6-[3-([1]benzofuro[2,3-b]pyrrol-3-yl)phenyl]-2-pyridinyl]-[1]benzofuro[2,3-b]pyrrole is c1cc(-c2cccc(-n3ccc4c5cc(-n6ccc7c8ccccc8oc76)ccc5oc43)n2)cc(-n2ccc3c4ccccc4oc32)c1.
What is the InChIKey of 7-([1]benzofuro[2,3-b]pyrrol-3-yl)-3-[6-[3-([1]benzofuro[2,3-b]pyrrol-3-yl)phenyl]-2-pyridinyl]-[1]benzofuro[2,3-b]pyrrole?
The InChIKey is XVVYRZBKIGYQSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H24N4O3/c1-3-12-35-28(9-1)30-17-20-43(39(30)46-35)26-8-5-7-25(23-26)34-11-6-14-38(42-34)45-22-19-32-33-24-27(15-16-37(33)48-41(32)45)44-21-18-31-29-10-2-4-13-36(29)47-40(31)44/h1-24H.
What are the key properties of 7-([1]benzofuro[2,3-b]pyrrol-3-yl)-3-[6-[3-([1]benzofuro[2,3-b]pyrrol-3-yl)phenyl]-2-pyridinyl]-[1]benzofuro[2,3-b]pyrrole?
7-([1]benzofuro[2,3-b]pyrrol-3-yl)-3-[6-[3-([1]benzofuro[2,3-b]pyrrol-3-yl)phenyl]-2-pyridinyl]-[1]benzofuro[2,3-b]pyrrole has a molecular weight of 620.67 g/mol, XLogP of 10.82, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-([1]benzofuro[2,3-b]pyrrol-3-yl)-3-[6-[3-([1]benzofuro[2,3-b]pyrrol-3-yl)phenyl]-2-pyridinyl]-[1]benzofuro[2,3-b]pyrrole is sourced from PubChem (CID 126749691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).