3-dibenzofuran-4-yl-6-(7,7-dimethylfluoreno[4,3-b][1]benzofuran-10-yl)-9-phenylcarbazole;3-dibenzofuran-4-yl-6-(12,12-dimethylfluoreno[2,1-b][1]benzofuran-10-yl)-9-phenylcarbazole;6-dibenzofuran-4-yl-2-(7,7-dimethylfluoreno[5,6-b][1]benzofuran-9-yl)-9-phenylcarbazole

C153H99N3O6 — CID 158774587

IUPAC3-dibenzofuran-4-yl-6-(7,7-dimethylfluoreno[4,3-b][1]benzofuran-10-yl)-9-phenylcarbazole;3-dibenzofuran-4-yl-6-(12,12-dimethylfluoreno[2,1-b][1]benzofuran-10-yl)-9-phenylcarbazole;6-dibenzofuran-4-yl-2-(7,7-dimethylfluoreno[5,6-b][1]benzofuran-9-yl)-9-phenylcarbazole
SMILESCC1(C)c2cc(-c3ccc4c(c3)c3cc(-c5cccc6c5oc5ccccc56)ccc3n4-c3ccccc3)ccc2-c2ccc3oc4ccccc4c3c21.CC1(C)c2cc(-c3ccc4c5cc(-c6cccc7c6oc6ccccc67)ccc5n(-c5ccccc5)c4c3)ccc2-c2c1ccc1c2oc2ccccc21.CC1(C)c2ccc(-c3ccc4c(c3)c3cc(-c5cccc6c5oc5ccccc56)ccc3n4-c3ccccc3)cc2-c2c1ccc1c2oc2ccccc21
InChIInChI=1S/3C51H33NO2/c1-51(2)42-23-19-30(28-41(42)48-43(51)24-22-38-36-14-7-9-18-47(36)54-50(38)48)31-20-25-44-39(27-31)40-29-32(21-26-45(40)52(44)33-11-4-3-5-12-33)34-15-10-16-37-35-13-6-8-17-46(35)53-49(34)37;1-51(2)42-29-31(19-22-35(42)37-23-26-47-48(49(37)51)39-14-7-9-18-46(39)53-47)30-20-24-43-40(27-30)41-28-32(21-25-44(41)52(43)33-11-4-3-5-12-33)34-15-10-16-38-36-13-6-8-17-45(36)54-50(34)38;1-51(2)42-25-24-39-37-14-7-9-18-47(37)54-50(39)48(42)40-23-20-30(28-43(40)51)31-19-22-35-41-27-32(21-26-44(41)52(45(35)29-31)33-11-4-3-5-12-33)34-15-10-16-38-36-13-6-8-17-46(36)53-49(34)38/h3*3-29H,1-2H3
InChIKeyIQHUPZORUOHLAV-UHFFFAOYSA-N
MW2075.49 g/mol
LogP42.67
Rot. Bonds9

About 3-dibenzofuran-4-yl-6-(7,7-dimethylfluoreno[4,3-b][1]benzofuran-10-yl)-9-phenylcarbazole;3-dibenzofuran-4-yl-6-(12,12-dimethylfluoreno[2,1-b][1]benzofuran-10-yl)-9-phenylcarbazole;6-dibenzofuran-4-yl-2-(7,7-dimethylfluoreno[5,6-b][1]benzofuran-9-yl)-9-phenylcarbazole

3-dibenzofuran-4-yl-6-(7,7-dimethylfluoreno[4,3-b][1]benzofuran-10-yl)-9-phenylcarbazole;3-dibenzofuran-4-yl-6-(12,12-dimethylfluoreno[2,1-b][1]benzofuran-10-yl)-9-phenylcarbazole;6-dibenzofuran-4-yl-2-(7,7-dimethylfluoreno[5,6-b][1]benzofuran-9-yl)-9-phenylcarbazole (PubChem CID 158774587) has the molecular formula C153H99N3O6 and a molecular weight of 2075.49 g/mol. Its IUPAC name is 3-dibenzofuran-4-yl-6-(7,7-dimethylfluoreno[4,3-b][1]benzofuran-10-yl)-9-phenylcarbazole;3-dibenzofuran-4-yl-6-(12,12-dimethylfluoreno[2,1-b][1]benzofuran-10-yl)-9-phenylcarbazole;6-dibenzofuran-4-yl-2-(7,7-dimethylfluoreno[5,6-b][1]benzofuran-9-yl)-9-phenylcarbazole.

