2-(9,9-diphenylfluoren-2-yl)-4,6-bis(2-fluorophenyl)-1,3,5-triazine

C40H25F2N3 — CID 58273811

IUPAC2-(9,9-diphenylfluoren-2-yl)-4,6-bis(2-fluorophenyl)-1,3,5-triazine
SMILESFc1ccccc1-c1nc(-c2ccc3c(c2)C(c2ccccc2)(c2ccccc2)c2ccccc2-3)nc(-c2ccccc2F)n1
InChIInChI=1S/C40H25F2N3/c41-35-21-11-8-18-31(35)38-43-37(44-39(45-38)32-19-9-12-22-36(32)42)26-23-24-30-29-17-7-10-20-33(29)40(34(30)25-26,27-13-3-1-4-14-27)28-15-5-2-6-16-28/h1-25H
InChIKeyLADDENGONUZMCM-UHFFFAOYSA-N
MW585.66 g/mol
LogP9.51
Rot. Bonds5

About 2-(9,9-diphenylfluoren-2-yl)-4,6-bis(2-fluorophenyl)-1,3,5-triazine

2-(9,9-diphenylfluoren-2-yl)-4,6-bis(2-fluorophenyl)-1,3,5-triazine (PubChem CID 58273811) has the molecular formula C40H25F2N3 and a molecular weight of 585.66 g/mol. Its IUPAC name is 2-(9,9-diphenylfluoren-2-yl)-4,6-bis(2-fluorophenyl)-1,3,5-triazine.

Molecular Properties

Compound Name2-(9,9-diphenylfluoren-2-yl)-4,6-bis(2-fluorophenyl)-1,3,5-triazine
PubChem CID58273811
Molecular FormulaC40H25F2N3
Molecular Weight585.66 g/mol
Exact Mass585.20
IUPAC Name2-(9,9-diphenylfluoren-2-yl)-4,6-bis(2-fluorophenyl)-1,3,5-triazine
SMILESFc1ccccc1-c1nc(-c2ccc3c(c2)C(c2ccccc2)(c2ccccc2)c2ccccc2-3)nc(-c2ccccc2F)n1
InChIInChI=1S/C40H25F2N3/c41-35-21-11-8-18-31(35)38-43-37(44-39(45-38)32-19-9-12-22-36(32)42)26-23-24-30-29-17-7-10-20-33(29)40(34(30)25-26,27-13-3-1-4-14-27)28-15-5-2-6-16-28/h1-25H
InChIKeyLADDENGONUZMCM-UHFFFAOYSA-N
XLogP9.51
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500585.66
LogP ≤ 59.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(9,9-diphenylfluoren-2-yl)-4,6-bis(2-fluorophenyl)-1,3,5-triazine?
The IUPAC name of 2-(9,9-diphenylfluoren-2-yl)-4,6-bis(2-fluorophenyl)-1,3,5-triazine (CID 58273811) is 2-(9,9-diphenylfluoren-2-yl)-4,6-bis(2-fluorophenyl)-1,3,5-triazine.
What is the SMILES notation for 2-(9,9-diphenylfluoren-2-yl)-4,6-bis(2-fluorophenyl)-1,3,5-triazine?
The canonical SMILES for 2-(9,9-diphenylfluoren-2-yl)-4,6-bis(2-fluorophenyl)-1,3,5-triazine is Fc1ccccc1-c1nc(-c2ccc3c(c2)C(c2ccccc2)(c2ccccc2)c2ccccc2-3)nc(-c2ccccc2F)n1.
What is the InChIKey of 2-(9,9-diphenylfluoren-2-yl)-4,6-bis(2-fluorophenyl)-1,3,5-triazine?
The InChIKey is LADDENGONUZMCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H25F2N3/c41-35-21-11-8-18-31(35)38-43-37(44-39(45-38)32-19-9-12-22-36(32)42)26-23-24-30-29-17-7-10-20-33(29)40(34(30)25-26,27-13-3-1-4-14-27)28-15-5-2-6-16-28/h1-25H.
What are the key properties of 2-(9,9-diphenylfluoren-2-yl)-4,6-bis(2-fluorophenyl)-1,3,5-triazine?
2-(9,9-diphenylfluoren-2-yl)-4,6-bis(2-fluorophenyl)-1,3,5-triazine has a molecular weight of 585.66 g/mol, XLogP of 9.51, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(9,9-diphenylfluoren-2-yl)-4,6-bis(2-fluorophenyl)-1,3,5-triazine is sourced from PubChem (CID 58273811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).