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

C57H31F2N5O2 — CID 121276741

IUPAC3-[9-[4,6-bis(6-fluorodibenzofuran-4-yl)-1,3,5-triazin-2-yl]carbazol-2-yl]-9-phenylcarbazole
SMILESFc1cccc2c1oc1c(-c3nc(-c4cccc5c4oc4c(F)cccc45)nc(-n4c5ccccc5c5ccc(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)cc54)n3)cccc12
InChIInChI=1S/C57H31F2N5O2/c58-45-22-10-18-40-38-16-8-20-42(51(38)65-53(40)45)55-60-56(43-21-9-17-39-41-19-11-23-46(59)54(41)66-52(39)43)62-57(61-55)64-48-25-7-4-14-35(48)37-28-26-33(31-50(37)64)32-27-29-49-44(30-32)36-15-5-6-24-47(36)63(49)34-12-2-1-3-13-34/h1-31H
InChIKeyURSDSVHMZPMYCS-UHFFFAOYSA-N
MW855.90 g/mol
LogP15.14
Rot. Bonds5

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

3-[9-[4,6-bis(6-fluorodibenzofuran-4-yl)-1,3,5-triazin-2-yl]carbazol-2-yl]-9-phenylcarbazole (PubChem CID 121276741) has the molecular formula C57H31F2N5O2 and a molecular weight of 855.90 g/mol. Its IUPAC name is 3-[9-[4,6-bis(6-fluorodibenzofuran-4-yl)-1,3,5-triazin-2-yl]carbazol-2-yl]-9-phenylcarbazole.

Molecular Properties

Compound Name3-[9-[4,6-bis(6-fluorodibenzofuran-4-yl)-1,3,5-triazin-2-yl]carbazol-2-yl]-9-phenylcarbazole
PubChem CID121276741
Molecular FormulaC57H31F2N5O2
Molecular Weight855.90 g/mol
Exact Mass855.24
IUPAC Name3-[9-[4,6-bis(6-fluorodibenzofuran-4-yl)-1,3,5-triazin-2-yl]carbazol-2-yl]-9-phenylcarbazole
SMILESFc1cccc2c1oc1c(-c3nc(-c4cccc5c4oc4c(F)cccc45)nc(-n4c5ccccc5c5ccc(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)cc54)n3)cccc12
InChIInChI=1S/C57H31F2N5O2/c58-45-22-10-18-40-38-16-8-20-42(51(38)65-53(40)45)55-60-56(43-21-9-17-39-41-19-11-23-46(59)54(41)66-52(39)43)62-57(61-55)64-48-25-7-4-14-35(48)37-28-26-33(31-50(37)64)32-27-29-49-44(30-32)36-15-5-6-24-47(36)63(49)34-12-2-1-3-13-34/h1-31H
InChIKeyURSDSVHMZPMYCS-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(6-fluorodibenzofuran-4-yl)-1,3,5-triazin-2-yl]carbazol-2-yl]-9-phenylcarbazole?
The IUPAC name of 3-[9-[4,6-bis(6-fluorodibenzofuran-4-yl)-1,3,5-triazin-2-yl]carbazol-2-yl]-9-phenylcarbazole (CID 121276741) is 3-[9-[4,6-bis(6-fluorodibenzofuran-4-yl)-1,3,5-triazin-2-yl]carbazol-2-yl]-9-phenylcarbazole.
What is the SMILES notation for 3-[9-[4,6-bis(6-fluorodibenzofuran-4-yl)-1,3,5-triazin-2-yl]carbazol-2-yl]-9-phenylcarbazole?
The canonical SMILES for 3-[9-[4,6-bis(6-fluorodibenzofuran-4-yl)-1,3,5-triazin-2-yl]carbazol-2-yl]-9-phenylcarbazole is Fc1cccc2c1oc1c(-c3nc(-c4cccc5c4oc4c(F)cccc45)nc(-n4c5ccccc5c5ccc(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)cc54)n3)cccc12.
What is the InChIKey of 3-[9-[4,6-bis(6-fluorodibenzofuran-4-yl)-1,3,5-triazin-2-yl]carbazol-2-yl]-9-phenylcarbazole?
The InChIKey is URSDSVHMZPMYCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H31F2N5O2/c58-45-22-10-18-40-38-16-8-20-42(51(38)65-53(40)45)55-60-56(43-21-9-17-39-41-19-11-23-46(59)54(41)66-52(39)43)62-57(61-55)64-48-25-7-4-14-35(48)37-28-26-33(31-50(37)64)32-27-29-49-44(30-32)36-15-5-6-24-47(36)63(49)34-12-2-1-3-13-34/h1-31H.
What are the key properties of 3-[9-[4,6-bis(6-fluorodibenzofuran-4-yl)-1,3,5-triazin-2-yl]carbazol-2-yl]-9-phenylcarbazole?
3-[9-[4,6-bis(6-fluorodibenzofuran-4-yl)-1,3,5-triazin-2-yl]carbazol-2-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(6-fluorodibenzofuran-4-yl)-1,3,5-triazin-2-yl]carbazol-2-yl]-9-phenylcarbazole is sourced from PubChem (CID 121276741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).