3-dibenzofuran-1-yl-6-(9-naphthalen-2-ylcarbazol-3-yl)-9-phenylcarbazole;3-dibenzofuran-2-yl-6-(9-naphthalen-2-ylcarbazol-3-yl)-9-phenylcarbazole;3-dibenzofuran-3-yl-6-(9-naphthalen-2-ylcarbazol-3-yl)-9-phenylcarbazole

C156H96N6O3 — CID 163841517

IUPAC3-dibenzofuran-1-yl-6-(9-naphthalen-2-ylcarbazol-3-yl)-9-phenylcarbazole;3-dibenzofuran-2-yl-6-(9-naphthalen-2-ylcarbazol-3-yl)-9-phenylcarbazole;3-dibenzofuran-3-yl-6-(9-naphthalen-2-ylcarbazol-3-yl)-9-phenylcarbazole
SMILESc1ccc(-n2c3ccc(-c4ccc5c(c4)c4ccccc4n5-c4ccc5ccccc5c4)cc3c3cc(-c4cccc5oc6ccccc6c45)ccc32)cc1.c1ccc(-n2c3ccc(-c4ccc5c(c4)oc4ccccc45)cc3c3cc(-c4ccc5c(c4)c4ccccc4n5-c4ccc5ccccc5c4)ccc32)cc1.c1ccc(-n2c3ccc(-c4ccc5oc6ccccc6c5c4)cc3c3cc(-c4ccc5c(c4)c4ccccc4n5-c4ccc5ccccc5c4)ccc32)cc1
InChIInChI=1S/3C52H32N2O/c1-2-13-38(14-3-1)53-48-27-23-36(31-44(48)45-32-37(24-28-49(45)53)40-17-10-20-51-52(40)42-16-7-9-19-50(42)55-51)35-22-26-47-43(30-35)41-15-6-8-18-46(41)54(47)39-25-21-33-11-4-5-12-34(33)29-39;1-2-12-39(13-3-1)53-49-26-21-36(30-45(49)46-31-37(22-27-50(46)53)38-19-24-43-42-15-7-9-17-51(42)55-52(43)32-38)35-20-25-48-44(29-35)41-14-6-8-16-47(41)54(48)40-23-18-33-10-4-5-11-34(33)28-40;1-2-12-39(13-3-1)53-49-25-20-36(30-44(49)45-31-37(21-26-50(45)53)38-22-27-52-46(32-38)42-15-7-9-17-51(42)55-52)35-19-24-48-43(29-35)41-14-6-8-16-47(41)54(48)40-23-18-33-10-4-5-11-34(33)28-40/h3*1-32H
InChIKeyOMKLOZJPUBCJRU-UHFFFAOYSA-N
MW2102.52 g/mol
LogP42.80
Rot. Bonds12

About 3-dibenzofuran-1-yl-6-(9-naphthalen-2-ylcarbazol-3-yl)-9-phenylcarbazole;3-dibenzofuran-2-yl-6-(9-naphthalen-2-ylcarbazol-3-yl)-9-phenylcarbazole;3-dibenzofuran-3-yl-6-(9-naphthalen-2-ylcarbazol-3-yl)-9-phenylcarbazole

3-dibenzofuran-1-yl-6-(9-naphthalen-2-ylcarbazol-3-yl)-9-phenylcarbazole;3-dibenzofuran-2-yl-6-(9-naphthalen-2-ylcarbazol-3-yl)-9-phenylcarbazole;3-dibenzofuran-3-yl-6-(9-naphthalen-2-ylcarbazol-3-yl)-9-phenylcarbazole (PubChem CID 163841517) has the molecular formula C156H96N6O3 and a molecular weight of 2102.52 g/mol. Its IUPAC name is 3-dibenzofuran-1-yl-6-(9-naphthalen-2-ylcarbazol-3-yl)-9-phenylcarbazole;3-dibenzofuran-2-yl-6-(9-naphthalen-2-ylcarbazol-3-yl)-9-phenylcarbazole;3-dibenzofuran-3-yl-6-(9-naphthalen-2-ylcarbazol-3-yl)-9-phenylcarbazole.

