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

C56H36N4O — CID 164716769

IUPAC2-[4-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-1,4-diphenylfuro[2,3-c]quinoline
SMILESc1ccc(-c2ccc(-c3nc(-c4ccc(-c5ccccc5)cc4)nc(-c4ccc(-c5oc6c(-c7ccccc7)nc7ccccc7c6c5-c5ccccc5)cc4)n3)cc2)cc1
InChIInChI=1S/C56H36N4O/c1-5-15-37(16-6-1)39-25-31-44(32-26-39)54-58-55(45-33-27-40(28-34-45)38-17-7-2-8-18-38)60-56(59-54)46-35-29-43(30-36-46)52-49(41-19-9-3-10-20-41)50-47-23-13-14-24-48(47)57-51(53(50)61-52)42-21-11-4-12-22-42/h1-36H
InChIKeySMALRVLLOWUCBV-UHFFFAOYSA-N
MW780.93 g/mol
LogP14.50
Rot. Bonds8

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

2-[4-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-1,4-diphenylfuro[2,3-c]quinoline (PubChem CID 164716769) has the molecular formula C56H36N4O and a molecular weight of 780.93 g/mol. Its IUPAC name is 2-[4-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-1,4-diphenylfuro[2,3-c]quinoline.

Molecular Properties

Compound Name2-[4-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-1,4-diphenylfuro[2,3-c]quinoline
PubChem CID164716769
Molecular FormulaC56H36N4O
Molecular Weight780.93 g/mol
Exact Mass780.29
IUPAC Name2-[4-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-1,4-diphenylfuro[2,3-c]quinoline
SMILESc1ccc(-c2ccc(-c3nc(-c4ccc(-c5ccccc5)cc4)nc(-c4ccc(-c5oc6c(-c7ccccc7)nc7ccccc7c6c5-c5ccccc5)cc4)n3)cc2)cc1
InChIInChI=1S/C56H36N4O/c1-5-15-37(16-6-1)39-25-31-44(32-26-39)54-58-55(45-33-27-40(28-34-45)38-17-7-2-8-18-38)60-56(59-54)46-35-29-43(30-36-46)52-49(41-19-9-3-10-20-41)50-47-23-13-14-24-48(47)57-51(53(50)61-52)42-21-11-4-12-22-42/h1-36H
InChIKeySMALRVLLOWUCBV-UHFFFAOYSA-N
XLogP14.50
TPSA64.70 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms61
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500780.93
LogP ≤ 514.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-[4-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-1,4-diphenylfuro[2,3-c]quinoline with MolForge

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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-diphenyl-1-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]furo[2,3-c]quinoline
CID 164716397
2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4-phenyl-1-triphenylen-2-ylfuro[2,3-c]quinoline
CID 164716960
1,2-diphenyl-4-[3-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]furo[2,3-c]quinoline
CID 164716835
2,4-diphenyl-1-[3-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]furo[2,3-c]quinoline
CID 164716946
1-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]-2,4-diphenylfuro[2,3-c]quinoline
CID 164716416
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
2-[3-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-3,4-diphenylfuro[3,2-c]quinoline
CID 164716861
3,4-diphenyl-2-[4-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]furo[3,2-c]quinoline
CID 164716850
2,3,4-triphenyl-8-[4-(2-phenylquinazolin-4-yl)phenyl]furo[3,2-c]quinoline
CID 164716866
2,3,4-triphenyl-8-[4-(4-phenylphenyl)quinazolin-2-yl]furo[3,2-c]quinoline
CID 164716970
8-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4-phenyl-1,2-dipyridin-3-ylfuro[2,3-c]quinoline
CID 164716756

Frequently Asked Questions

What is the IUPAC name of 2-[4-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-1,4-diphenylfuro[2,3-c]quinoline?
The IUPAC name of 2-[4-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-1,4-diphenylfuro[2,3-c]quinoline (CID 164716769) is 2-[4-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-1,4-diphenylfuro[2,3-c]quinoline.
What is the SMILES notation for 2-[4-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-1,4-diphenylfuro[2,3-c]quinoline?
The canonical SMILES for 2-[4-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-1,4-diphenylfuro[2,3-c]quinoline is c1ccc(-c2ccc(-c3nc(-c4ccc(-c5ccccc5)cc4)nc(-c4ccc(-c5oc6c(-c7ccccc7)nc7ccccc7c6c5-c5ccccc5)cc4)n3)cc2)cc1.
What is the InChIKey of 2-[4-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-1,4-diphenylfuro[2,3-c]quinoline?
The InChIKey is SMALRVLLOWUCBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H36N4O/c1-5-15-37(16-6-1)39-25-31-44(32-26-39)54-58-55(45-33-27-40(28-34-45)38-17-7-2-8-18-38)60-56(59-54)46-35-29-43(30-36-46)52-49(41-19-9-3-10-20-41)50-47-23-13-14-24-48(47)57-51(53(50)61-52)42-21-11-4-12-22-42/h1-36H.
What are the key properties of 2-[4-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-1,4-diphenylfuro[2,3-c]quinoline?
2-[4-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-1,4-diphenylfuro[2,3-c]quinoline has a molecular weight of 780.93 g/mol, XLogP of 14.50, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-1,4-diphenylfuro[2,3-c]quinoline is sourced from PubChem (CID 164716769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).