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

C51H33N3O — CID 164716850

IUPAC3,4-diphenyl-2-[4-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]furo[3,2-c]quinoline
SMILESc1ccc(-c2ccc(-c3cc(-c4ccc(-c5oc6c(c(-c7ccccc7)nc7ccccc76)c5-c5ccccc5)cc4)nc(-c4ccccc4)n3)cc2)cc1
InChIInChI=1S/C51H33N3O/c1-5-15-34(16-6-1)35-25-27-36(28-26-35)44-33-45(54-51(53-44)41-21-11-4-12-22-41)37-29-31-40(32-30-37)49-46(38-17-7-2-8-18-38)47-48(39-19-9-3-10-20-39)52-43-24-14-13-23-42(43)50(47)55-49/h1-33H
InChIKeyVMGFLALPZJOMJP-UHFFFAOYSA-N
MW703.85 g/mol
LogP13.44
Rot. Bonds7

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

3,4-diphenyl-2-[4-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]furo[3,2-c]quinoline (PubChem CID 164716850) has the molecular formula C51H33N3O and a molecular weight of 703.85 g/mol. Its IUPAC name is 3,4-diphenyl-2-[4-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]furo[3,2-c]quinoline.

Molecular Properties

Compound Name3,4-diphenyl-2-[4-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]furo[3,2-c]quinoline
PubChem CID164716850
Molecular FormulaC51H33N3O
Molecular Weight703.85 g/mol
Exact Mass703.26
IUPAC Name3,4-diphenyl-2-[4-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]furo[3,2-c]quinoline
SMILESc1ccc(-c2ccc(-c3cc(-c4ccc(-c5oc6c(c(-c7ccccc7)nc7ccccc76)c5-c5ccccc5)cc4)nc(-c4ccccc4)n3)cc2)cc1
InChIInChI=1S/C51H33N3O/c1-5-15-34(16-6-1)35-25-27-36(28-26-35)44-33-45(54-51(53-44)41-21-11-4-12-22-41)37-29-31-40(32-30-37)49-46(38-17-7-2-8-18-38)47-48(39-19-9-3-10-20-39)52-43-24-14-13-23-42(43)50(47)55-49/h1-33H
InChIKeyVMGFLALPZJOMJP-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

3,4-diphenyl-2-[3-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]furo[3,2-c]quinoline
CID 164716638
2,3,4-triphenyl-8-[4-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]furo[3,2-c]quinoline
CID 164716014
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
2-[3-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-3,4-diphenylfuro[3,2-c]quinoline
CID 164716861
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
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
2-[4-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-1,4-diphenylfuro[2,3-c]quinoline
CID 164716769
4-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-1,2-diphenylfuro[2,3-c]quinoline
CID 164716664
7-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2,3,4-triphenylfuro[3,2-c]quinoline
CID 164716190
1-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]-2,4-diphenylfuro[2,3-c]quinoline
CID 164716416

Frequently Asked Questions

What is the IUPAC name of 3,4-diphenyl-2-[4-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]furo[3,2-c]quinoline?
The IUPAC name of 3,4-diphenyl-2-[4-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]furo[3,2-c]quinoline (CID 164716850) is 3,4-diphenyl-2-[4-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]furo[3,2-c]quinoline.
What is the SMILES notation for 3,4-diphenyl-2-[4-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]furo[3,2-c]quinoline?
The canonical SMILES for 3,4-diphenyl-2-[4-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]furo[3,2-c]quinoline is c1ccc(-c2ccc(-c3cc(-c4ccc(-c5oc6c(c(-c7ccccc7)nc7ccccc76)c5-c5ccccc5)cc4)nc(-c4ccccc4)n3)cc2)cc1.
What is the InChIKey of 3,4-diphenyl-2-[4-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]furo[3,2-c]quinoline?
The InChIKey is VMGFLALPZJOMJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H33N3O/c1-5-15-34(16-6-1)35-25-27-36(28-26-35)44-33-45(54-51(53-44)41-21-11-4-12-22-41)37-29-31-40(32-30-37)49-46(38-17-7-2-8-18-38)47-48(39-19-9-3-10-20-39)52-43-24-14-13-23-42(43)50(47)55-49/h1-33H.
What are the key properties of 3,4-diphenyl-2-[4-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]furo[3,2-c]quinoline?
3,4-diphenyl-2-[4-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]furo[3,2-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 3,4-diphenyl-2-[4-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]furo[3,2-c]quinoline is sourced from PubChem (CID 164716850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).