12-[4,6-bis(6-fluorodibenzofuran-4-yl)-1,3,5-triazin-2-yl]-11-phenylindolo[2,3-a]carbazole

C51H27F2N5O2 — CID 163659390

IUPAC12-[4,6-bis(6-fluorodibenzofuran-4-yl)-1,3,5-triazin-2-yl]-11-phenylindolo[2,3-a]carbazole
SMILESFc1cccc2c1oc1c(-c3nc(-c4cccc5c4oc4c(F)cccc45)nc(-n4c5ccccc5c5ccc6c7ccccc7n(-c7ccccc7)c6c54)n3)cccc12
InChIInChI=1S/C51H27F2N5O2/c52-39-22-10-18-35-33-16-8-20-37(45(33)59-47(35)39)49-54-50(38-21-9-17-34-36-19-11-23-40(53)48(36)60-46(34)38)56-51(55-49)58-42-25-7-5-15-30(42)32-27-26-31-29-14-4-6-24-41(29)57(43(31)44(32)58)28-12-2-1-3-13-28/h1-27H
InChIKeyITBSNBBDSYUSIW-UHFFFAOYSA-N
MW779.81 g/mol
LogP13.48
Rot. Bonds4

About 12-[4,6-bis(6-fluorodibenzofuran-4-yl)-1,3,5-triazin-2-yl]-11-phenylindolo[2,3-a]carbazole

12-[4,6-bis(6-fluorodibenzofuran-4-yl)-1,3,5-triazin-2-yl]-11-phenylindolo[2,3-a]carbazole (PubChem CID 163659390) has the molecular formula C51H27F2N5O2 and a molecular weight of 779.81 g/mol. Its IUPAC name is 12-[4,6-bis(6-fluorodibenzofuran-4-yl)-1,3,5-triazin-2-yl]-11-phenylindolo[2,3-a]carbazole.

Molecular Properties

Compound Name12-[4,6-bis(6-fluorodibenzofuran-4-yl)-1,3,5-triazin-2-yl]-11-phenylindolo[2,3-a]carbazole
PubChem CID163659390
Molecular FormulaC51H27F2N5O2
Molecular Weight779.81 g/mol
Exact Mass779.21
IUPAC Name12-[4,6-bis(6-fluorodibenzofuran-4-yl)-1,3,5-triazin-2-yl]-11-phenylindolo[2,3-a]carbazole
SMILESFc1cccc2c1oc1c(-c3nc(-c4cccc5c4oc4c(F)cccc45)nc(-n4c5ccccc5c5ccc6c7ccccc7n(-c7ccccc7)c6c54)n3)cccc12
InChIInChI=1S/C51H27F2N5O2/c52-39-22-10-18-35-33-16-8-20-37(45(33)59-47(35)39)49-54-50(38-21-9-17-34-36-19-11-23-40(53)48(36)60-46(34)38)56-51(55-49)58-42-25-7-5-15-30(42)32-27-26-31-29-14-4-6-24-41(29)57(43(31)44(32)58)28-12-2-1-3-13-28/h1-27H
InChIKeyITBSNBBDSYUSIW-UHFFFAOYSA-N
XLogP13.48
TPSA74.81 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500779.81
LogP ≤ 513.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 12-[4,6-bis(6-fluorodibenzofuran-4-yl)-1,3,5-triazin-2-yl]-11-phenylindolo[2,3-a]carbazole?
The IUPAC name of 12-[4,6-bis(6-fluorodibenzofuran-4-yl)-1,3,5-triazin-2-yl]-11-phenylindolo[2,3-a]carbazole (CID 163659390) is 12-[4,6-bis(6-fluorodibenzofuran-4-yl)-1,3,5-triazin-2-yl]-11-phenylindolo[2,3-a]carbazole.
What is the SMILES notation for 12-[4,6-bis(6-fluorodibenzofuran-4-yl)-1,3,5-triazin-2-yl]-11-phenylindolo[2,3-a]carbazole?
The canonical SMILES for 12-[4,6-bis(6-fluorodibenzofuran-4-yl)-1,3,5-triazin-2-yl]-11-phenylindolo[2,3-a]carbazole is Fc1cccc2c1oc1c(-c3nc(-c4cccc5c4oc4c(F)cccc45)nc(-n4c5ccccc5c5ccc6c7ccccc7n(-c7ccccc7)c6c54)n3)cccc12.
What is the InChIKey of 12-[4,6-bis(6-fluorodibenzofuran-4-yl)-1,3,5-triazin-2-yl]-11-phenylindolo[2,3-a]carbazole?
The InChIKey is ITBSNBBDSYUSIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H27F2N5O2/c52-39-22-10-18-35-33-16-8-20-37(45(33)59-47(35)39)49-54-50(38-21-9-17-34-36-19-11-23-40(53)48(36)60-46(34)38)56-51(55-49)58-42-25-7-5-15-30(42)32-27-26-31-29-14-4-6-24-41(29)57(43(31)44(32)58)28-12-2-1-3-13-28/h1-27H.
What are the key properties of 12-[4,6-bis(6-fluorodibenzofuran-4-yl)-1,3,5-triazin-2-yl]-11-phenylindolo[2,3-a]carbazole?
12-[4,6-bis(6-fluorodibenzofuran-4-yl)-1,3,5-triazin-2-yl]-11-phenylindolo[2,3-a]carbazole has a molecular weight of 779.81 g/mol, XLogP of 13.48, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 12-[4,6-bis(6-fluorodibenzofuran-4-yl)-1,3,5-triazin-2-yl]-11-phenylindolo[2,3-a]carbazole is sourced from PubChem (CID 163659390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).