2,5-di(dibenzofuran-4-yl)-1,4-bis(9,9-dimethylfluoren-2-yl)pyrrolo[3,2-b]pyrrole

C60H42N2O2 — CID 145348092

IUPAC2,5-di(dibenzofuran-4-yl)-1,4-bis(9,9-dimethylfluoren-2-yl)pyrrolo[3,2-b]pyrrole
SMILESCC1(C)c2ccccc2-c2ccc(-n3c(-c4cccc5c4oc4ccccc45)cc4c3cc(-c3cccc5c3oc3ccccc35)n4-c3ccc4c(c3)C(C)(C)c3ccccc3-4)cc21
InChIInChI=1S/C60H42N2O2/c1-59(2)47-23-9-5-15-37(47)39-29-27-35(31-49(39)59)61-51(45-21-13-19-43-41-17-7-11-25-55(41)63-57(43)45)33-54-53(61)34-52(46-22-14-20-44-42-18-8-12-26-56(42)64-58(44)46)62(54)36-28-30-40-38-16-6-10-24-48(38)60(3,4)50(40)32-36/h5-34H,1-4H3
InChIKeyFMYYBAXFJNQCCT-UHFFFAOYSA-N
MW823.01 g/mol
LogP16.17
Rot. Bonds4

About 2,5-di(dibenzofuran-4-yl)-1,4-bis(9,9-dimethylfluoren-2-yl)pyrrolo[3,2-b]pyrrole

2,5-di(dibenzofuran-4-yl)-1,4-bis(9,9-dimethylfluoren-2-yl)pyrrolo[3,2-b]pyrrole (PubChem CID 145348092) has the molecular formula C60H42N2O2 and a molecular weight of 823.01 g/mol. Its IUPAC name is 2,5-di(dibenzofuran-4-yl)-1,4-bis(9,9-dimethylfluoren-2-yl)pyrrolo[3,2-b]pyrrole.

Molecular Properties

Compound Name2,5-di(dibenzofuran-4-yl)-1,4-bis(9,9-dimethylfluoren-2-yl)pyrrolo[3,2-b]pyrrole
PubChem CID145348092
Molecular FormulaC60H42N2O2
Molecular Weight823.01 g/mol
Exact Mass822.32
IUPAC Name2,5-di(dibenzofuran-4-yl)-1,4-bis(9,9-dimethylfluoren-2-yl)pyrrolo[3,2-b]pyrrole
SMILESCC1(C)c2ccccc2-c2ccc(-n3c(-c4cccc5c4oc4ccccc45)cc4c3cc(-c3cccc5c3oc3ccccc35)n4-c3ccc4c(c3)C(C)(C)c3ccccc3-4)cc21
InChIInChI=1S/C60H42N2O2/c1-59(2)47-23-9-5-15-37(47)39-29-27-35(31-49(39)59)61-51(45-21-13-19-43-41-17-7-11-25-55(41)63-57(43)45)33-54-53(61)34-52(46-22-14-20-44-42-18-8-12-26-56(42)64-58(44)46)62(54)36-28-30-40-38-16-6-10-24-48(38)60(3,4)50(40)32-36/h5-34H,1-4H3
InChIKeyFMYYBAXFJNQCCT-UHFFFAOYSA-N
XLogP16.17
TPSA36.14 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500823.01
LogP ≤ 516.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2,5-di(dibenzofuran-4-yl)-1,4-dinaphthalen-2-ylpyrrolo[3,2-b]pyrrole
CID 145348052
N-(7-carbazol-9-yl-9,9-dimethylfluoren-2-yl)-N-(9,9-dimethylfluoren-2-yl)dibenzofuran-4-amine
CID 67964581
3-dibenzofuran-2-yl-9-(4-dibenzofuran-4-ylphenyl)-6-(9,9-dimethylfluoren-2-yl)carbazole
CID 121449411
5-(7-dibenzofuran-4-yl-9,9-dimethylfluoren-2-yl)-[1]benzofuro[3,2-c]carbazole
CID 90225202
9-[9,10-bis(9,9-dimethylfluoren-2-yl)anthracen-2-yl]-3-dibenzofuran-4-ylcarbazole
CID 87156778
2-(4-dibenzofuran-4-ylphenyl)-1-(9,9-dimethylfluoren-2-yl)benzimidazole
CID 58309665
15-(9,9-dimethylfluoren-2-yl)-19-phenyl-4-oxa-15,19-diazaheptacyclo[14.11.0.02,14.03,11.05,10.018,26.020,25]heptacosa-1(16),2(14),3(11),5,7,9,12,17,20,22,24,26-dodecaene
CID 118545892
7-(4-dibenzofuran-4-ylphenyl)-5-(11,11-dimethylbenzo[b]fluoren-2-yl)indolo[2,3-b]carbazole
CID 126580142
3,6-di(dibenzofuran-4-yl)-9-(12,12-dimethylfluoreno[2,1-b][1]benzofuran-10-yl)carbazole
CID 118098971
5-dibenzofuran-4-yl-2-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]-[1]benzofuro[3,2-c]carbazole
CID 90191437
7-carbazol-9-yl-N-[4-[3-[3-[4-(4-dibenzofuran-4-yl-N-(4-dibenzofuran-4-ylphenyl)anilino)phenyl]phenyl]phenyl]phenyl]-N-(4-dibenzofuran-4-ylphenyl)-9,9-dimethylfluoren-2-amine
CID 88848908
9-(9,9-dimethylfluoren-2-yl)-21-phenyl-18-oxa-9,21-diazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12,14,16,19,22,24,26-dodecaene
CID 118635053

