2-[6-[3,5-bis(4-pyridin-2-ylphenyl)phenyl]-9,9-difluorofluoren-3-yl]-4,6-diphenyl-1,3,5-triazine

C56H35F2N5 — CID 134271782

IUPAC2-[6-[3,5-bis(4-pyridin-2-ylphenyl)phenyl]-9,9-difluorofluoren-3-yl]-4,6-diphenyl-1,3,5-triazine
SMILESFC1(F)c2ccc(-c3cc(-c4ccc(-c5ccccn5)cc4)cc(-c4ccc(-c5ccccn5)cc4)c3)cc2-c2cc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)ccc21
InChIInChI=1S/C56H35F2N5/c57-56(58)49-27-25-42(34-47(49)48-35-43(26-28-50(48)56)55-62-53(40-11-3-1-4-12-40)61-54(63-55)41-13-5-2-6-14-41)46-32-44(36-17-21-38(22-18-36)51-15-7-9-29-59-51)31-45(33-46)37-19-23-39(24-20-37)52-16-8-10-30-60-52/h1-35H
InChIKeyUEPDEZUAVFKNMQ-UHFFFAOYSA-N
MW815.93 g/mol
LogP14.12
Rot. Bonds8

About 2-[6-[3,5-bis(4-pyridin-2-ylphenyl)phenyl]-9,9-difluorofluoren-3-yl]-4,6-diphenyl-1,3,5-triazine

2-[6-[3,5-bis(4-pyridin-2-ylphenyl)phenyl]-9,9-difluorofluoren-3-yl]-4,6-diphenyl-1,3,5-triazine (PubChem CID 134271782) has the molecular formula C56H35F2N5 and a molecular weight of 815.93 g/mol. Its IUPAC name is 2-[6-[3,5-bis(4-pyridin-2-ylphenyl)phenyl]-9,9-difluorofluoren-3-yl]-4,6-diphenyl-1,3,5-triazine.

Molecular Properties

Compound Name2-[6-[3,5-bis(4-pyridin-2-ylphenyl)phenyl]-9,9-difluorofluoren-3-yl]-4,6-diphenyl-1,3,5-triazine
PubChem CID134271782
Molecular FormulaC56H35F2N5
Molecular Weight815.93 g/mol
Exact Mass815.29
IUPAC Name2-[6-[3,5-bis(4-pyridin-2-ylphenyl)phenyl]-9,9-difluorofluoren-3-yl]-4,6-diphenyl-1,3,5-triazine
SMILESFC1(F)c2ccc(-c3cc(-c4ccc(-c5ccccn5)cc4)cc(-c4ccc(-c5ccccn5)cc4)c3)cc2-c2cc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)ccc21
InChIInChI=1S/C56H35F2N5/c57-56(58)49-27-25-42(34-47(49)48-35-43(26-28-50(48)56)55-62-53(40-11-3-1-4-12-40)61-54(63-55)41-13-5-2-6-14-41)46-32-44(36-17-21-38(22-18-36)51-15-7-9-29-59-51)31-45(33-46)37-19-23-39(24-20-37)52-16-8-10-30-60-52/h1-35H
InChIKeyUEPDEZUAVFKNMQ-UHFFFAOYSA-N
XLogP14.12
TPSA64.45 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms63
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500815.93
LogP ≤ 514.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[6-[3,5-bis(4-pyridin-2-ylphenyl)phenyl]-9,9-difluorofluoren-3-yl]-4,6-diphenyl-1,3,5-triazine?
The IUPAC name of 2-[6-[3,5-bis(4-pyridin-2-ylphenyl)phenyl]-9,9-difluorofluoren-3-yl]-4,6-diphenyl-1,3,5-triazine (CID 134271782) is 2-[6-[3,5-bis(4-pyridin-2-ylphenyl)phenyl]-9,9-difluorofluoren-3-yl]-4,6-diphenyl-1,3,5-triazine.
What is the SMILES notation for 2-[6-[3,5-bis(4-pyridin-2-ylphenyl)phenyl]-9,9-difluorofluoren-3-yl]-4,6-diphenyl-1,3,5-triazine?
The canonical SMILES for 2-[6-[3,5-bis(4-pyridin-2-ylphenyl)phenyl]-9,9-difluorofluoren-3-yl]-4,6-diphenyl-1,3,5-triazine is FC1(F)c2ccc(-c3cc(-c4ccc(-c5ccccn5)cc4)cc(-c4ccc(-c5ccccn5)cc4)c3)cc2-c2cc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)ccc21.
What is the InChIKey of 2-[6-[3,5-bis(4-pyridin-2-ylphenyl)phenyl]-9,9-difluorofluoren-3-yl]-4,6-diphenyl-1,3,5-triazine?
The InChIKey is UEPDEZUAVFKNMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H35F2N5/c57-56(58)49-27-25-42(34-47(49)48-35-43(26-28-50(48)56)55-62-53(40-11-3-1-4-12-40)61-54(63-55)41-13-5-2-6-14-41)46-32-44(36-17-21-38(22-18-36)51-15-7-9-29-59-51)31-45(33-46)37-19-23-39(24-20-37)52-16-8-10-30-60-52/h1-35H.
What are the key properties of 2-[6-[3,5-bis(4-pyridin-2-ylphenyl)phenyl]-9,9-difluorofluoren-3-yl]-4,6-diphenyl-1,3,5-triazine?
2-[6-[3,5-bis(4-pyridin-2-ylphenyl)phenyl]-9,9-difluorofluoren-3-yl]-4,6-diphenyl-1,3,5-triazine has a molecular weight of 815.93 g/mol, XLogP of 14.12, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-[3,5-bis(4-pyridin-2-ylphenyl)phenyl]-9,9-difluorofluoren-3-yl]-4,6-diphenyl-1,3,5-triazine is sourced from PubChem (CID 134271782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).