3-[9-[4,6-bis(8-fluorodibenzofuran-2-yl)-1,3,5-triazin-2-yl]carbazol-3-yl]-9-phenylcarbazole

C57H31F2N5O2 — CID 121276731

IUPAC3-[9-[4,6-bis(8-fluorodibenzofuran-2-yl)-1,3,5-triazin-2-yl]carbazol-3-yl]-9-phenylcarbazole
SMILESFc1ccc2oc3ccc(-c4nc(-c5ccc6oc7ccc(F)cc7c6c5)nc(-n5c6ccccc6c6cc(-c7ccc8c(c7)c7ccccc7n8-c7ccccc7)ccc65)n4)cc3c2c1
InChIInChI=1S/C57H31F2N5O2/c58-36-18-24-53-45(30-36)43-28-34(16-22-51(43)65-53)55-60-56(35-17-23-52-44(29-35)46-31-37(59)19-25-54(46)66-52)62-57(61-55)64-48-13-7-5-11-40(48)42-27-33(15-21-50(42)64)32-14-20-49-41(26-32)39-10-4-6-12-47(39)63(49)38-8-2-1-3-9-38/h1-31H
InChIKeyVHRYHEKZQQGSLA-UHFFFAOYSA-N
MW855.90 g/mol
LogP15.14
Rot. Bonds5

About 3-[9-[4,6-bis(8-fluorodibenzofuran-2-yl)-1,3,5-triazin-2-yl]carbazol-3-yl]-9-phenylcarbazole

3-[9-[4,6-bis(8-fluorodibenzofuran-2-yl)-1,3,5-triazin-2-yl]carbazol-3-yl]-9-phenylcarbazole (PubChem CID 121276731) has the molecular formula C57H31F2N5O2 and a molecular weight of 855.90 g/mol. Its IUPAC name is 3-[9-[4,6-bis(8-fluorodibenzofuran-2-yl)-1,3,5-triazin-2-yl]carbazol-3-yl]-9-phenylcarbazole.

Molecular Properties

Compound Name3-[9-[4,6-bis(8-fluorodibenzofuran-2-yl)-1,3,5-triazin-2-yl]carbazol-3-yl]-9-phenylcarbazole
PubChem CID121276731
Molecular FormulaC57H31F2N5O2
Molecular Weight855.90 g/mol
Exact Mass855.24
IUPAC Name3-[9-[4,6-bis(8-fluorodibenzofuran-2-yl)-1,3,5-triazin-2-yl]carbazol-3-yl]-9-phenylcarbazole
SMILESFc1ccc2oc3ccc(-c4nc(-c5ccc6oc7ccc(F)cc7c6c5)nc(-n5c6ccccc6c6cc(-c7ccc8c(c7)c7ccccc7n8-c7ccccc7)ccc65)n4)cc3c2c1
InChIInChI=1S/C57H31F2N5O2/c58-36-18-24-53-45(30-36)43-28-34(16-22-51(43)65-53)55-60-56(35-17-23-52-44(29-35)46-31-37(59)19-25-54(46)66-52)62-57(61-55)64-48-13-7-5-11-40(48)42-27-33(15-21-50(42)64)32-14-20-49-41(26-32)39-10-4-6-12-47(39)63(49)38-8-2-1-3-9-38/h1-31H
InChIKeyVHRYHEKZQQGSLA-UHFFFAOYSA-N
XLogP15.14
TPSA74.81 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms66
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500855.90
LogP ≤ 515.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-[9-[4,6-bis(8-fluorodibenzofuran-2-yl)-1,3,5-triazin-2-yl]carbazol-3-yl]-9-phenylcarbazole?
The IUPAC name of 3-[9-[4,6-bis(8-fluorodibenzofuran-2-yl)-1,3,5-triazin-2-yl]carbazol-3-yl]-9-phenylcarbazole (CID 121276731) is 3-[9-[4,6-bis(8-fluorodibenzofuran-2-yl)-1,3,5-triazin-2-yl]carbazol-3-yl]-9-phenylcarbazole.
What is the SMILES notation for 3-[9-[4,6-bis(8-fluorodibenzofuran-2-yl)-1,3,5-triazin-2-yl]carbazol-3-yl]-9-phenylcarbazole?
The canonical SMILES for 3-[9-[4,6-bis(8-fluorodibenzofuran-2-yl)-1,3,5-triazin-2-yl]carbazol-3-yl]-9-phenylcarbazole is Fc1ccc2oc3ccc(-c4nc(-c5ccc6oc7ccc(F)cc7c6c5)nc(-n5c6ccccc6c6cc(-c7ccc8c(c7)c7ccccc7n8-c7ccccc7)ccc65)n4)cc3c2c1.
What is the InChIKey of 3-[9-[4,6-bis(8-fluorodibenzofuran-2-yl)-1,3,5-triazin-2-yl]carbazol-3-yl]-9-phenylcarbazole?
The InChIKey is VHRYHEKZQQGSLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H31F2N5O2/c58-36-18-24-53-45(30-36)43-28-34(16-22-51(43)65-53)55-60-56(35-17-23-52-44(29-35)46-31-37(59)19-25-54(46)66-52)62-57(61-55)64-48-13-7-5-11-40(48)42-27-33(15-21-50(42)64)32-14-20-49-41(26-32)39-10-4-6-12-47(39)63(49)38-8-2-1-3-9-38/h1-31H.
What are the key properties of 3-[9-[4,6-bis(8-fluorodibenzofuran-2-yl)-1,3,5-triazin-2-yl]carbazol-3-yl]-9-phenylcarbazole?
3-[9-[4,6-bis(8-fluorodibenzofuran-2-yl)-1,3,5-triazin-2-yl]carbazol-3-yl]-9-phenylcarbazole has a molecular weight of 855.90 g/mol, XLogP of 15.14, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[9-[4,6-bis(8-fluorodibenzofuran-2-yl)-1,3,5-triazin-2-yl]carbazol-3-yl]-9-phenylcarbazole is sourced from PubChem (CID 121276731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).