2-dibenzofuran-4-yl-1-(9-dibenzofuran-4-ylcarbazol-4-yl)-9-phenylcarbazole

C54H32N2O2 — CID 90321503

IUPAC2-dibenzofuran-4-yl-1-(9-dibenzofuran-4-ylcarbazol-4-yl)-9-phenylcarbazole
SMILESc1ccc(-n2c3ccccc3c3ccc(-c4cccc5c4oc4ccccc45)c(-c4cccc5c4c4ccccc4n5-c4cccc5c4oc4ccccc45)c32)cc1
InChIInChI=1S/C54H32N2O2/c1-2-15-33(16-3-1)55-44-25-8-4-17-34(44)38-32-31-37(41-22-12-21-39-35-18-6-10-29-48(35)57-53(39)41)51(52(38)55)43-24-14-27-46-50(43)42-20-5-9-26-45(42)56(46)47-28-13-23-40-36-19-7-11-30-49(36)58-54(40)47/h1-32H
InChIKeyWRWDEVIYIMKRCU-UHFFFAOYSA-N
MW740.86 g/mol
LogP15.01
Rot. Bonds4

About 2-dibenzofuran-4-yl-1-(9-dibenzofuran-4-ylcarbazol-4-yl)-9-phenylcarbazole

2-dibenzofuran-4-yl-1-(9-dibenzofuran-4-ylcarbazol-4-yl)-9-phenylcarbazole (PubChem CID 90321503) has the molecular formula C54H32N2O2 and a molecular weight of 740.86 g/mol. Its IUPAC name is 2-dibenzofuran-4-yl-1-(9-dibenzofuran-4-ylcarbazol-4-yl)-9-phenylcarbazole.

Molecular Properties

Compound Name2-dibenzofuran-4-yl-1-(9-dibenzofuran-4-ylcarbazol-4-yl)-9-phenylcarbazole
PubChem CID90321503
Molecular FormulaC54H32N2O2
Molecular Weight740.86 g/mol
Exact Mass740.25
IUPAC Name2-dibenzofuran-4-yl-1-(9-dibenzofuran-4-ylcarbazol-4-yl)-9-phenylcarbazole
SMILESc1ccc(-n2c3ccccc3c3ccc(-c4cccc5c4oc4ccccc45)c(-c4cccc5c4c4ccccc4n5-c4cccc5c4oc4ccccc45)c32)cc1
InChIInChI=1S/C54H32N2O2/c1-2-15-33(16-3-1)55-44-25-8-4-17-34(44)38-32-31-37(41-22-12-21-39-35-18-6-10-29-48(35)57-53(39)41)51(52(38)55)43-24-14-27-46-50(43)42-20-5-9-26-45(42)56(46)47-28-13-23-40-36-19-7-11-30-49(36)58-54(40)47/h1-32H
InChIKeyWRWDEVIYIMKRCU-UHFFFAOYSA-N
XLogP15.01
TPSA36.14 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500740.86
LogP ≤ 515.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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
12-dibenzofuran-4-yl-18-phenyl-15-oxa-12,18-diazaheptacyclo[14.11.0.02,14.05,13.06,11.017,25.019,24]heptacosa-1(16),2(14),3,5(13),6,8,10,17(25),19,21,23,26-dodecaene
CID 121369237
12-(4-dibenzofuran-4-ylphenyl)-11-phenylindolo[2,3-a]carbazole
CID 71098785
12-[4-(4-dibenzofuran-4-ylphenyl)phenyl]-11-phenylindolo[2,3-a]carbazole
CID 90191508
12-(9-dibenzofuran-4-yldibenzofuran-3-yl)-11-phenylindolo[2,3-a]carbazole
CID 170688597
12-dibenzofuran-2-yl-5-dibenzofuran-4-ylindolo[3,2-c]carbazole
CID 168744285
4-[9-(4-dibenzofuran-4-ylphenyl)carbazol-1-yl]-9-phenylcarbazole
CID 166509837
4-(9-phenylcarbazol-1-yl)-9-(1-phenyldibenzofuran-4-yl)carbazole
CID 146490407
9-(9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3(8),4,6,11,14,16,18-nonaen-7-yl)-14-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
CID 138568922
5-phenyl-12-[8-[3-(5-phenylindolo[3,2-c]carbazol-12-yl)carbazol-9-yl]dibenzofuran-4-yl]indolo[3,2-c]carbazole
CID 123179485
5-(4-dibenzofuran-4-ylnaphthalen-1-yl)-9,12-diphenylindolo[3,2-c]carbazole
CID 166588029
12-dibenzofuran-4-yl-5-(4-phenylphenyl)indolo[3,2-c]carbazole
CID 163757322

Frequently Asked Questions

What is the IUPAC name of 2-dibenzofuran-4-yl-1-(9-dibenzofuran-4-ylcarbazol-4-yl)-9-phenylcarbazole?
The IUPAC name of 2-dibenzofuran-4-yl-1-(9-dibenzofuran-4-ylcarbazol-4-yl)-9-phenylcarbazole (CID 90321503) is 2-dibenzofuran-4-yl-1-(9-dibenzofuran-4-ylcarbazol-4-yl)-9-phenylcarbazole.
What is the SMILES notation for 2-dibenzofuran-4-yl-1-(9-dibenzofuran-4-ylcarbazol-4-yl)-9-phenylcarbazole?
The canonical SMILES for 2-dibenzofuran-4-yl-1-(9-dibenzofuran-4-ylcarbazol-4-yl)-9-phenylcarbazole is c1ccc(-n2c3ccccc3c3ccc(-c4cccc5c4oc4ccccc45)c(-c4cccc5c4c4ccccc4n5-c4cccc5c4oc4ccccc45)c32)cc1.
What is the InChIKey of 2-dibenzofuran-4-yl-1-(9-dibenzofuran-4-ylcarbazol-4-yl)-9-phenylcarbazole?
The InChIKey is WRWDEVIYIMKRCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H32N2O2/c1-2-15-33(16-3-1)55-44-25-8-4-17-34(44)38-32-31-37(41-22-12-21-39-35-18-6-10-29-48(35)57-53(39)41)51(52(38)55)43-24-14-27-46-50(43)42-20-5-9-26-45(42)56(46)47-28-13-23-40-36-19-7-11-30-49(36)58-54(40)47/h1-32H.
What are the key properties of 2-dibenzofuran-4-yl-1-(9-dibenzofuran-4-ylcarbazol-4-yl)-9-phenylcarbazole?
2-dibenzofuran-4-yl-1-(9-dibenzofuran-4-ylcarbazol-4-yl)-9-phenylcarbazole has a molecular weight of 740.86 g/mol, XLogP of 15.01, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-dibenzofuran-4-yl-1-(9-dibenzofuran-4-ylcarbazol-4-yl)-9-phenylcarbazole is sourced from PubChem (CID 90321503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).