2-dibenzofuran-2-yl-1-(9-dibenzofuran-2-ylcarbazol-4-yl)-9-phenylcarbazole;2-dibenzofuran-2-yl-1-(9-dibenzofuran-4-ylcarbazol-4-yl)-9-phenylcarbazole;2-dibenzofuran-2-yl-9-phenyl-1-[9-(9-phenylcarbazol-3-yl)carbazol-4-yl]carbazole

C168H101N7O5 — CID 160575658

IUPAC2-dibenzofuran-2-yl-1-(9-dibenzofuran-2-ylcarbazol-4-yl)-9-phenylcarbazole;2-dibenzofuran-2-yl-1-(9-dibenzofuran-4-ylcarbazol-4-yl)-9-phenylcarbazole;2-dibenzofuran-2-yl-9-phenyl-1-[9-(9-phenylcarbazol-3-yl)carbazol-4-yl]carbazole
SMILESc1ccc(-n2c3ccccc3c3cc(-n4c5ccccc5c5c(-c6c(-c7ccc8oc9ccccc9c8c7)ccc7c8ccccc8n(-c8ccccc8)c67)cccc54)ccc32)cc1.c1ccc(-n2c3ccccc3c3ccc(-c4ccc5oc6ccccc6c5c4)c(-c4cccc5c4c4ccccc4n5-c4ccc5oc6ccccc6c5c4)c32)cc1.c1ccc(-n2c3ccccc3c3ccc(-c4ccc5oc6ccccc6c5c4)c(-c4cccc5c4c4ccccc4n5-c4cccc5c4oc4ccccc45)c32)cc1
InChIInChI=1S/C60H37N3O.2C54H32N2O2/c1-3-16-39(17-4-1)61-51-25-11-8-21-44(51)49-37-41(31-34-54(49)61)62-53-27-13-9-23-47(53)58-48(24-15-28-55(58)62)59-42(38-30-35-57-50(36-38)45-22-10-14-29-56(45)64-57)32-33-46-43-20-7-12-26-52(43)63(60(46)59)40-18-5-2-6-19-40;1-2-14-34(15-3-1)55-44-22-8-4-16-36(44)39-30-29-35(33-28-31-50-43(32-33)38-18-7-10-26-48(38)57-50)52(53(39)55)42-21-13-24-46-51(42)41-19-5-9-23-45(41)56(46)47-25-12-20-40-37-17-6-11-27-49(37)58-54(40)47;1-2-13-34(14-3-1)56-45-20-8-4-15-37(45)40-28-27-36(33-25-29-50-43(31-33)38-16-6-10-23-48(38)57-50)53(54(40)56)42-19-12-22-47-52(42)41-18-5-9-21-46(41)55(47)35-26-30-51-44(32-35)39-17-7-11-24-49(39)58-51/h1-37H;2*1-32H
InChIKeyRBCOZTGTTMGMTI-UHFFFAOYSA-N
MW2297.70 g/mol
LogP46.24
Rot. Bonds13

About 2-dibenzofuran-2-yl-1-(9-dibenzofuran-2-ylcarbazol-4-yl)-9-phenylcarbazole;2-dibenzofuran-2-yl-1-(9-dibenzofuran-4-ylcarbazol-4-yl)-9-phenylcarbazole;2-dibenzofuran-2-yl-9-phenyl-1-[9-(9-phenylcarbazol-3-yl)carbazol-4-yl]carbazole

2-dibenzofuran-2-yl-1-(9-dibenzofuran-2-ylcarbazol-4-yl)-9-phenylcarbazole;2-dibenzofuran-2-yl-1-(9-dibenzofuran-4-ylcarbazol-4-yl)-9-phenylcarbazole;2-dibenzofuran-2-yl-9-phenyl-1-[9-(9-phenylcarbazol-3-yl)carbazol-4-yl]carbazole (PubChem CID 160575658) has the molecular formula C168H101N7O5 and a molecular weight of 2297.70 g/mol. Its IUPAC name is 2-dibenzofuran-2-yl-1-(9-dibenzofuran-2-ylcarbazol-4-yl)-9-phenylcarbazole;2-dibenzofuran-2-yl-1-(9-dibenzofuran-4-ylcarbazol-4-yl)-9-phenylcarbazole;2-dibenzofuran-2-yl-9-phenyl-1-[9-(9-phenylcarbazol-3-yl)carbazol-4-yl]carbazole.