Molecular Properties

Compound Name3-dibenzofuran-4-yl-6-(7,7-dimethylfluoreno[4,3-b][1]benzofuran-10-yl)-9-phenylcarbazole;3-dibenzofuran-4-yl-6-(12,12-dimethylfluoreno[2,1-b][1]benzofuran-10-yl)-9-phenylcarbazole;6-dibenzofuran-4-yl-2-(7,7-dimethylfluoreno[5,6-b][1]benzofuran-9-yl)-9-phenylcarbazole
PubChem CID158774587
Molecular FormulaC153H99N3O6
Molecular Weight2075.49 g/mol
Exact Mass2073.75
IUPAC Name3-dibenzofuran-4-yl-6-(7,7-dimethylfluoreno[4,3-b][1]benzofuran-10-yl)-9-phenylcarbazole;3-dibenzofuran-4-yl-6-(12,12-dimethylfluoreno[2,1-b][1]benzofuran-10-yl)-9-phenylcarbazole;6-dibenzofuran-4-yl-2-(7,7-dimethylfluoreno[5,6-b][1]benzofuran-9-yl)-9-phenylcarbazole
SMILESCC1(C)c2cc(-c3ccc4c(c3)c3cc(-c5cccc6c5oc5ccccc56)ccc3n4-c3ccccc3)ccc2-c2ccc3oc4ccccc4c3c21.CC1(C)c2cc(-c3ccc4c5cc(-c6cccc7c6oc6ccccc67)ccc5n(-c5ccccc5)c4c3)ccc2-c2c1ccc1c2oc2ccccc21.CC1(C)c2ccc(-c3ccc4c(c3)c3cc(-c5cccc6c5oc5ccccc56)ccc3n4-c3ccccc3)cc2-c2c1ccc1c2oc2ccccc21
InChIInChI=1S/3C51H33NO2/c1-51(2)42-23-19-30(28-41(42)48-43(51)24-22-38-36-14-7-9-18-47(36)54-50(38)48)31-20-25-44-39(27-31)40-29-32(21-26-45(40)52(44)33-11-4-3-5-12-33)34-15-10-16-37-35-13-6-8-17-46(35)53-49(34)37;1-51(2)42-29-31(19-22-35(42)37-23-26-47-48(49(37)51)39-14-7-9-18-46(39)53-47)30-20-24-43-40(27-30)41-28-32(21-25-44(41)52(43)33-11-4-3-5-12-33)34-15-10-16-38-36-13-6-8-17-45(36)54-50(34)38;1-51(2)42-25-24-39-37-14-7-9-18-47(37)54-50(39)48(42)40-23-20-30(28-43(40)51)31-19-22-35-41-27-32(21-26-44(41)52(45(35)29-31)33-11-4-3-5-12-33)34-15-10-16-38-36-13-6-8-17-46(36)53-49(34)38/h3*3-29H,1-2H3
InChIKeyIQHUPZORUOHLAV-UHFFFAOYSA-N
XLogP42.67
TPSA93.63 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms162
Complexity

