6-[3-(4-dibenzofuran-3-yl-5-methyl-2-phenyl-4,5-dihydropyrimidin-6-yl)-5-quinolin-6-ylphenyl]quinoline

C47H32N4O — CID 154950020

IUPAC6-[3-(4-dibenzofuran-3-yl-5-methyl-2-phenyl-4,5-dihydropyrimidin-6-yl)-5-quinolin-6-ylphenyl]quinoline
SMILESCC1C(c2cc(-c3ccc4ncccc4c3)cc(-c3ccc4ncccc4c3)c2)=NC(c2ccccc2)=NC1c1ccc2c(c1)oc1ccccc12
InChIInChI=1S/C47H32N4O/c1-29-45(35-15-18-40-39-13-5-6-14-43(39)52-44(40)28-35)50-47(30-9-3-2-4-10-30)51-46(29)38-26-36(31-16-19-41-33(23-31)11-7-21-48-41)25-37(27-38)32-17-20-42-34(24-32)12-8-22-49-42/h2-29,45H,1H3
InChIKeyOCURXKWJCQOYQV-UHFFFAOYSA-N
MW668.80 g/mol
LogP11.64
Rot. Bonds5

About 6-[3-(4-dibenzofuran-3-yl-5-methyl-2-phenyl-4,5-dihydropyrimidin-6-yl)-5-quinolin-6-ylphenyl]quinoline

6-[3-(4-dibenzofuran-3-yl-5-methyl-2-phenyl-4,5-dihydropyrimidin-6-yl)-5-quinolin-6-ylphenyl]quinoline (PubChem CID 154950020) has the molecular formula C47H32N4O and a molecular weight of 668.80 g/mol. Its IUPAC name is 6-[3-(4-dibenzofuran-3-yl-5-methyl-2-phenyl-4,5-dihydropyrimidin-6-yl)-5-quinolin-6-ylphenyl]quinoline.

Molecular Properties

Compound Name6-[3-(4-dibenzofuran-3-yl-5-methyl-2-phenyl-4,5-dihydropyrimidin-6-yl)-5-quinolin-6-ylphenyl]quinoline
PubChem CID154950020
Molecular FormulaC47H32N4O
Molecular Weight668.80 g/mol
Exact Mass668.26
IUPAC Name6-[3-(4-dibenzofuran-3-yl-5-methyl-2-phenyl-4,5-dihydropyrimidin-6-yl)-5-quinolin-6-ylphenyl]quinoline
SMILESCC1C(c2cc(-c3ccc4ncccc4c3)cc(-c3ccc4ncccc4c3)c2)=NC(c2ccccc2)=NC1c1ccc2c(c1)oc1ccccc12
InChIInChI=1S/C47H32N4O/c1-29-45(35-15-18-40-39-13-5-6-14-43(39)52-44(40)28-35)50-47(30-9-3-2-4-10-30)51-46(29)38-26-36(31-16-19-41-33(23-31)11-7-21-48-41)25-37(27-38)32-17-20-42-34(24-32)12-8-22-49-42/h2-29,45H,1H3
InChIKeyOCURXKWJCQOYQV-UHFFFAOYSA-N
XLogP11.64
TPSA63.64 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500668.80
LogP ≤ 511.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

