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

C45H26FN5O — CID 163510732

IUPAC12-[4-(6-fluorodibenzofuran-4-yl)-6-phenyl-1,3,5-triazin-2-yl]-11-phenylindolo[2,3-a]carbazole
SMILESFc1cccc2c1oc1c(-c3nc(-c4ccccc4)nc(-n4c5ccccc5c5ccc6c7ccccc7n(-c7ccccc7)c6c54)n3)cccc12
InChIInChI=1S/C45H26FN5O/c46-36-22-12-20-34-33-19-11-21-35(41(33)52-42(34)36)44-47-43(27-13-3-1-4-14-27)48-45(49-44)51-38-24-10-8-18-30(38)32-26-25-31-29-17-7-9-23-37(29)50(39(31)40(32)51)28-15-5-2-6-16-28/h1-26H
InChIKeyDCMBMMKDPPEGKK-UHFFFAOYSA-N
MW671.74 g/mol
LogP11.44
Rot. Bonds4

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

12-[4-(6-fluorodibenzofuran-4-yl)-6-phenyl-1,3,5-triazin-2-yl]-11-phenylindolo[2,3-a]carbazole (PubChem CID 163510732) has the molecular formula C45H26FN5O and a molecular weight of 671.74 g/mol. Its IUPAC name is 12-[4-(6-fluorodibenzofuran-4-yl)-6-phenyl-1,3,5-triazin-2-yl]-11-phenylindolo[2,3-a]carbazole.

Molecular Properties

Compound Name12-[4-(6-fluorodibenzofuran-4-yl)-6-phenyl-1,3,5-triazin-2-yl]-11-phenylindolo[2,3-a]carbazole
PubChem CID163510732
Molecular FormulaC45H26FN5O
Molecular Weight671.74 g/mol
Exact Mass671.21
IUPAC Name12-[4-(6-fluorodibenzofuran-4-yl)-6-phenyl-1,3,5-triazin-2-yl]-11-phenylindolo[2,3-a]carbazole
SMILESFc1cccc2c1oc1c(-c3nc(-c4ccccc4)nc(-n4c5ccccc5c5ccc6c7ccccc7n(-c7ccccc7)c6c54)n3)cccc12
InChIInChI=1S/C45H26FN5O/c46-36-22-12-20-34-33-19-11-21-35(41(33)52-42(34)36)44-47-43(27-13-3-1-4-14-27)48-45(49-44)51-38-24-10-8-18-30(38)32-26-25-31-29-17-7-9-23-37(29)50(39(31)40(32)51)28-15-5-2-6-16-28/h1-26H
InChIKeyDCMBMMKDPPEGKK-UHFFFAOYSA-N
XLogP11.44
TPSA61.67 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500671.74
LogP ≤ 511.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 12-[4-(6-fluorodibenzofuran-4-yl)-6-phenyl-1,3,5-triazin-2-yl]-11-phenylindolo[2,3-a]carbazole?
The IUPAC name of 12-[4-(6-fluorodibenzofuran-4-yl)-6-phenyl-1,3,5-triazin-2-yl]-11-phenylindolo[2,3-a]carbazole (CID 163510732) is 12-[4-(6-fluorodibenzofuran-4-yl)-6-phenyl-1,3,5-triazin-2-yl]-11-phenylindolo[2,3-a]carbazole.
What is the SMILES notation for 12-[4-(6-fluorodibenzofuran-4-yl)-6-phenyl-1,3,5-triazin-2-yl]-11-phenylindolo[2,3-a]carbazole?
The canonical SMILES for 12-[4-(6-fluorodibenzofuran-4-yl)-6-phenyl-1,3,5-triazin-2-yl]-11-phenylindolo[2,3-a]carbazole is Fc1cccc2c1oc1c(-c3nc(-c4ccccc4)nc(-n4c5ccccc5c5ccc6c7ccccc7n(-c7ccccc7)c6c54)n3)cccc12.
What is the InChIKey of 12-[4-(6-fluorodibenzofuran-4-yl)-6-phenyl-1,3,5-triazin-2-yl]-11-phenylindolo[2,3-a]carbazole?
The InChIKey is DCMBMMKDPPEGKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H26FN5O/c46-36-22-12-20-34-33-19-11-21-35(41(33)52-42(34)36)44-47-43(27-13-3-1-4-14-27)48-45(49-44)51-38-24-10-8-18-30(38)32-26-25-31-29-17-7-9-23-37(29)50(39(31)40(32)51)28-15-5-2-6-16-28/h1-26H.
What are the key properties of 12-[4-(6-fluorodibenzofuran-4-yl)-6-phenyl-1,3,5-triazin-2-yl]-11-phenylindolo[2,3-a]carbazole?
12-[4-(6-fluorodibenzofuran-4-yl)-6-phenyl-1,3,5-triazin-2-yl]-11-phenylindolo[2,3-a]carbazole has a molecular weight of 671.74 g/mol, XLogP of 11.44, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 12-[4-(6-fluorodibenzofuran-4-yl)-6-phenyl-1,3,5-triazin-2-yl]-11-phenylindolo[2,3-a]carbazole is sourced from PubChem (CID 163510732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).