7-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4-naphthalen-2-yl-2,3-dipyridin-4-ylfuro[3,2-c]quinoline

C52H32N6O — CID 164716605

IUPAC7-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4-naphthalen-2-yl-2,3-dipyridin-4-ylfuro[3,2-c]quinoline
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3cccc(-c4ccc5c(c4)nc(-c4ccc6ccccc6c4)c4c(-c6ccncc6)c(-c6ccncc6)oc45)c3)n2)cc1
InChIInChI=1S/C52H32N6O/c1-3-11-36(12-4-1)50-56-51(37-13-5-2-6-14-37)58-52(57-50)42-17-9-16-39(31-42)40-20-21-43-44(32-40)55-47(41-19-18-33-10-7-8-15-38(33)30-41)46-45(34-22-26-53-27-23-34)48(59-49(43)46)35-24-28-54-29-25-35/h1-32H
InChIKeyFOHVDRKMBAESAY-UHFFFAOYSA-N
MW756.87 g/mol
LogP12.78
Rot. Bonds7

About 7-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4-naphthalen-2-yl-2,3-dipyridin-4-ylfuro[3,2-c]quinoline

7-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4-naphthalen-2-yl-2,3-dipyridin-4-ylfuro[3,2-c]quinoline (PubChem CID 164716605) has the molecular formula C52H32N6O and a molecular weight of 756.87 g/mol. Its IUPAC name is 7-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4-naphthalen-2-yl-2,3-dipyridin-4-ylfuro[3,2-c]quinoline.

Molecular Properties

Compound Name7-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4-naphthalen-2-yl-2,3-dipyridin-4-ylfuro[3,2-c]quinoline
PubChem CID164716605
Molecular FormulaC52H32N6O
Molecular Weight756.87 g/mol
Exact Mass756.26
IUPAC Name7-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4-naphthalen-2-yl-2,3-dipyridin-4-ylfuro[3,2-c]quinoline
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3cccc(-c4ccc5c(c4)nc(-c4ccc6ccccc6c4)c4c(-c6ccncc6)c(-c6ccncc6)oc45)c3)n2)cc1
InChIInChI=1S/C52H32N6O/c1-3-11-36(12-4-1)50-56-51(37-13-5-2-6-14-37)58-52(57-50)42-17-9-16-39(31-42)40-20-21-43-44(32-40)55-47(41-19-18-33-10-7-8-15-38(33)30-41)46-45(34-22-26-53-27-23-34)48(59-49(43)46)35-24-28-54-29-25-35/h1-32H
InChIKeyFOHVDRKMBAESAY-UHFFFAOYSA-N
XLogP12.78
TPSA90.48 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms59
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500756.87
LogP ≤ 512.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

7-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2,3,4-triphenylfuro[3,2-c]quinoline
CID 164716190
8-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4-naphthalen-2-yl-2,3-diphenylfuro[3,2-c]quinoline
CID 164716017
2-[3-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-3,4-diphenylfuro[3,2-c]quinoline
CID 164716861
8-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]-2,3,4-triphenylfuro[3,2-c]quinoline;8-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-2,3,4-triphenylfuro[3,2-c]quinoline;2,3,4-triphenyl-8-[4-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]furo[3,2-c]quinoline
CID 165010573
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
4-[4-[4-(4-dibenzothiophen-4-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-2,3-diphenylfuro[3,2-c]quinoline;4-[4-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenyl]-2,3-diphenylfuro[3,2-c]quinoline;2,3-diphenyl-4-[4-[10-(4-phenylphenyl)anthracen-9-yl]phenyl]furo[3,2-c]quinoline;2,3-diphenyl-4-(4-triphenylen-2-ylphenyl)furo[3,2-c]quinoline
CID 165072083
6-phenyl-3-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-[1]benzofuro[3,2-c]quinoline
CID 157091257
2,3,4-triphenyl-8-[4-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]furo[3,2-c]quinoline
CID 164716014
2,4-diphenyl-1-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]furo[2,3-c]quinoline
CID 164716397
2,3,4-triphenyl-8-[4-(2-phenylquinazolin-4-yl)phenyl]furo[3,2-c]quinoline
CID 164716866
22-[3-[3-(4,6-dipyridin-4-yl-1,3,5-triazin-2-yl)phenyl]phenyl]-21-azapentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaene
CID 121475222

Frequently Asked Questions

What is the IUPAC name of 7-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4-naphthalen-2-yl-2,3-dipyridin-4-ylfuro[3,2-c]quinoline?
The IUPAC name of 7-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4-naphthalen-2-yl-2,3-dipyridin-4-ylfuro[3,2-c]quinoline (CID 164716605) is 7-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4-naphthalen-2-yl-2,3-dipyridin-4-ylfuro[3,2-c]quinoline.
What is the SMILES notation for 7-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4-naphthalen-2-yl-2,3-dipyridin-4-ylfuro[3,2-c]quinoline?
The canonical SMILES for 7-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4-naphthalen-2-yl-2,3-dipyridin-4-ylfuro[3,2-c]quinoline is c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc(-c4ccc5c(c4)nc(-c4ccc6ccccc6c4)c4c(-c6ccncc6)c(-c6ccncc6)oc45)c3)n2)cc1.
What is the InChIKey of 7-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4-naphthalen-2-yl-2,3-dipyridin-4-ylfuro[3,2-c]quinoline?
The InChIKey is FOHVDRKMBAESAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H32N6O/c1-3-11-36(12-4-1)50-56-51(37-13-5-2-6-14-37)58-52(57-50)42-17-9-16-39(31-42)40-20-21-43-44(32-40)55-47(41-19-18-33-10-7-8-15-38(33)30-41)46-45(34-22-26-53-27-23-34)48(59-49(43)46)35-24-28-54-29-25-35/h1-32H.
What are the key properties of 7-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4-naphthalen-2-yl-2,3-dipyridin-4-ylfuro[3,2-c]quinoline?
7-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4-naphthalen-2-yl-2,3-dipyridin-4-ylfuro[3,2-c]quinoline has a molecular weight of 756.87 g/mol, XLogP of 12.78, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4-naphthalen-2-yl-2,3-dipyridin-4-ylfuro[3,2-c]quinoline is sourced from PubChem (CID 164716605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).