Molecular Properties

Compound Name2-dibenzofuran-2-yl-1-(9-dibenzofuran-2-ylcarbazol-4-yl)-9-phenylcarbazole;2-dibenzofuran-2-yl-1-(9-dibenzofuran-4-ylcarbazol-4-yl)-9-phenylcarbazole;2-dibenzofuran-2-yl-9-phenyl-1-[9-(9-phenylcarbazol-3-yl)carbazol-4-yl]carbazole
PubChem CID160575658
Molecular FormulaC168H101N7O5
Molecular Weight2297.70 g/mol
Exact Mass2295.79
IUPAC Name2-dibenzofuran-2-yl-1-(9-dibenzofuran-2-ylcarbazol-4-yl)-9-phenylcarbazole;2-dibenzofuran-2-yl-1-(9-dibenzofuran-4-ylcarbazol-4-yl)-9-phenylcarbazole;2-dibenzofuran-2-yl-9-phenyl-1-[9-(9-phenylcarbazol-3-yl)carbazol-4-yl]carbazole
SMILESc1ccc(-n2c3ccccc3c3cc(-n4c5ccccc5c5c(-c6c(-c7ccc8oc9ccccc9c8c7)ccc7c8ccccc8n(-c8ccccc8)c67)cccc54)ccc32)cc1.c1ccc(-n2c3ccccc3c3ccc(-c4ccc5oc6ccccc6c5c4)c(-c4cccc5c4c4ccccc4n5-c4ccc5oc6ccccc6c5c4)c32)cc1.c1ccc(-n2c3ccccc3c3ccc(-c4ccc5oc6ccccc6c5c4)c(-c4cccc5c4c4ccccc4n5-c4cccc5c4oc4ccccc45)c32)cc1
InChIInChI=1S/C60H37N3O.2C54H32N2O2/c1-3-16-39(17-4-1)61-51-25-11-8-21-44(51)49-37-41(31-34-54(49)61)62-53-27-13-9-23-47(53)58-48(24-15-28-55(58)62)59-42(38-30-35-57-50(36-38)45-22-10-14-29-56(45)64-57)32-33-46-43-20-7-12-26-52(43)63(60(46)59)40-18-5-2-6-19-40;1-2-14-34(15-3-1)55-44-22-8-4-16-36(44)39-30-29-35(33-28-31-50-43(32-33)38-18-7-10-26-48(38)57-50)52(53(39)55)42-21-13-24-46-51(42)41-19-5-9-23-45(41)56(46)47-25-12-20-40-37-17-6-11-27-49(37)58-54(40)47;1-2-13-34(14-3-1)56-45-20-8-4-15-37(45)40-28-27-36(33-25-29-50-43(31-33)38-16-6-10-23-48(38)57-50)53(54(40)56)42-19-12-22-47-52(42)41-18-5-9-21-46(41)55(47)35-26-30-51-44(32-35)39-17-7-11-24-49(39)58-51/h1-37H;2*1-32H
InChIKeyRBCOZTGTTMGMTI-UHFFFAOYSA-N
XLogP46.24
TPSA100.21 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds13
Heavy Atoms180
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002297.70
LogP ≤ 546.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Analyze 2-dibenzofuran-2-yl-1-(9-dibenzofuran-2-ylcarbazol-4-yl)-9-phenylcarbazole;2-dibenzofuran-2-yl-1-(9-dibenzofuran-4-ylcarbazol-4-yl)-9-phenylcarbazole;2-dibenzofuran-2-yl-9-phenyl-1-[9-(9-phenylcarbazol-3-yl)carbazol-4-yl]carbazole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-dibenzofuran-2-yl-1-(9-dibenzofuran-2-ylcarbazol-4-yl)-9-phenylcarbazole;2-dibenzofuran-2-yl-1-(9-dibenzofuran-4-ylcarbazol-4-yl)-9-phenylcarbazole;2-dibenzofuran-2-yl-9-phenyl-1-[9-(9-phenylcarbazol-3-yl)carbazol-4-yl]carbazole?
The IUPAC name of 2-dibenzofuran-2-yl-1-(9-dibenzofuran-2-ylcarbazol-4-yl)-9-phenylcarbazole;2-dibenzofuran-2-yl-1-(9-dibenzofuran-4-ylcarbazol-4-yl)-9-phenylcarbazole;2-dibenzofuran-2-yl-9-phenyl-1-[9-(9-phenylcarbazol-3-yl)carbazol-4-yl]carbazole (CID 160575658) is 2-dibenzofuran-2-yl-1-(9-dibenzofuran-2-ylcarbazol-4-yl)-9-phenylcarbazole;2-dibenzofuran-2-yl-1-(9-dibenzofuran-4-ylcarbazol-4-yl)-9-phenylcarbazole;2-dibenzofuran-2-yl-9-phenyl-1-[9-(9-phenylcarbazol-3-yl)carbazol-4-yl]carbazole.
