6-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9-difluorofluoren-3-yl]phenanthridine

C41H24F2N4 — CID 134271795

IUPAC6-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9-difluorofluoren-3-yl]phenanthridine
SMILESFC1(F)c2ccc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)cc2-c2cc(-c3nc4ccccc4c4ccccc34)ccc21
InChIInChI=1S/C41H24F2N4/c42-41(43)34-21-19-27(37-31-17-8-7-15-29(31)30-16-9-10-18-36(30)44-37)23-32(34)33-24-28(20-22-35(33)41)40-46-38(25-11-3-1-4-12-25)45-39(47-40)26-13-5-2-6-14-26/h1-24H
InChIKeySLRPYDMIZFSCKT-UHFFFAOYSA-N
MW610.67 g/mol
LogP10.36
Rot. Bonds4

About 6-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9-difluorofluoren-3-yl]phenanthridine

6-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9-difluorofluoren-3-yl]phenanthridine (PubChem CID 134271795) has the molecular formula C41H24F2N4 and a molecular weight of 610.67 g/mol. Its IUPAC name is 6-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9-difluorofluoren-3-yl]phenanthridine.

Molecular Properties

Compound Name6-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9-difluorofluoren-3-yl]phenanthridine
PubChem CID134271795
Molecular FormulaC41H24F2N4
Molecular Weight610.67 g/mol
Exact Mass610.20
IUPAC Name6-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9-difluorofluoren-3-yl]phenanthridine
SMILESFC1(F)c2ccc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)cc2-c2cc(-c3nc4ccccc4c4ccccc34)ccc21
InChIInChI=1S/C41H24F2N4/c42-41(43)34-21-19-27(37-31-17-8-7-15-29(31)30-16-9-10-18-36(30)44-37)23-32(34)33-24-28(20-22-35(33)41)40-46-38(25-11-3-1-4-12-25)45-39(47-40)26-13-5-2-6-14-26/h1-24H
InChIKeySLRPYDMIZFSCKT-UHFFFAOYSA-N
XLogP10.36
TPSA51.56 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500610.67
LogP ≤ 510.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9-difluorofluoren-3-yl]phenanthridine?
The IUPAC name of 6-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9-difluorofluoren-3-yl]phenanthridine (CID 134271795) is 6-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9-difluorofluoren-3-yl]phenanthridine.
What is the SMILES notation for 6-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9-difluorofluoren-3-yl]phenanthridine?
The canonical SMILES for 6-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9-difluorofluoren-3-yl]phenanthridine is FC1(F)c2ccc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)cc2-c2cc(-c3nc4ccccc4c4ccccc34)ccc21.
What is the InChIKey of 6-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9-difluorofluoren-3-yl]phenanthridine?
The InChIKey is SLRPYDMIZFSCKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H24F2N4/c42-41(43)34-21-19-27(37-31-17-8-7-15-29(31)30-16-9-10-18-36(30)44-37)23-32(34)33-24-28(20-22-35(33)41)40-46-38(25-11-3-1-4-12-25)45-39(47-40)26-13-5-2-6-14-26/h1-24H.
What are the key properties of 6-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9-difluorofluoren-3-yl]phenanthridine?
6-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9-difluorofluoren-3-yl]phenanthridine has a molecular weight of 610.67 g/mol, XLogP of 10.36, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9-difluorofluoren-3-yl]phenanthridine is sourced from PubChem (CID 134271795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).