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

C54H34N4O — CID 159778043

IUPAC4-[3-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-6-phenyl-[1]benzofuro[3,2-c]quinoline
SMILESc1ccc(-c2ccc(-c3nc(-c4ccc(-c5ccccc5)cc4)nc(-c4cccc(-c5cccc6c5nc(-c5ccccc5)c5c7ccccc7oc65)c4)n3)cc2)cc1
InChIInChI=1S/C54H34N4O/c1-4-14-35(15-5-1)37-26-30-40(31-27-37)52-56-53(41-32-28-38(29-33-41)36-16-6-2-7-17-36)58-54(57-52)43-21-12-20-42(34-43)44-23-13-24-46-50(44)55-49(39-18-8-3-9-19-39)48-45-22-10-11-25-47(45)59-51(46)48/h1-34H
InChIKeyXKVAUUIRTHWJJN-UHFFFAOYSA-N
MW754.89 g/mol
LogP13.99
Rot. Bonds7

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

4-[3-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-6-phenyl-[1]benzofuro[3,2-c]quinoline (PubChem CID 159778043) has the molecular formula C54H34N4O and a molecular weight of 754.89 g/mol. Its IUPAC name is 4-[3-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-6-phenyl-[1]benzofuro[3,2-c]quinoline.

Molecular Properties

Compound Name4-[3-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-6-phenyl-[1]benzofuro[3,2-c]quinoline
PubChem CID159778043
Molecular FormulaC54H34N4O
Molecular Weight754.89 g/mol
Exact Mass754.27
IUPAC Name4-[3-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-6-phenyl-[1]benzofuro[3,2-c]quinoline
SMILESc1ccc(-c2ccc(-c3nc(-c4ccc(-c5ccccc5)cc4)nc(-c4cccc(-c5cccc6c5nc(-c5ccccc5)c5c7ccccc7oc65)c4)n3)cc2)cc1
InChIInChI=1S/C54H34N4O/c1-4-14-35(15-5-1)37-26-30-40(31-27-37)52-56-53(41-32-28-38(29-33-41)36-16-6-2-7-17-36)58-54(57-52)43-21-12-20-42(34-43)44-23-13-24-46-50(44)55-49(39-18-8-3-9-19-39)48-45-22-10-11-25-47(45)59-51(46)48/h1-34H
InChIKeyXKVAUUIRTHWJJN-UHFFFAOYSA-N
XLogP13.99
TPSA64.70 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms59
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500754.89
LogP ≤ 513.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-[4-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-6-phenyl-[1]benzofuro[3,2-c]quinoline;4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6-phenyl-[1]benzofuro[3,2-c]quinoline;4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6-phenyl-[1]benzofuro[3,2-c]quinoline;6-phenyl-4-[4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-[1]benzofuro[3,2-c]quinoline
CID 158226926
4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6-phenyl-[1]benzofuro[3,2-c]quinoline
CID 158226927
4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6-phenyl-[1]benzofuro[3,2-c]quinoline
CID 158226928
4-(2,6-diphenylpyrimidin-4-yl)-6-phenyl-[1]benzofuro[3,2-c]quinoline
CID 158448378
4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6-triphenylen-2-yl-[1]benzofuro[3,2-c]quinoline
CID 157112850
4-(2,6-diphenylpyrimidin-4-yl)-6-(4-naphthalen-1-ylphenyl)-[1]benzofuro[3,2-c]quinoline
CID 158431383
6-phenyl-3-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-[1]benzofuro[3,2-c]quinoline
CID 157091257
6-[3-(4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-4-(3-phenylphenyl)-[1]benzofuro[2,3-c]quinoline
CID 160531838
2-(3-dibenzofuran-1-ylphenyl)-4-[4-(3-dibenzofuran-1-ylphenyl)phenyl]-6-(3-phenylphenyl)-1,3,5-triazine
CID 139303458
4-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-6-naphthalen-1-yl-[1]benzofuro[3,2-c]quinoline
CID 159893353
4-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-6-phenanthren-9-yl-[1]benzofuro[3,2-c]quinoline;6-phenanthren-9-yl-4-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]-[1]benzofuro[3,2-c]quinoline;6-phenanthren-9-yl-4-[6-phenyl-2-(4-phenylphenyl)pyrimidin-4-yl]-[1]benzofuro[3,2-c]quinoline;6-phenanthren-9-yl-4-[4-[4-phenyl-6-(4-phenylphenyl)pyrimidin-2-yl]phenyl]-[1]benzofuro[3,2-c]quinoline
CID 161214139
4-(2,6-diphenylpyrimidin-4-yl)-6-naphthalen-1-yl-[1]benzofuro[3,2-c]quinoline
CID 159309562

Frequently Asked Questions

What is the IUPAC name of 4-[3-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-6-phenyl-[1]benzofuro[3,2-c]quinoline?
The IUPAC name of 4-[3-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-6-phenyl-[1]benzofuro[3,2-c]quinoline (CID 159778043) is 4-[3-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-6-phenyl-[1]benzofuro[3,2-c]quinoline.
What is the SMILES notation for 4-[3-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-6-phenyl-[1]benzofuro[3,2-c]quinoline?
The canonical SMILES for 4-[3-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-6-phenyl-[1]benzofuro[3,2-c]quinoline is c1ccc(-c2ccc(-c3nc(-c4ccc(-c5ccccc5)cc4)nc(-c4cccc(-c5cccc6c5nc(-c5ccccc5)c5c7ccccc7oc65)c4)n3)cc2)cc1.
What is the InChIKey of 4-[3-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-6-phenyl-[1]benzofuro[3,2-c]quinoline?
The InChIKey is XKVAUUIRTHWJJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H34N4O/c1-4-14-35(15-5-1)37-26-30-40(31-27-37)52-56-53(41-32-28-38(29-33-41)36-16-6-2-7-17-36)58-54(57-52)43-21-12-20-42(34-43)44-23-13-24-46-50(44)55-49(39-18-8-3-9-19-39)48-45-22-10-11-25-47(45)59-51(46)48/h1-34H.
What are the key properties of 4-[3-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-6-phenyl-[1]benzofuro[3,2-c]quinoline?
4-[3-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-6-phenyl-[1]benzofuro[3,2-c]quinoline has a molecular weight of 754.89 g/mol, XLogP of 13.99, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-6-phenyl-[1]benzofuro[3,2-c]quinoline is sourced from PubChem (CID 159778043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).