8-[4-[3-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9-difluorofluoren-3-yl]-5-(4-quinolin-8-ylphenyl)phenyl]phenyl]quinoline

C64H39F2N5 — CID 134271792

IUPAC8-[4-[3-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9-difluorofluoren-3-yl]-5-(4-quinolin-8-ylphenyl)phenyl]phenyl]quinoline
SMILESFC1(F)c2ccc(-c3cc(-c4ccc(-c5cccc6cccnc56)cc4)cc(-c4ccc(-c5cccc6cccnc56)cc4)c3)cc2-c2cc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)ccc21
InChIInChI=1S/C64H39F2N5/c65-64(66)57-31-29-48(38-55(57)56-39-49(30-32-58(56)64)63-70-61(46-11-3-1-4-12-46)69-62(71-63)47-13-5-2-6-14-47)52-36-50(40-21-25-42(26-22-40)53-19-7-15-44-17-9-33-67-59(44)53)35-51(37-52)41-23-27-43(28-24-41)54-20-8-16-45-18-10-34-68-60(45)54/h1-39H
InChIKeyBZOAJGCXCBIFCY-UHFFFAOYSA-N
MW916.05 g/mol
LogP16.42
Rot. Bonds8

About 8-[4-[3-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9-difluorofluoren-3-yl]-5-(4-quinolin-8-ylphenyl)phenyl]phenyl]quinoline

8-[4-[3-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9-difluorofluoren-3-yl]-5-(4-quinolin-8-ylphenyl)phenyl]phenyl]quinoline (PubChem CID 134271792) has the molecular formula C64H39F2N5 and a molecular weight of 916.05 g/mol. Its IUPAC name is 8-[4-[3-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9-difluorofluoren-3-yl]-5-(4-quinolin-8-ylphenyl)phenyl]phenyl]quinoline.

Molecular Properties

Compound Name8-[4-[3-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9-difluorofluoren-3-yl]-5-(4-quinolin-8-ylphenyl)phenyl]phenyl]quinoline
PubChem CID134271792
Molecular FormulaC64H39F2N5
Molecular Weight916.05 g/mol
Exact Mass915.32
IUPAC Name8-[4-[3-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9-difluorofluoren-3-yl]-5-(4-quinolin-8-ylphenyl)phenyl]phenyl]quinoline
SMILESFC1(F)c2ccc(-c3cc(-c4ccc(-c5cccc6cccnc56)cc4)cc(-c4ccc(-c5cccc6cccnc56)cc4)c3)cc2-c2cc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)ccc21
InChIInChI=1S/C64H39F2N5/c65-64(66)57-31-29-48(38-55(57)56-39-49(30-32-58(56)64)63-70-61(46-11-3-1-4-12-46)69-62(71-63)47-13-5-2-6-14-47)52-36-50(40-21-25-42(26-22-40)53-19-7-15-44-17-9-33-67-59(44)53)35-51(37-52)41-23-27-43(28-24-41)54-20-8-16-45-18-10-34-68-60(45)54/h1-39H
InChIKeyBZOAJGCXCBIFCY-UHFFFAOYSA-N
XLogP16.42
TPSA64.45 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms71
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500916.05
LogP ≤ 516.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 8-[4-[3-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9-difluorofluoren-3-yl]-5-(4-quinolin-8-ylphenyl)phenyl]phenyl]quinoline with MolForge

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Frequently Asked Questions

What is the IUPAC name of 8-[4-[3-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9-difluorofluoren-3-yl]-5-(4-quinolin-8-ylphenyl)phenyl]phenyl]quinoline?
The IUPAC name of 8-[4-[3-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9-difluorofluoren-3-yl]-5-(4-quinolin-8-ylphenyl)phenyl]phenyl]quinoline (CID 134271792) is 8-[4-[3-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9-difluorofluoren-3-yl]-5-(4-quinolin-8-ylphenyl)phenyl]phenyl]quinoline.
What is the SMILES notation for 8-[4-[3-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9-difluorofluoren-3-yl]-5-(4-quinolin-8-ylphenyl)phenyl]phenyl]quinoline?
The canonical SMILES for 8-[4-[3-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9-difluorofluoren-3-yl]-5-(4-quinolin-8-ylphenyl)phenyl]phenyl]quinoline is FC1(F)c2ccc(-c3cc(-c4ccc(-c5cccc6cccnc56)cc4)cc(-c4ccc(-c5cccc6cccnc56)cc4)c3)cc2-c2cc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)ccc21.
What is the InChIKey of 8-[4-[3-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9-difluorofluoren-3-yl]-5-(4-quinolin-8-ylphenyl)phenyl]phenyl]quinoline?
The InChIKey is BZOAJGCXCBIFCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H39F2N5/c65-64(66)57-31-29-48(38-55(57)56-39-49(30-32-58(56)64)63-70-61(46-11-3-1-4-12-46)69-62(71-63)47-13-5-2-6-14-47)52-36-50(40-21-25-42(26-22-40)53-19-7-15-44-17-9-33-67-59(44)53)35-51(37-52)41-23-27-43(28-24-41)54-20-8-16-45-18-10-34-68-60(45)54/h1-39H.
What are the key properties of 8-[4-[3-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9-difluorofluoren-3-yl]-5-(4-quinolin-8-ylphenyl)phenyl]phenyl]quinoline?
8-[4-[3-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9-difluorofluoren-3-yl]-5-(4-quinolin-8-ylphenyl)phenyl]phenyl]quinoline has a molecular weight of 916.05 g/mol, XLogP of 16.42, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[4-[3-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9-difluorofluoren-3-yl]-5-(4-quinolin-8-ylphenyl)phenyl]phenyl]quinoline is sourced from PubChem (CID 134271792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).