10-[4-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)naphthalen-2-yl]-[1]benzofuro[2,3-g]quinoline
CID 166502514
2-dibenzofuran-3-yl-4-naphthalen-2-yl-6-[3-(8-phenyldibenzofuran-1-yl)phenyl]-1,2-dihydro-1,3,5-triazine
CID 167030113
2-[4-[4-(2,6-diphenyl-4-pyridinyl)naphthalen-1-yl]phenyl]-5-methyl-4,6-diphenyl-4,5-dihydropyrimidine
CID 146646764
7-(3-dibenzofuran-4-ylphenyl)-5-[3-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]quinoline
CID 163632397
2-(4-dibenzofuran-3-ylphenyl)-4-[3-(3,5-diphenylphenyl)phenyl]-6-(4-phenylphenyl)-1,3,5-triazine
CID 168850214
3-[3-(6-dibenzofuran-3-yl-2-phenylpyrimidin-4-yl)-5-quinolin-3-ylphenyl]quinoline
CID 154950032
3-[3-(3-cinnolin-3-yl-5-dibenzofuran-3-ylphenyl)phenyl]-1,10-phenanthroline
CID 171459837
2-dibenzofuran-3-yl-4-(3-dibenzofuran-3-ylphenyl)-6-(3-phenylphenyl)-1,3,5-triazine
CID 168850239
2-dibenzofuran-3-yl-4-[3-(3-dibenzofuran-3-ylphenyl)phenyl]-6-phenyl-1,3,5-triazine
CID 138625830
5-[3-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)-5-phenanthren-9-ylphenyl]quinoline
CID 154949982
6-[3-[6-(3-quinolin-6-ylphenyl)phenanthren-1-yl]phenyl]quinoline
CID 121287344
10-[3-(4-dibenzofuran-3-yl-6-naphthalen-2-yl-1,3,5-triazin-2-yl)naphthalen-1-yl]-[1]benzofuro[2,3-g]quinoline;10-[4-(4-dibenzofuran-3-yl-6-naphthalen-1-yl-1,3,5-triazin-2-yl)naphthalen-2-yl]-[1]benzofuro[2,3-g]quinoline;10-[4-[4-dibenzofuran-3-yl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]naphthalen-2-yl]-[1]benzofuro[2,3-g]quinoline
CID 167554132

Frequently Asked Questions

What is the IUPAC name of 6-[3-(4-dibenzofuran-3-yl-5-methyl-2-phenyl-4,5-dihydropyrimidin-6-yl)-5-quinolin-6-ylphenyl]quinoline?
The IUPAC name of 6-[3-(4-dibenzofuran-3-yl-5-methyl-2-phenyl-4,5-dihydropyrimidin-6-yl)-5-quinolin-6-ylphenyl]quinoline (CID 154950020) is 6-[3-(4-dibenzofuran-3-yl-5-methyl-2-phenyl-4,5-dihydropyrimidin-6-yl)-5-quinolin-6-ylphenyl]quinoline.
What is the SMILES notation for 6-[3-(4-dibenzofuran-3-yl-5-methyl-2-phenyl-4,5-dihydropyrimidin-6-yl)-5-quinolin-6-ylphenyl]quinoline?
The canonical SMILES for 6-[3-(4-dibenzofuran-3-yl-5-methyl-2-phenyl-4,5-dihydropyrimidin-6-yl)-5-quinolin-6-ylphenyl]quinoline is CC1C(c2cc(-c3ccc4ncccc4c3)cc(-c3ccc4ncccc4c3)c2)=NC(c2ccccc2)=NC1c1ccc2c(c1)oc1ccccc12.
What is the InChIKey of 6-[3-(4-dibenzofuran-3-yl-5-methyl-2-phenyl-4,5-dihydropyrimidin-6-yl)-5-quinolin-6-ylphenyl]quinoline?
The InChIKey is OCURXKWJCQOYQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H32N4O/c1-29-45(35-15-18-40-39-13-5-6-14-43(39)52-44(40)28-35)50-47(30-9-3-2-4-10-30)51-46(29)38-26-36(31-16-19-41-33(23-31)11-7-21-48-41)25-37(27-38)32-17-20-42-34(24-32)12-8-22-49-42/h2-29,45H,1H3.
What are the key properties of 6-[3-(4-dibenzofuran-3-yl-5-methyl-2-phenyl-4,5-dihydropyrimidin-6-yl)-5-quinolin-6-ylphenyl]quinoline?
6-[3-(4-dibenzofuran-3-yl-5-methyl-2-phenyl-4,5-dihydropyrimidin-6-yl)-5-quinolin-6-ylphenyl]quinoline has a molecular weight of 668.80 g/mol, XLogP of 11.64, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-(4-dibenzofuran-3-yl-5-methyl-2-phenyl-4,5-dihydropyrimidin-6-yl)-5-quinolin-6-ylphenyl]quinoline is sourced from PubChem (CID 154950020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).