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

C51H33N3O — CID 164716835

IUPAC1,2-diphenyl-4-[3-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]furo[2,3-c]quinoline
SMILESc1ccc(-c2ccc(-c3cc(-c4cccc(-c5nc6ccccc6c6c(-c7ccccc7)c(-c7ccccc7)oc56)c4)nc(-c4ccccc4)n3)cc2)cc1
InChIInChI=1S/C51H33N3O/c1-5-16-34(17-6-1)35-28-30-36(31-29-35)44-33-45(54-51(53-44)39-22-11-4-12-23-39)40-24-15-25-41(32-40)48-50-47(42-26-13-14-27-43(42)52-48)46(37-18-7-2-8-19-37)49(55-50)38-20-9-3-10-21-38/h1-33H
InChIKeyATHHYGFEHBHZJT-UHFFFAOYSA-N
MW703.85 g/mol
LogP13.44
Rot. Bonds7

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

1,2-diphenyl-4-[3-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]furo[2,3-c]quinoline (PubChem CID 164716835) has the molecular formula C51H33N3O and a molecular weight of 703.85 g/mol. Its IUPAC name is 1,2-diphenyl-4-[3-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]furo[2,3-c]quinoline.

Molecular Properties

Compound Name1,2-diphenyl-4-[3-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]furo[2,3-c]quinoline
PubChem CID164716835
Molecular FormulaC51H33N3O
Molecular Weight703.85 g/mol
Exact Mass703.26
IUPAC Name1,2-diphenyl-4-[3-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]furo[2,3-c]quinoline
SMILESc1ccc(-c2ccc(-c3cc(-c4cccc(-c5nc6ccccc6c6c(-c7ccccc7)c(-c7ccccc7)oc56)c4)nc(-c4ccccc4)n3)cc2)cc1
InChIInChI=1S/C51H33N3O/c1-5-16-34(17-6-1)35-28-30-36(31-29-35)44-33-45(54-51(53-44)39-22-11-4-12-23-39)40-24-15-25-41(32-40)48-50-47(42-26-13-14-27-43(42)52-48)46(37-18-7-2-8-19-37)49(55-50)38-20-9-3-10-21-38/h1-33H
InChIKeyATHHYGFEHBHZJT-UHFFFAOYSA-N
XLogP13.44
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500703.85
LogP ≤ 513.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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-diphenyl-1-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]furo[2,3-c]quinoline
CID 164716397
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-(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
3,4-diphenyl-2-[3-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]furo[3,2-c]quinoline
CID 164716638
3,4-diphenyl-2-[4-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]furo[3,2-c]quinoline
CID 164716850
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
6-[3-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]phenyl]-[1]benzofuro[2,3-c]quinoline
CID 129085845
2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4-phenyl-1-triphenylen-2-ylfuro[2,3-c]quinoline
CID 164716960
2,3,4-triphenyl-8-[4-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]furo[3,2-c]quinoline
CID 164716014

Frequently Asked Questions

What is the IUPAC name of 1,2-diphenyl-4-[3-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]furo[2,3-c]quinoline?
The IUPAC name of 1,2-diphenyl-4-[3-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]furo[2,3-c]quinoline (CID 164716835) is 1,2-diphenyl-4-[3-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]furo[2,3-c]quinoline.
What is the SMILES notation for 1,2-diphenyl-4-[3-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]furo[2,3-c]quinoline?
The canonical SMILES for 1,2-diphenyl-4-[3-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]furo[2,3-c]quinoline is c1ccc(-c2ccc(-c3cc(-c4cccc(-c5nc6ccccc6c6c(-c7ccccc7)c(-c7ccccc7)oc56)c4)nc(-c4ccccc4)n3)cc2)cc1.
What is the InChIKey of 1,2-diphenyl-4-[3-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]furo[2,3-c]quinoline?
The InChIKey is ATHHYGFEHBHZJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H33N3O/c1-5-16-34(17-6-1)35-28-30-36(31-29-35)44-33-45(54-51(53-44)39-22-11-4-12-23-39)40-24-15-25-41(32-40)48-50-47(42-26-13-14-27-43(42)52-48)46(37-18-7-2-8-19-37)49(55-50)38-20-9-3-10-21-38/h1-33H.
What are the key properties of 1,2-diphenyl-4-[3-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]furo[2,3-c]quinoline?
1,2-diphenyl-4-[3-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]furo[2,3-c]quinoline has a molecular weight of 703.85 g/mol, XLogP of 13.44, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-diphenyl-4-[3-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]furo[2,3-c]quinoline is sourced from PubChem (CID 164716835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).