3-[9-dibenzofuran-2-yl-6-[6-(4-fluorophenyl)-9-phenylcarbazol-3-yl]carbazol-3-yl]-6-(4-fluorophenyl)-9-phenylcarbazole

C72H43F2N3O — CID 137420869

IUPAC3-[9-dibenzofuran-2-yl-6-[6-(4-fluorophenyl)-9-phenylcarbazol-3-yl]carbazol-3-yl]-6-(4-fluorophenyl)-9-phenylcarbazole
SMILESFc1ccc(-c2ccc3c(c2)c2cc(-c4ccc5c(c4)c4cc(-c6ccc7c(c6)c6cc(-c8ccc(F)cc8)ccc6n7-c6ccccc6)ccc4n5-c4ccc5oc6ccccc6c5c4)ccc2n3-c2ccccc2)cc1
InChIInChI=1S/C72H43F2N3O/c73-52-25-15-44(16-26-52)46-19-30-65-58(37-46)60-39-48(21-32-67(60)75(65)54-9-3-1-4-10-54)50-23-34-69-62(41-50)63-42-51(24-35-70(63)77(69)56-29-36-72-64(43-56)57-13-7-8-14-71(57)78-72)49-22-33-68-61(40-49)59-38-47(45-17-27-53(74)28-18-45)20-31-66(59)76(68)55-11-5-2-6-12-55/h1-43H
InChIKeyOPKODYCXEKWVJM-UHFFFAOYSA-N
MW1004.15 g/mol
LogP19.82
Rot. Bonds7

About 3-[9-dibenzofuran-2-yl-6-[6-(4-fluorophenyl)-9-phenylcarbazol-3-yl]carbazol-3-yl]-6-(4-fluorophenyl)-9-phenylcarbazole

3-[9-dibenzofuran-2-yl-6-[6-(4-fluorophenyl)-9-phenylcarbazol-3-yl]carbazol-3-yl]-6-(4-fluorophenyl)-9-phenylcarbazole (PubChem CID 137420869) has the molecular formula C72H43F2N3O and a molecular weight of 1004.15 g/mol. Its IUPAC name is 3-[9-dibenzofuran-2-yl-6-[6-(4-fluorophenyl)-9-phenylcarbazol-3-yl]carbazol-3-yl]-6-(4-fluorophenyl)-9-phenylcarbazole.

Molecular Properties

Compound Name3-[9-dibenzofuran-2-yl-6-[6-(4-fluorophenyl)-9-phenylcarbazol-3-yl]carbazol-3-yl]-6-(4-fluorophenyl)-9-phenylcarbazole
PubChem CID137420869
Molecular FormulaC72H43F2N3O
Molecular Weight1004.15 g/mol
Exact Mass1003.34
IUPAC Name3-[9-dibenzofuran-2-yl-6-[6-(4-fluorophenyl)-9-phenylcarbazol-3-yl]carbazol-3-yl]-6-(4-fluorophenyl)-9-phenylcarbazole
SMILESFc1ccc(-c2ccc3c(c2)c2cc(-c4ccc5c(c4)c4cc(-c6ccc7c(c6)c6cc(-c8ccc(F)cc8)ccc6n7-c6ccccc6)ccc4n5-c4ccc5oc6ccccc6c5c4)ccc2n3-c2ccccc2)cc1
InChIInChI=1S/C72H43F2N3O/c73-52-25-15-44(16-26-52)46-19-30-65-58(37-46)60-39-48(21-32-67(60)75(65)54-9-3-1-4-10-54)50-23-34-69-62(41-50)63-42-51(24-35-70(63)77(69)56-29-36-72-64(43-56)57-13-7-8-14-71(57)78-72)49-22-33-68-61(40-49)59-38-47(45-17-27-53(74)28-18-45)20-31-66(59)76(68)55-11-5-2-6-12-55/h1-43H
InChIKeyOPKODYCXEKWVJM-UHFFFAOYSA-N
XLogP19.82
TPSA27.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms78
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001004.15
LogP ≤ 519.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[9-dibenzofuran-2-yl-6-[6-(4-fluorophenyl)-9-phenylcarbazol-3-yl]carbazol-3-yl]-6-(4-fluorophenyl)-9-phenylcarbazole?
The IUPAC name of 3-[9-dibenzofuran-2-yl-6-[6-(4-fluorophenyl)-9-phenylcarbazol-3-yl]carbazol-3-yl]-6-(4-fluorophenyl)-9-phenylcarbazole (CID 137420869) is 3-[9-dibenzofuran-2-yl-6-[6-(4-fluorophenyl)-9-phenylcarbazol-3-yl]carbazol-3-yl]-6-(4-fluorophenyl)-9-phenylcarbazole.
What is the SMILES notation for 3-[9-dibenzofuran-2-yl-6-[6-(4-fluorophenyl)-9-phenylcarbazol-3-yl]carbazol-3-yl]-6-(4-fluorophenyl)-9-phenylcarbazole?
The canonical SMILES for 3-[9-dibenzofuran-2-yl-6-[6-(4-fluorophenyl)-9-phenylcarbazol-3-yl]carbazol-3-yl]-6-(4-fluorophenyl)-9-phenylcarbazole is Fc1ccc(-c2ccc3c(c2)c2cc(-c4ccc5c(c4)c4cc(-c6ccc7c(c6)c6cc(-c8ccc(F)cc8)ccc6n7-c6ccccc6)ccc4n5-c4ccc5oc6ccccc6c5c4)ccc2n3-c2ccccc2)cc1.
What is the InChIKey of 3-[9-dibenzofuran-2-yl-6-[6-(4-fluorophenyl)-9-phenylcarbazol-3-yl]carbazol-3-yl]-6-(4-fluorophenyl)-9-phenylcarbazole?
The InChIKey is OPKODYCXEKWVJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C72H43F2N3O/c73-52-25-15-44(16-26-52)46-19-30-65-58(37-46)60-39-48(21-32-67(60)75(65)54-9-3-1-4-10-54)50-23-34-69-62(41-50)63-42-51(24-35-70(63)77(69)56-29-36-72-64(43-56)57-13-7-8-14-71(57)78-72)49-22-33-68-61(40-49)59-38-47(45-17-27-53(74)28-18-45)20-31-66(59)76(68)55-11-5-2-6-12-55/h1-43H.
What are the key properties of 3-[9-dibenzofuran-2-yl-6-[6-(4-fluorophenyl)-9-phenylcarbazol-3-yl]carbazol-3-yl]-6-(4-fluorophenyl)-9-phenylcarbazole?
3-[9-dibenzofuran-2-yl-6-[6-(4-fluorophenyl)-9-phenylcarbazol-3-yl]carbazol-3-yl]-6-(4-fluorophenyl)-9-phenylcarbazole has a molecular weight of 1004.15 g/mol, XLogP of 19.82, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[9-dibenzofuran-2-yl-6-[6-(4-fluorophenyl)-9-phenylcarbazol-3-yl]carbazol-3-yl]-6-(4-fluorophenyl)-9-phenylcarbazole is sourced from PubChem (CID 137420869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).