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002075.49
LogP ≤ 542.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze 3-dibenzofuran-4-yl-6-(7,7-dimethylfluoreno[4,3-b][1]benzofuran-10-yl)-9-phenylcarbazole;3-dibenzofuran-4-yl-6-(12,12-dimethylfluoreno[2,1-b][1]benzofuran-10-yl)-9-phenylcarbazole;6-dibenzofuran-4-yl-2-(7,7-dimethylfluoreno[5,6-b][1]benzofuran-9-yl)-9-phenylcarbazole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-dibenzofuran-4-yl-6-(7,7-dimethylfluoreno[4,3-b][1]benzofuran-10-yl)-9-phenylcarbazole;3-dibenzofuran-4-yl-6-(12,12-dimethylfluoreno[2,1-b][1]benzofuran-10-yl)-9-phenylcarbazole;6-dibenzofuran-4-yl-2-(7,7-dimethylfluoreno[5,6-b][1]benzofuran-9-yl)-9-phenylcarbazole?
The IUPAC name of 3-dibenzofuran-4-yl-6-(7,7-dimethylfluoreno[4,3-b][1]benzofuran-10-yl)-9-phenylcarbazole;3-dibenzofuran-4-yl-6-(12,12-dimethylfluoreno[2,1-b][1]benzofuran-10-yl)-9-phenylcarbazole;6-dibenzofuran-4-yl-2-(7,7-dimethylfluoreno[5,6-b][1]benzofuran-9-yl)-9-phenylcarbazole (CID 158774587) is 3-dibenzofuran-4-yl-6-(7,7-dimethylfluoreno[4,3-b][1]benzofuran-10-yl)-9-phenylcarbazole;3-dibenzofuran-4-yl-6-(12,12-dimethylfluoreno[2,1-b][1]benzofuran-10-yl)-9-phenylcarbazole;6-dibenzofuran-4-yl-2-(7,7-dimethylfluoreno[5,6-b][1]benzofuran-9-yl)-9-phenylcarbazole.
What is the SMILES notation for 3-dibenzofuran-4-yl-6-(7,7-dimethylfluoreno[4,3-b][1]benzofuran-10-yl)-9-phenylcarbazole;3-dibenzofuran-4-yl-6-(12,12-dimethylfluoreno[2,1-b][1]benzofuran-10-yl)-9-phenylcarbazole;6-dibenzofuran-4-yl-2-(7,7-dimethylfluoreno[5,6-b][1]benzofuran-9-yl)-9-phenylcarbazole?
The canonical SMILES for 3-dibenzofuran-4-yl-6-(7,7-dimethylfluoreno[4,3-b][1]benzofuran-10-yl)-9-phenylcarbazole;3-dibenzofuran-4-yl-6-(12,12-dimethylfluoreno[2,1-b][1]benzofuran-10-yl)-9-phenylcarbazole;6-dibenzofuran-4-yl-2-(7,7-dimethylfluoreno[5,6-b][1]benzofuran-9-yl)-9-phenylcarbazole is CC1(C)c2cc(-c3ccc4c(c3)c3cc(-c5cccc6c5oc5ccccc56)ccc3n4-c3ccccc3)ccc2-c2ccc3oc4ccccc4c3c21.CC1(C)c2cc(-c3ccc4c5cc(-c6cccc7c6oc6ccccc67)ccc5n(-c5ccccc5)c4c3)ccc2-c2c1ccc1c2oc2ccccc21.CC1(C)c2ccc(-c3ccc4c(c3)c3cc(-c5cccc6c5oc5ccccc56)ccc3n4-c3ccccc3)cc2-c2c1ccc1c2oc2ccccc21.
What is the InChIKey of 3-dibenzofuran-4-yl-6-(7,7-dimethylfluoreno[4,3-b][1]benzofuran-10-yl)-9-phenylcarbazole;3-dibenzofuran-4-yl-6-(12,12-dimethylfluoreno[2,1-b][1]benzofuran-10-yl)-9-phenylcarbazole;6-dibenzofuran-4-yl-2-(7,7-dimethylfluoreno[5,6-b][1]benzofuran-9-yl)-9-phenylcarbazole?
The InChIKey is IQHUPZORUOHLAV-UHFFFAOYSA-N. The full InChI is InChI=1S/3C51H33NO2/c1-51(2)42-23-19-30(28-41(42)48-43(51)24-22-38-36-14-7-9-18-47(36)54-50(38)48)31-20-25-44-39(27-31)40-29-32(21-26-45(40)52(44)33-11-4-3-5-12-33)34-15-10-16-37-35-13-6-8-17-46(35)53-49(34)37;1-51(2)42-29-31(19-22-35(42)37-23-26-47-48(49(37)51)39-14-7-9-18-46(39)53-47)30-20-24-43-40(27-30)41-28-32(21-25-44(41)52(43)33-11-4-3-5-12-33)34-15-10-16-38-36-13-6-8-17-45(36)54-50(34)38;1-51(2)42-25-24-39-37-14-7-9-18-47(37)54-50(39)48(42)40-23-20-30(28-43(40)51)31-19-22-35-41-27-32(21-26-44(41)52(45(35)29-31)33-11-4-3-5-12-33)34-15-10-16-38-36-13-6-8-17-46(36)53-49(34)38/h3*3-29H,1-2H3.
What are the key properties of 3-dibenzofuran-4-yl-6-(7,7-dimethylfluoreno[4,3-b][1]benzofuran-10-yl)-9-phenylcarbazole;3-dibenzofuran-4-yl-6-(12,12-dimethylfluoreno[2,1-b][1]benzofuran-10-yl)-9-phenylcarbazole;6-dibenzofuran-4-yl-2-(7,7-dimethylfluoreno[5,6-b][1]benzofuran-9-yl)-9-phenylcarbazole?
3-dibenzofuran-4-yl-6-(7,7-dimethylfluoreno[4,3-b][1]benzofuran-10-yl)-9-phenylcarbazole;3-dibenzofuran-4-yl-6-(12,12-dimethylfluoreno[2,1-b][1]benzofuran-10-yl)-9-phenylcarbazole;6-dibenzofuran-4-yl-2-(7,7-dimethylfluoreno[5,6-b][1]benzofuran-9-yl)-9-phenylcarbazole has a molecular weight of 2075.49 g/mol, XLogP of 42.67, 9 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-dibenzofuran-4-yl-6-(7,7-dimethylfluoreno[4,3-b][1]benzofuran-10-yl)-9-phenylcarbazole;3-dibenzofuran-4-yl-6-(12,12-dimethylfluoreno[2,1-b][1]benzofuran-10-yl)-9-phenylcarbazole;6-dibenzofuran-4-yl-2-(7,7-dimethylfluoreno[5,6-b][1]benzofuran-9-yl)-9-phenylcarbazole is sourced from PubChem (CID 158774587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).