2-[4-[9,9-difluoro-6-[4-(1-methyl-4,6-diphenyl-2H-pyridin-2-yl)phenyl]fluoren-3-yl]phenyl]-4,6-diphenyl-1,4-dihydro-1,3,5-triazine

C58H42F2N4 — CID 135247184

IUPAC2-[4-[9,9-difluoro-6-[4-(1-methyl-4,6-diphenyl-2H-pyridin-2-yl)phenyl]fluoren-3-yl]phenyl]-4,6-diphenyl-1,4-dihydro-1,3,5-triazine
SMILESCN1C(c2ccccc2)=CC(c2ccccc2)=CC1c1ccc(-c2ccc3c(c2)-c2cc(-c4ccc(C5=NC(c6ccccc6)N=C(c6ccccc6)N5)cc4)ccc2C3(F)F)cc1
InChIInChI=1S/C58H42F2N4/c1-64-53(41-16-8-3-9-17-41)36-48(38-14-6-2-7-15-38)37-54(64)42-26-22-39(23-27-42)46-30-32-51-49(34-46)50-35-47(31-33-52(50)58(51,59)60)40-24-28-45(29-25-40)57-62-55(43-18-10-4-11-19-43)61-56(63-57)44-20-12-5-13-21-44/h2-37,54-55H,1H3,(H,61,62,63)
InChIKeyXPHWPSNZXLZQTL-UHFFFAOYSA-N
MW833.00 g/mol
LogP13.75
Rot. Bonds8

About 2-[4-[9,9-difluoro-6-[4-(1-methyl-4,6-diphenyl-2H-pyridin-2-yl)phenyl]fluoren-3-yl]phenyl]-4,6-diphenyl-1,4-dihydro-1,3,5-triazine

2-[4-[9,9-difluoro-6-[4-(1-methyl-4,6-diphenyl-2H-pyridin-2-yl)phenyl]fluoren-3-yl]phenyl]-4,6-diphenyl-1,4-dihydro-1,3,5-triazine (PubChem CID 135247184) has the molecular formula C58H42F2N4 and a molecular weight of 833.00 g/mol. Its IUPAC name is 2-[4-[9,9-difluoro-6-[4-(1-methyl-4,6-diphenyl-2H-pyridin-2-yl)phenyl]fluoren-3-yl]phenyl]-4,6-diphenyl-1,4-dihydro-1,3,5-triazine.

Molecular Properties

Compound Name2-[4-[9,9-difluoro-6-[4-(1-methyl-4,6-diphenyl-2H-pyridin-2-yl)phenyl]fluoren-3-yl]phenyl]-4,6-diphenyl-1,4-dihydro-1,3,5-triazine
PubChem CID135247184
Molecular FormulaC58H42F2N4
Molecular Weight833.00 g/mol
Exact Mass832.34
IUPAC Name2-[4-[9,9-difluoro-6-[4-(1-methyl-4,6-diphenyl-2H-pyridin-2-yl)phenyl]fluoren-3-yl]phenyl]-4,6-diphenyl-1,4-dihydro-1,3,5-triazine
SMILESCN1C(c2ccccc2)=CC(c2ccccc2)=CC1c1ccc(-c2ccc3c(c2)-c2cc(-c4ccc(C5=NC(c6ccccc6)N=C(c6ccccc6)N5)cc4)ccc2C3(F)F)cc1
InChIInChI=1S/C58H42F2N4/c1-64-53(41-16-8-3-9-17-41)36-48(38-14-6-2-7-15-38)37-54(64)42-26-22-39(23-27-42)46-30-32-51-49(34-46)50-35-47(31-33-52(50)58(51,59)60)40-24-28-45(29-25-40)57-62-55(43-18-10-4-11-19-43)61-56(63-57)44-20-12-5-13-21-44/h2-37,54-55H,1H3,(H,61,62,63)
InChIKeyXPHWPSNZXLZQTL-UHFFFAOYSA-N
XLogP13.75
TPSA39.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500833.00
LogP ≤ 513.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[4-[9,9-difluoro-6-[4-(1-methyl-4,6-diphenyl-2H-pyridin-2-yl)phenyl]fluoren-3-yl]phenyl]-4,6-diphenyl-1,4-dihydro-1,3,5-triazine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[9,9-difluoro-6-[4-(1-methyl-4,6-diphenyl-2H-pyridin-2-yl)phenyl]fluoren-3-yl]phenyl]-4,6-diphenyl-1,4-dihydro-1,3,5-triazine?
The IUPAC name of 2-[4-[9,9-difluoro-6-[4-(1-methyl-4,6-diphenyl-2H-pyridin-2-yl)phenyl]fluoren-3-yl]phenyl]-4,6-diphenyl-1,4-dihydro-1,3,5-triazine (CID 135247184) is 2-[4-[9,9-difluoro-6-[4-(1-methyl-4,6-diphenyl-2H-pyridin-2-yl)phenyl]fluoren-3-yl]phenyl]-4,6-diphenyl-1,4-dihydro-1,3,5-triazine.
What is the SMILES notation for 2-[4-[9,9-difluoro-6-[4-(1-methyl-4,6-diphenyl-2H-pyridin-2-yl)phenyl]fluoren-3-yl]phenyl]-4,6-diphenyl-1,4-dihydro-1,3,5-triazine?
The canonical SMILES for 2-[4-[9,9-difluoro-6-[4-(1-methyl-4,6-diphenyl-2H-pyridin-2-yl)phenyl]fluoren-3-yl]phenyl]-4,6-diphenyl-1,4-dihydro-1,3,5-triazine is CN1C(c2ccccc2)=CC(c2ccccc2)=CC1c1ccc(-c2ccc3c(c2)-c2cc(-c4ccc(C5=NC(c6ccccc6)N=C(c6ccccc6)N5)cc4)ccc2C3(F)F)cc1.
What is the InChIKey of 2-[4-[9,9-difluoro-6-[4-(1-methyl-4,6-diphenyl-2H-pyridin-2-yl)phenyl]fluoren-3-yl]phenyl]-4,6-diphenyl-1,4-dihydro-1,3,5-triazine?
The InChIKey is XPHWPSNZXLZQTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H42F2N4/c1-64-53(41-16-8-3-9-17-41)36-48(38-14-6-2-7-15-38)37-54(64)42-26-22-39(23-27-42)46-30-32-51-49(34-46)50-35-47(31-33-52(50)58(51,59)60)40-24-28-45(29-25-40)57-62-55(43-18-10-4-11-19-43)61-56(63-57)44-20-12-5-13-21-44/h2-37,54-55H,1H3,(H,61,62,63).
What are the key properties of 2-[4-[9,9-difluoro-6-[4-(1-methyl-4,6-diphenyl-2H-pyridin-2-yl)phenyl]fluoren-3-yl]phenyl]-4,6-diphenyl-1,4-dihydro-1,3,5-triazine?
2-[4-[9,9-difluoro-6-[4-(1-methyl-4,6-diphenyl-2H-pyridin-2-yl)phenyl]fluoren-3-yl]phenyl]-4,6-diphenyl-1,4-dihydro-1,3,5-triazine has a molecular weight of 833.00 g/mol, XLogP of 13.75, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[9,9-difluoro-6-[4-(1-methyl-4,6-diphenyl-2H-pyridin-2-yl)phenyl]fluoren-3-yl]phenyl]-4,6-diphenyl-1,4-dihydro-1,3,5-triazine is sourced from PubChem (CID 135247184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).