Molecular Properties

Compound Name3-dibenzofuran-1-yl-6-(9-naphthalen-2-ylcarbazol-3-yl)-9-phenylcarbazole;3-dibenzofuran-2-yl-6-(9-naphthalen-2-ylcarbazol-3-yl)-9-phenylcarbazole;3-dibenzofuran-3-yl-6-(9-naphthalen-2-ylcarbazol-3-yl)-9-phenylcarbazole
PubChem CID163841517
Molecular FormulaC156H96N6O3
Molecular Weight2102.52 g/mol
Exact Mass2100.75
IUPAC Name3-dibenzofuran-1-yl-6-(9-naphthalen-2-ylcarbazol-3-yl)-9-phenylcarbazole;3-dibenzofuran-2-yl-6-(9-naphthalen-2-ylcarbazol-3-yl)-9-phenylcarbazole;3-dibenzofuran-3-yl-6-(9-naphthalen-2-ylcarbazol-3-yl)-9-phenylcarbazole
SMILESc1ccc(-n2c3ccc(-c4ccc5c(c4)c4ccccc4n5-c4ccc5ccccc5c4)cc3c3cc(-c4cccc5oc6ccccc6c45)ccc32)cc1.c1ccc(-n2c3ccc(-c4ccc5c(c4)oc4ccccc45)cc3c3cc(-c4ccc5c(c4)c4ccccc4n5-c4ccc5ccccc5c4)ccc32)cc1.c1ccc(-n2c3ccc(-c4ccc5oc6ccccc6c5c4)cc3c3cc(-c4ccc5c(c4)c4ccccc4n5-c4ccc5ccccc5c4)ccc32)cc1
InChIInChI=1S/3C52H32N2O/c1-2-13-38(14-3-1)53-48-27-23-36(31-44(48)45-32-37(24-28-49(45)53)40-17-10-20-51-52(40)42-16-7-9-19-50(42)55-51)35-22-26-47-43(30-35)41-15-6-8-18-46(41)54(47)39-25-21-33-11-4-5-12-34(33)29-39;1-2-12-39(13-3-1)53-49-26-21-36(30-45(49)46-31-37(22-27-50(46)53)38-19-24-43-42-15-7-9-17-51(42)55-52(43)32-38)35-20-25-48-44(29-35)41-14-6-8-16-47(41)54(48)40-23-18-33-10-4-5-11-34(33)28-40;1-2-12-39(13-3-1)53-49-25-20-36(30-44(49)45-31-37(21-26-50(45)53)38-22-27-52-46(32-38)42-15-7-9-17-51(42)55-52)35-19-24-48-43(29-35)41-14-6-8-16-47(41)54(48)40-23-18-33-10-4-5-11-34(33)28-40/h3*1-32H
InChIKeyOMKLOZJPUBCJRU-UHFFFAOYSA-N
XLogP42.80
TPSA69.00 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds12
Heavy Atoms165
Complexity