What is the SMILES notation for 2-dibenzofuran-2-yl-1-(9-dibenzofuran-2-ylcarbazol-4-yl)-9-phenylcarbazole;2-dibenzofuran-2-yl-1-(9-dibenzofuran-4-ylcarbazol-4-yl)-9-phenylcarbazole;2-dibenzofuran-2-yl-9-phenyl-1-[9-(9-phenylcarbazol-3-yl)carbazol-4-yl]carbazole?
The canonical SMILES for 2-dibenzofuran-2-yl-1-(9-dibenzofuran-2-ylcarbazol-4-yl)-9-phenylcarbazole;2-dibenzofuran-2-yl-1-(9-dibenzofuran-4-ylcarbazol-4-yl)-9-phenylcarbazole;2-dibenzofuran-2-yl-9-phenyl-1-[9-(9-phenylcarbazol-3-yl)carbazol-4-yl]carbazole is c1ccc(-n2c3ccccc3c3cc(-n4c5ccccc5c5c(-c6c(-c7ccc8oc9ccccc9c8c7)ccc7c8ccccc8n(-c8ccccc8)c67)cccc54)ccc32)cc1.c1ccc(-n2c3ccccc3c3ccc(-c4ccc5oc6ccccc6c5c4)c(-c4cccc5c4c4ccccc4n5-c4ccc5oc6ccccc6c5c4)c32)cc1.c1ccc(-n2c3ccccc3c3ccc(-c4ccc5oc6ccccc6c5c4)c(-c4cccc5c4c4ccccc4n5-c4cccc5c4oc4ccccc45)c32)cc1.
What is the InChIKey of 2-dibenzofuran-2-yl-1-(9-dibenzofuran-2-ylcarbazol-4-yl)-9-phenylcarbazole;2-dibenzofuran-2-yl-1-(9-dibenzofuran-4-ylcarbazol-4-yl)-9-phenylcarbazole;2-dibenzofuran-2-yl-9-phenyl-1-[9-(9-phenylcarbazol-3-yl)carbazol-4-yl]carbazole?
The InChIKey is RBCOZTGTTMGMTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H37N3O.2C54H32N2O2/c1-3-16-39(17-4-1)61-51-25-11-8-21-44(51)49-37-41(31-34-54(49)61)62-53-27-13-9-23-47(53)58-48(24-15-28-55(58)62)59-42(38-30-35-57-50(36-38)45-22-10-14-29-56(45)64-57)32-33-46-43-20-7-12-26-52(43)63(60(46)59)40-18-5-2-6-19-40;1-2-14-34(15-3-1)55-44-22-8-4-16-36(44)39-30-29-35(33-28-31-50-43(32-33)38-18-7-10-26-48(38)57-50)52(53(39)55)42-21-13-24-46-51(42)41-19-5-9-23-45(41)56(46)47-25-12-20-40-37-17-6-11-27-49(37)58-54(40)47;1-2-13-34(14-3-1)56-45-20-8-4-15-37(45)40-28-27-36(33-25-29-50-43(31-33)38-16-6-10-23-48(38)57-50)53(54(40)56)42-19-12-22-47-52(42)41-18-5-9-21-46(41)55(47)35-26-30-51-44(32-35)39-17-7-11-24-49(39)58-51/h1-37H;2*1-32H.
What are the key properties of 2-dibenzofuran-2-yl-1-(9-dibenzofuran-2-ylcarbazol-4-yl)-9-phenylcarbazole;2-dibenzofuran-2-yl-1-(9-dibenzofuran-4-ylcarbazol-4-yl)-9-phenylcarbazole;2-dibenzofuran-2-yl-9-phenyl-1-[9-(9-phenylcarbazol-3-yl)carbazol-4-yl]carbazole?
2-dibenzofuran-2-yl-1-(9-dibenzofuran-2-ylcarbazol-4-yl)-9-phenylcarbazole;2-dibenzofuran-2-yl-1-(9-dibenzofuran-4-ylcarbazol-4-yl)-9-phenylcarbazole;2-dibenzofuran-2-yl-9-phenyl-1-[9-(9-phenylcarbazol-3-yl)carbazol-4-yl]carbazole has a molecular weight of 2297.70 g/mol, XLogP of 46.24, 13 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 2-dibenzofuran-2-yl-1-(9-dibenzofuran-2-ylcarbazol-4-yl)-9-phenylcarbazole;2-dibenzofuran-2-yl-1-(9-dibenzofuran-4-ylcarbazol-4-yl)-9-phenylcarbazole;2-dibenzofuran-2-yl-9-phenyl-1-[9-(9-phenylcarbazol-3-yl)carbazol-4-yl]carbazole is sourced from PubChem (CID 160575658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).