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

C50H32N4O — CID 164716664

IUPAC4-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-1,2-diphenylfuro[2,3-c]quinoline
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-c4ccc(-c5nc6ccccc6c6c(-c7ccccc7)c(-c7ccccc7)oc56)cc4)cc3)n2)cc1
InChIInChI=1S/C50H32N4O/c1-5-15-35(16-6-1)43-44-41-23-13-14-24-42(41)51-45(47(44)55-46(43)37-17-7-2-8-18-37)36-29-25-33(26-30-36)34-27-31-40(32-28-34)50-53-48(38-19-9-3-10-20-38)52-49(54-50)39-21-11-4-12-22-39/h1-32H
InChIKeyOGXCTOIAQJSXBX-UHFFFAOYSA-N
MW704.83 g/mol
LogP12.84
Rot. Bonds7

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

4-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-1,2-diphenylfuro[2,3-c]quinoline (PubChem CID 164716664) has the molecular formula C50H32N4O and a molecular weight of 704.83 g/mol. Its IUPAC name is 4-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-1,2-diphenylfuro[2,3-c]quinoline.

Molecular Properties

Compound Name4-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-1,2-diphenylfuro[2,3-c]quinoline
PubChem CID164716664
Molecular FormulaC50H32N4O
Molecular Weight704.83 g/mol
Exact Mass704.26
IUPAC Name4-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-1,2-diphenylfuro[2,3-c]quinoline
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-c4ccc(-c5nc6ccccc6c6c(-c7ccccc7)c(-c7ccccc7)oc56)cc4)cc3)n2)cc1
InChIInChI=1S/C50H32N4O/c1-5-15-35(16-6-1)43-44-41-23-13-14-24-42(41)51-45(47(44)55-46(43)37-17-7-2-8-18-37)36-29-25-33(26-30-36)34-27-31-40(32-28-34)50-53-48(38-19-9-3-10-20-38)52-49(54-50)39-21-11-4-12-22-39/h1-32H
InChIKeyOGXCTOIAQJSXBX-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

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-[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 4-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-1,2-diphenylfuro[2,3-c]quinoline?
The IUPAC name of 4-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-1,2-diphenylfuro[2,3-c]quinoline (CID 164716664) is 4-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-1,2-diphenylfuro[2,3-c]quinoline.
What is the SMILES notation for 4-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-1,2-diphenylfuro[2,3-c]quinoline?
The canonical SMILES for 4-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-1,2-diphenylfuro[2,3-c]quinoline is c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-c4ccc(-c5nc6ccccc6c6c(-c7ccccc7)c(-c7ccccc7)oc56)cc4)cc3)n2)cc1.
What is the InChIKey of 4-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-1,2-diphenylfuro[2,3-c]quinoline?
The InChIKey is OGXCTOIAQJSXBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H32N4O/c1-5-15-35(16-6-1)43-44-41-23-13-14-24-42(41)51-45(47(44)55-46(43)37-17-7-2-8-18-37)36-29-25-33(26-30-36)34-27-31-40(32-28-34)50-53-48(38-19-9-3-10-20-38)52-49(54-50)39-21-11-4-12-22-39/h1-32H.
What are the key properties of 4-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-1,2-diphenylfuro[2,3-c]quinoline?
4-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-1,2-diphenylfuro[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 4-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-1,2-diphenylfuro[2,3-c]quinoline is sourced from PubChem (CID 164716664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).