2,5-bis(1-benzofuran-2-yl)-1,4-bis(4-methylphenyl)pyrrolo[3,2-b]pyrrole

C36H26N2O2 — CID 90119948

IUPAC2,5-bis(1-benzofuran-2-yl)-1,4-bis(4-methylphenyl)pyrrolo[3,2-b]pyrrole
SMILESCc1ccc(-n2c(-c3cc4ccccc4o3)cc3c2cc(-c2cc4ccccc4o2)n3-c2ccc(C)cc2)cc1
InChIInChI=1S/C36H26N2O2/c1-23-11-15-27(16-12-23)37-29-21-32(36-20-26-8-4-6-10-34(26)40-36)38(28-17-13-24(2)14-18-28)30(29)22-31(37)35-19-25-7-3-5-9-33(25)39-35/h3-22H,1-2H3
InChIKeyPLFVOKSZFASZKB-UHFFFAOYSA-N
MW518.62 g/mol
LogP9.86
Rot. Bonds4

About 2,5-bis(1-benzofuran-2-yl)-1,4-bis(4-methylphenyl)pyrrolo[3,2-b]pyrrole

2,5-bis(1-benzofuran-2-yl)-1,4-bis(4-methylphenyl)pyrrolo[3,2-b]pyrrole (PubChem CID 90119948) has the molecular formula C36H26N2O2 and a molecular weight of 518.62 g/mol. Its IUPAC name is 2,5-bis(1-benzofuran-2-yl)-1,4-bis(4-methylphenyl)pyrrolo[3,2-b]pyrrole.

Molecular Properties

Compound Name2,5-bis(1-benzofuran-2-yl)-1,4-bis(4-methylphenyl)pyrrolo[3,2-b]pyrrole
PubChem CID90119948
Molecular FormulaC36H26N2O2
Molecular Weight518.62 g/mol
Exact Mass518.20
IUPAC Name2,5-bis(1-benzofuran-2-yl)-1,4-bis(4-methylphenyl)pyrrolo[3,2-b]pyrrole
SMILESCc1ccc(-n2c(-c3cc4ccccc4o3)cc3c2cc(-c2cc4ccccc4o2)n3-c2ccc(C)cc2)cc1
InChIInChI=1S/C36H26N2O2/c1-23-11-15-27(16-12-23)37-29-21-32(36-20-26-8-4-6-10-34(26)40-36)38(28-17-13-24(2)14-18-28)30(29)22-31(37)35-19-25-7-3-5-9-33(25)39-35/h3-22H,1-2H3
InChIKeyPLFVOKSZFASZKB-UHFFFAOYSA-N
XLogP9.86
TPSA36.14 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500518.62
LogP ≤ 59.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-[9-[4-(1-benzofuran-2-yl)phenyl]carbazol-3-yl]-9-phenylcarbazole
CID 70659036
1,2-bis(4-methylphenyl)indole
CID 151814608
2-[3,6-bis(1-benzofuran-2-yl)-8-(4-methylphenyl)pyren-1-yl]-1-benzofuran
CID 145470072
1-(4-methylphenyl)-2-naphthalen-1-ylindole
CID 177416658
2-[4-(3-methylphenyl)phenyl]-1-benzofuran
CID 132966930
3-(1-benzofuran-2-yl)-1-[(4-methylphenyl)methyl]pyrazole
CID 99964612
5-(1-benzofuran-2-yl)-2-methylpyridine
CID 146179500
9-[3-[4-(1-benzofuran-2-yl)-6-phenyl-1,3,5-triazin-2-yl]-5-carbazol-9-ylphenyl]carbazole
CID 146183097
3-[4-[5-[4-(1-benzofuran-2-yl)phenyl]oxolan-2-yl]phenyl]-9-phenylcarbazole
CID 143850973
2-[5-(1-benzofuran-2-yl)-1-methylpyrrol-2-yl]ethanamine
CID 82387904
3-[4-acetyl-1-(4-chlorophenyl)-5-methylpyrrol-2-yl]chromen-2-one
CID 102442482
3-[9-[3-(1-benzofuran-2-yl)phenyl]carbazol-3-yl]-9-phenylcarbazole;3-[9-[3-(1-benzofuran-3-yl)phenyl]carbazol-3-yl]-9-phenylcarbazole;3-[9-[4-(1-benzofuran-2-yl)phenyl]carbazol-3-yl]-9-phenylcarbazole;3-[9-[4-(1-benzofuran-3-yl)phenyl]carbazol-3-yl]-9-phenylcarbazole
CID 157337313

Frequently Asked Questions

What is the IUPAC name of 2,5-bis(1-benzofuran-2-yl)-1,4-bis(4-methylphenyl)pyrrolo[3,2-b]pyrrole?
The IUPAC name of 2,5-bis(1-benzofuran-2-yl)-1,4-bis(4-methylphenyl)pyrrolo[3,2-b]pyrrole (CID 90119948) is 2,5-bis(1-benzofuran-2-yl)-1,4-bis(4-methylphenyl)pyrrolo[3,2-b]pyrrole.
What is the SMILES notation for 2,5-bis(1-benzofuran-2-yl)-1,4-bis(4-methylphenyl)pyrrolo[3,2-b]pyrrole?
The canonical SMILES for 2,5-bis(1-benzofuran-2-yl)-1,4-bis(4-methylphenyl)pyrrolo[3,2-b]pyrrole is Cc1ccc(-n2c(-c3cc4ccccc4o3)cc3c2cc(-c2cc4ccccc4o2)n3-c2ccc(C)cc2)cc1.
What is the InChIKey of 2,5-bis(1-benzofuran-2-yl)-1,4-bis(4-methylphenyl)pyrrolo[3,2-b]pyrrole?
The InChIKey is PLFVOKSZFASZKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H26N2O2/c1-23-11-15-27(16-12-23)37-29-21-32(36-20-26-8-4-6-10-34(26)40-36)38(28-17-13-24(2)14-18-28)30(29)22-31(37)35-19-25-7-3-5-9-33(25)39-35/h3-22H,1-2H3.
What are the key properties of 2,5-bis(1-benzofuran-2-yl)-1,4-bis(4-methylphenyl)pyrrolo[3,2-b]pyrrole?
2,5-bis(1-benzofuran-2-yl)-1,4-bis(4-methylphenyl)pyrrolo[3,2-b]pyrrole has a molecular weight of 518.62 g/mol, XLogP of 9.86, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-bis(1-benzofuran-2-yl)-1,4-bis(4-methylphenyl)pyrrolo[3,2-b]pyrrole is sourced from PubChem (CID 90119948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).