2,5-di(dibenzofuran-4-yl)-1,4-dinaphthalen-2-ylpyrrolo[3,2-b]pyrrole

C50H30N2O2 — CID 145348052

IUPAC2,5-di(dibenzofuran-4-yl)-1,4-dinaphthalen-2-ylpyrrolo[3,2-b]pyrrole
SMILESc1ccc2cc(-n3c(-c4cccc5c4oc4ccccc45)cc4c3cc(-c3cccc5c3oc3ccccc35)n4-c3ccc4ccccc4c3)ccc2c1
InChIInChI=1S/C50H30N2O2/c1-3-13-33-27-35(25-23-31(33)11-1)51-43(41-19-9-17-39-37-15-5-7-21-47(37)53-49(39)41)29-46-45(51)30-44(52(46)36-26-24-32-12-2-4-14-34(32)28-36)42-20-10-18-40-38-16-6-8-22-48(38)54-50(40)42/h1-30H
InChIKeyLIWGUSIAYVQKRI-UHFFFAOYSA-N
MW690.80 g/mol
LogP13.86
Rot. Bonds4

About 2,5-di(dibenzofuran-4-yl)-1,4-dinaphthalen-2-ylpyrrolo[3,2-b]pyrrole

2,5-di(dibenzofuran-4-yl)-1,4-dinaphthalen-2-ylpyrrolo[3,2-b]pyrrole (PubChem CID 145348052) has the molecular formula C50H30N2O2 and a molecular weight of 690.80 g/mol. Its IUPAC name is 2,5-di(dibenzofuran-4-yl)-1,4-dinaphthalen-2-ylpyrrolo[3,2-b]pyrrole.

Molecular Properties

Compound Name2,5-di(dibenzofuran-4-yl)-1,4-dinaphthalen-2-ylpyrrolo[3,2-b]pyrrole
PubChem CID145348052
Molecular FormulaC50H30N2O2
Molecular Weight690.80 g/mol
Exact Mass690.23
IUPAC Name2,5-di(dibenzofuran-4-yl)-1,4-dinaphthalen-2-ylpyrrolo[3,2-b]pyrrole
SMILESc1ccc2cc(-n3c(-c4cccc5c4oc4ccccc45)cc4c3cc(-c3cccc5c3oc3ccccc35)n4-c3ccc4ccccc4c3)ccc2c1
InChIInChI=1S/C50H30N2O2/c1-3-13-33-27-35(25-23-31(33)11-1)51-43(41-19-9-17-39-37-15-5-7-21-47(37)53-49(39)41)29-46-45(51)30-44(52(46)36-26-24-32-12-2-4-14-34(32)28-36)42-20-10-18-40-38-16-6-8-22-48(38)54-50(40)42/h1-30H
InChIKeyLIWGUSIAYVQKRI-UHFFFAOYSA-N
XLogP13.86
TPSA36.14 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500690.80
LogP ≤ 513.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2,5-di(dibenzofuran-4-yl)-1,4-bis(9,9-dimethylfluoren-2-yl)pyrrolo[3,2-b]pyrrole
CID 145348092
7-(4-dibenzofuran-4-ylphenyl)-5-naphthalen-2-ylindolo[2,3-b]carbazole
CID 126580139
3-[9-(3-dibenzofuran-4-ylphenyl)carbazol-3-yl]-9-naphthalen-2-ylcarbazole
CID 155305912
15-naphthalen-2-yl-3-oxa-15-azahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1(13),2(10),4,6,8,11,14(22),16,18,20,23-undecaene
CID 118652925
6-[4-(2-dibenzofuran-4-ylcarbazol-9-yl)phenyl]-2-[6-[9-[4-(9-naphthalen-2-ylcarbazol-3-yl)phenyl]carbazol-2-yl]dibenzofuran-3-yl]-9-(4-naphthalen-2-ylphenyl)carbazole
CID 156576285
5-(4-dibenzofuran-4-ylphenyl)-2,11-diphenylindolo[3,2-b]carbazole;5-(4-dibenzofuran-4-ylphenyl)-3,11-diphenylindolo[3,2-b]carbazole;5-(4-dibenzofuran-4-ylphenyl)-11-naphthalen-2-ylindolo[3,2-b]carbazole
CID 159976213
9-[3-[10-(3-dibenzofuran-4-ylphenyl)anthracen-9-yl]phenyl]carbazole;9,10-dinaphthalen-2-ylanthracene
CID 159084891
1-(4-dibenzofuran-2-yl-6-dibenzofuran-4-yl-1,3,5-triazin-2-yl)-9-naphthalen-2-ylcarbazole
CID 170534647
6-(4-carbazol-9-ylphenyl)-2-dibenzofuran-4-yl-9-(4-naphthalen-2-ylphenyl)carbazole
CID 126682058
15-fluoranthen-2-yl-24-naphthalen-2-yl-4-oxa-15,24-diazaheptacyclo[14.11.0.02,14.03,11.05,10.017,25.018,23]heptacosa-1(16),2(14),3(11),5,7,9,12,17(25),18,20,22,26-dodecaene
CID 126678003
3-dibenzofuran-4-yl-9-(3,5-dinaphthalen-2-ylphenyl)carbazole
CID 142356877
3-dibenzofuran-4-yl-9-[3-(1-naphthalen-2-ylbenzimidazol-2-yl)phenyl]carbazole
CID 67818381

Frequently Asked Questions

What is the IUPAC name of 2,5-di(dibenzofuran-4-yl)-1,4-dinaphthalen-2-ylpyrrolo[3,2-b]pyrrole?
The IUPAC name of 2,5-di(dibenzofuran-4-yl)-1,4-dinaphthalen-2-ylpyrrolo[3,2-b]pyrrole (CID 145348052) is 2,5-di(dibenzofuran-4-yl)-1,4-dinaphthalen-2-ylpyrrolo[3,2-b]pyrrole.
What is the SMILES notation for 2,5-di(dibenzofuran-4-yl)-1,4-dinaphthalen-2-ylpyrrolo[3,2-b]pyrrole?
The canonical SMILES for 2,5-di(dibenzofuran-4-yl)-1,4-dinaphthalen-2-ylpyrrolo[3,2-b]pyrrole is c1ccc2cc(-n3c(-c4cccc5c4oc4ccccc45)cc4c3cc(-c3cccc5c3oc3ccccc35)n4-c3ccc4ccccc4c3)ccc2c1.
What is the InChIKey of 2,5-di(dibenzofuran-4-yl)-1,4-dinaphthalen-2-ylpyrrolo[3,2-b]pyrrole?
The InChIKey is LIWGUSIAYVQKRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H30N2O2/c1-3-13-33-27-35(25-23-31(33)11-1)51-43(41-19-9-17-39-37-15-5-7-21-47(37)53-49(39)41)29-46-45(51)30-44(52(46)36-26-24-32-12-2-4-14-34(32)28-36)42-20-10-18-40-38-16-6-8-22-48(38)54-50(40)42/h1-30H.
What are the key properties of 2,5-di(dibenzofuran-4-yl)-1,4-dinaphthalen-2-ylpyrrolo[3,2-b]pyrrole?
2,5-di(dibenzofuran-4-yl)-1,4-dinaphthalen-2-ylpyrrolo[3,2-b]pyrrole has a molecular weight of 690.80 g/mol, XLogP of 13.86, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-di(dibenzofuran-4-yl)-1,4-dinaphthalen-2-ylpyrrolo[3,2-b]pyrrole is sourced from PubChem (CID 145348052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).