Frequently Asked Questions

What is the IUPAC name of 2,5-di(dibenzofuran-4-yl)-1,4-bis(9,9-dimethylfluoren-2-yl)pyrrolo[3,2-b]pyrrole?
The IUPAC name of 2,5-di(dibenzofuran-4-yl)-1,4-bis(9,9-dimethylfluoren-2-yl)pyrrolo[3,2-b]pyrrole (CID 145348092) is 2,5-di(dibenzofuran-4-yl)-1,4-bis(9,9-dimethylfluoren-2-yl)pyrrolo[3,2-b]pyrrole.
What is the SMILES notation for 2,5-di(dibenzofuran-4-yl)-1,4-bis(9,9-dimethylfluoren-2-yl)pyrrolo[3,2-b]pyrrole?
The canonical SMILES for 2,5-di(dibenzofuran-4-yl)-1,4-bis(9,9-dimethylfluoren-2-yl)pyrrolo[3,2-b]pyrrole is CC1(C)c2ccccc2-c2ccc(-n3c(-c4cccc5c4oc4ccccc45)cc4c3cc(-c3cccc5c3oc3ccccc35)n4-c3ccc4c(c3)C(C)(C)c3ccccc3-4)cc21.
What is the InChIKey of 2,5-di(dibenzofuran-4-yl)-1,4-bis(9,9-dimethylfluoren-2-yl)pyrrolo[3,2-b]pyrrole?
The InChIKey is FMYYBAXFJNQCCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H42N2O2/c1-59(2)47-23-9-5-15-37(47)39-29-27-35(31-49(39)59)61-51(45-21-13-19-43-41-17-7-11-25-55(41)63-57(43)45)33-54-53(61)34-52(46-22-14-20-44-42-18-8-12-26-56(42)64-58(44)46)62(54)36-28-30-40-38-16-6-10-24-48(38)60(3,4)50(40)32-36/h5-34H,1-4H3.
What are the key properties of 2,5-di(dibenzofuran-4-yl)-1,4-bis(9,9-dimethylfluoren-2-yl)pyrrolo[3,2-b]pyrrole?
2,5-di(dibenzofuran-4-yl)-1,4-bis(9,9-dimethylfluoren-2-yl)pyrrolo[3,2-b]pyrrole has a molecular weight of 823.01 g/mol, XLogP of 16.17, 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-bis(9,9-dimethylfluoren-2-yl)pyrrolo[3,2-b]pyrrole is sourced from PubChem (CID 145348092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).