2,4-diphenyl-1-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]furo[2,3-c]quinoline

C50H32N4O — CID 164716397

IUPAC2,4-diphenyl-1-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]furo[2,3-c]quinoline
SMILESc1ccc(-c2ccc(-c3nc(-c4ccccc4)nc(-c4cccc(-c5c(-c6ccccc6)oc6c(-c7ccccc7)nc7ccccc7c56)c4)n3)cc2)cc1
InChIInChI=1S/C50H32N4O/c1-5-16-33(17-6-1)34-28-30-38(31-29-34)49-52-48(37-22-11-4-12-23-37)53-50(54-49)40-25-15-24-39(32-40)43-44-41-26-13-14-27-42(41)51-45(35-18-7-2-8-19-35)47(44)55-46(43)36-20-9-3-10-21-36/h1-32H
InChIKeyILKKHWLBPVUWTP-UHFFFAOYSA-N
MW704.83 g/mol
LogP12.84
Rot. Bonds7

About 2,4-diphenyl-1-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]furo[2,3-c]quinoline

2,4-diphenyl-1-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]furo[2,3-c]quinoline (PubChem CID 164716397) has the molecular formula C50H32N4O and a molecular weight of 704.83 g/mol. Its IUPAC name is 2,4-diphenyl-1-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]furo[2,3-c]quinoline.

Molecular Properties

Compound Name2,4-diphenyl-1-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]furo[2,3-c]quinoline
PubChem CID164716397
Molecular FormulaC50H32N4O
Molecular Weight704.83 g/mol
Exact Mass704.26
IUPAC Name2,4-diphenyl-1-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]furo[2,3-c]quinoline
SMILESc1ccc(-c2ccc(-c3nc(-c4ccccc4)nc(-c4cccc(-c5c(-c6ccccc6)oc6c(-c7ccccc7)nc7ccccc7c56)c4)n3)cc2)cc1
InChIInChI=1S/C50H32N4O/c1-5-16-33(17-6-1)34-28-30-38(31-29-34)49-52-48(37-22-11-4-12-23-37)53-50(54-49)40-25-15-24-39(32-40)43-44-41-26-13-14-27-42(41)51-45(35-18-7-2-8-19-35)47(44)55-46(43)36-20-9-3-10-21-36/h1-32H
InChIKeyILKKHWLBPVUWTP-UHFFFAOYSA-N
XLogP12.84
TPSA64.70 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500704.83
LogP ≤ 512.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-1,2-diphenylfuro[2,3-c]quinoline
CID 164716664
2-[4-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-1,4-diphenylfuro[2,3-c]quinoline
CID 164716769
2,4-diphenyl-1-[3-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]furo[2,3-c]quinoline
CID 164716946
2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4-phenyl-1-triphenylen-2-ylfuro[2,3-c]quinoline
CID 164716960
2-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-4-phenyl-1-triphenylen-2-ylfuro[2,3-c]quinoline;2-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-4-phenyl-1-triphenylen-2-ylfuro[2,3-c]quinoline;2-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-4-phenyl-1-triphenylen-2-ylfuro[2,3-c]quinoline
CID 165077999
1-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]-2,4-diphenylfuro[2,3-c]quinoline
CID 164716416
1,2-diphenyl-4-[3-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]furo[2,3-c]quinoline
CID 164716835
2-[3-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-3,4-diphenylfuro[3,2-c]quinoline
CID 164716861
7-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2,3,4-triphenylfuro[3,2-c]quinoline
CID 164716190
3,4-diphenyl-2-[4-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]furo[3,2-c]quinoline
CID 164716850
3,4-diphenyl-2-[3-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]furo[3,2-c]quinoline
CID 164716638
2,3,4-triphenyl-8-[4-(4-phenylphenyl)quinazolin-2-yl]furo[3,2-c]quinoline
CID 164716970

Frequently Asked Questions

What is the IUPAC name of 2,4-diphenyl-1-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]furo[2,3-c]quinoline?
The IUPAC name of 2,4-diphenyl-1-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]furo[2,3-c]quinoline (CID 164716397) is 2,4-diphenyl-1-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]furo[2,3-c]quinoline.
What is the SMILES notation for 2,4-diphenyl-1-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]furo[2,3-c]quinoline?
The canonical SMILES for 2,4-diphenyl-1-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]furo[2,3-c]quinoline is c1ccc(-c2ccc(-c3nc(-c4ccccc4)nc(-c4cccc(-c5c(-c6ccccc6)oc6c(-c7ccccc7)nc7ccccc7c56)c4)n3)cc2)cc1.
What is the InChIKey of 2,4-diphenyl-1-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]furo[2,3-c]quinoline?
The InChIKey is ILKKHWLBPVUWTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H32N4O/c1-5-16-33(17-6-1)34-28-30-38(31-29-34)49-52-48(37-22-11-4-12-23-37)53-50(54-49)40-25-15-24-39(32-40)43-44-41-26-13-14-27-42(41)51-45(35-18-7-2-8-19-35)47(44)55-46(43)36-20-9-3-10-21-36/h1-32H.
What are the key properties of 2,4-diphenyl-1-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]furo[2,3-c]quinoline?
2,4-diphenyl-1-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]furo[2,3-c]quinoline has a molecular weight of 704.83 g/mol, XLogP of 12.84, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-diphenyl-1-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]furo[2,3-c]quinoline is sourced from PubChem (CID 164716397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).