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002102.52
LogP ≤ 542.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze 3-dibenzofuran-1-yl-6-(9-naphthalen-2-ylcarbazol-3-yl)-9-phenylcarbazole;3-dibenzofuran-2-yl-6-(9-naphthalen-2-ylcarbazol-3-yl)-9-phenylcarbazole;3-dibenzofuran-3-yl-6-(9-naphthalen-2-ylcarbazol-3-yl)-9-phenylcarbazole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-dibenzofuran-1-yl-6-(9-naphthalen-2-ylcarbazol-3-yl)-9-phenylcarbazole;3-dibenzofuran-2-yl-6-(9-naphthalen-2-ylcarbazol-3-yl)-9-phenylcarbazole;3-dibenzofuran-3-yl-6-(9-naphthalen-2-ylcarbazol-3-yl)-9-phenylcarbazole?
The IUPAC name of 3-dibenzofuran-1-yl-6-(9-naphthalen-2-ylcarbazol-3-yl)-9-phenylcarbazole;3-dibenzofuran-2-yl-6-(9-naphthalen-2-ylcarbazol-3-yl)-9-phenylcarbazole;3-dibenzofuran-3-yl-6-(9-naphthalen-2-ylcarbazol-3-yl)-9-phenylcarbazole (CID 163841517) is 3-dibenzofuran-1-yl-6-(9-naphthalen-2-ylcarbazol-3-yl)-9-phenylcarbazole;3-dibenzofuran-2-yl-6-(9-naphthalen-2-ylcarbazol-3-yl)-9-phenylcarbazole;3-dibenzofuran-3-yl-6-(9-naphthalen-2-ylcarbazol-3-yl)-9-phenylcarbazole.
What is the SMILES notation for 3-dibenzofuran-1-yl-6-(9-naphthalen-2-ylcarbazol-3-yl)-9-phenylcarbazole;3-dibenzofuran-2-yl-6-(9-naphthalen-2-ylcarbazol-3-yl)-9-phenylcarbazole;3-dibenzofuran-3-yl-6-(9-naphthalen-2-ylcarbazol-3-yl)-9-phenylcarbazole?
The canonical SMILES for 3-dibenzofuran-1-yl-6-(9-naphthalen-2-ylcarbazol-3-yl)-9-phenylcarbazole;3-dibenzofuran-2-yl-6-(9-naphthalen-2-ylcarbazol-3-yl)-9-phenylcarbazole;3-dibenzofuran-3-yl-6-(9-naphthalen-2-ylcarbazol-3-yl)-9-phenylcarbazole is c1ccc(-n2c3ccc(-c4ccc5c(c4)c4ccccc4n5-c4ccc5ccccc5c4)cc3c3cc(-c4cccc5oc6ccccc6c45)ccc32)cc1.c1ccc(-n2c3ccc(-c4ccc5c(c4)oc4ccccc45)cc3c3cc(-c4ccc5c(c4)c4ccccc4n5-c4ccc5ccccc5c4)ccc32)cc1.c1ccc(-n2c3ccc(-c4ccc5oc6ccccc6c5c4)cc3c3cc(-c4ccc5c(c4)c4ccccc4n5-c4ccc5ccccc5c4)ccc32)cc1.
What is the InChIKey of 3-dibenzofuran-1-yl-6-(9-naphthalen-2-ylcarbazol-3-yl)-9-phenylcarbazole;3-dibenzofuran-2-yl-6-(9-naphthalen-2-ylcarbazol-3-yl)-9-phenylcarbazole;3-dibenzofuran-3-yl-6-(9-naphthalen-2-ylcarbazol-3-yl)-9-phenylcarbazole?
The InChIKey is OMKLOZJPUBCJRU-UHFFFAOYSA-N. The full InChI is InChI=1S/3C52H32N2O/c1-2-13-38(14-3-1)53-48-27-23-36(31-44(48)45-32-37(24-28-49(45)53)40-17-10-20-51-52(40)42-16-7-9-19-50(42)55-51)35-22-26-47-43(30-35)41-15-6-8-18-46(41)54(47)39-25-21-33-11-4-5-12-34(33)29-39;1-2-12-39(13-3-1)53-49-26-21-36(30-45(49)46-31-37(22-27-50(46)53)38-19-24-43-42-15-7-9-17-51(42)55-52(43)32-38)35-20-25-48-44(29-35)41-14-6-8-16-47(41)54(48)40-23-18-33-10-4-5-11-34(33)28-40;1-2-12-39(13-3-1)53-49-25-20-36(30-44(49)45-31-37(21-26-50(45)53)38-22-27-52-46(32-38)42-15-7-9-17-51(42)55-52)35-19-24-48-43(29-35)41-14-6-8-16-47(41)54(48)40-23-18-33-10-4-5-11-34(33)28-40/h3*1-32H.
What are the key properties of 3-dibenzofuran-1-yl-6-(9-naphthalen-2-ylcarbazol-3-yl)-9-phenylcarbazole;3-dibenzofuran-2-yl-6-(9-naphthalen-2-ylcarbazol-3-yl)-9-phenylcarbazole;3-dibenzofuran-3-yl-6-(9-naphthalen-2-ylcarbazol-3-yl)-9-phenylcarbazole?
3-dibenzofuran-1-yl-6-(9-naphthalen-2-ylcarbazol-3-yl)-9-phenylcarbazole;3-dibenzofuran-2-yl-6-(9-naphthalen-2-ylcarbazol-3-yl)-9-phenylcarbazole;3-dibenzofuran-3-yl-6-(9-naphthalen-2-ylcarbazol-3-yl)-9-phenylcarbazole has a molecular weight of 2102.52 g/mol, XLogP of 42.80, 12 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-dibenzofuran-1-yl-6-(9-naphthalen-2-ylcarbazol-3-yl)-9-phenylcarbazole;3-dibenzofuran-2-yl-6-(9-naphthalen-2-ylcarbazol-3-yl)-9-phenylcarbazole;3-dibenzofuran-3-yl-6-(9-naphthalen-2-ylcarbazol-3-yl)-9-phenylcarbazole is sourced from PubChem (CID 163841517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).