8-[4-(2,6-dinaphthalen-2-yl-2,5-dihydropyrimidin-4-yl)phenyl]quinoline

C39H27N3 — CID 91136177

IUPAC8-[4-(2,6-dinaphthalen-2-yl-2,5-dihydropyrimidin-4-yl)phenyl]quinoline
SMILESc1ccc2cc(C3=NC(c4ccc5ccccc5c4)N=C(c4ccc(-c5cccc6cccnc56)cc4)C3)ccc2c1
InChIInChI=1S/C39H27N3/c1-3-9-31-23-33(20-14-26(31)7-1)37-25-36(41-39(42-37)34-21-15-27-8-2-4-10-32(27)24-34)29-18-16-28(17-19-29)35-13-5-11-30-12-6-22-40-38(30)35/h1-24,39H,25H2
InChIKeyONEZWSHCYIKRRQ-UHFFFAOYSA-N
MW537.67 g/mol
LogP9.59
Rot. Bonds4

About 8-[4-(2,6-dinaphthalen-2-yl-2,5-dihydropyrimidin-4-yl)phenyl]quinoline

8-[4-(2,6-dinaphthalen-2-yl-2,5-dihydropyrimidin-4-yl)phenyl]quinoline (PubChem CID 91136177) has the molecular formula C39H27N3 and a molecular weight of 537.67 g/mol. Its IUPAC name is 8-[4-(2,6-dinaphthalen-2-yl-2,5-dihydropyrimidin-4-yl)phenyl]quinoline.

Molecular Properties

Compound Name8-[4-(2,6-dinaphthalen-2-yl-2,5-dihydropyrimidin-4-yl)phenyl]quinoline
PubChem CID91136177
Molecular FormulaC39H27N3
Molecular Weight537.67 g/mol
Exact Mass537.22
IUPAC Name8-[4-(2,6-dinaphthalen-2-yl-2,5-dihydropyrimidin-4-yl)phenyl]quinoline
SMILESc1ccc2cc(C3=NC(c4ccc5ccccc5c4)N=C(c4ccc(-c5cccc6cccnc56)cc4)C3)ccc2c1
InChIInChI=1S/C39H27N3/c1-3-9-31-23-33(20-14-26(31)7-1)37-25-36(41-39(42-37)34-21-15-27-8-2-4-10-32(27)24-34)29-18-16-28(17-19-29)35-13-5-11-30-12-6-22-40-38(30)35/h1-24,39H,25H2
InChIKeyONEZWSHCYIKRRQ-UHFFFAOYSA-N
XLogP9.59
TPSA37.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500537.67
LogP ≤ 59.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 8-[4-(2,6-dinaphthalen-2-yl-2,5-dihydropyrimidin-4-yl)phenyl]quinoline with MolForge

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Related Compounds

8-[4-[4-(7-methylnaphthalen-2-yl)-6-naphthalen-2-yl-1,3,5-triazin-2-yl]phenyl]quinoline
CID 166933091
mercury;8-phenylquinoline;hydrate
CID 174770535
8-(3-quinolin-8-ylphenyl)quinoline
CID 90955641
8-[4-[4-(10-naphthalen-2-ylanthracen-9-yl)-6-(4-quinolin-8-ylphenyl)pyrimidin-2-yl]phenyl]quinoline
CID 58322624
8-[4-[5-naphthalen-2-yl-1-(naphthalen-2-ylmethyl)-1,2,4-triazol-3-yl]phenyl]quinoline
CID 163886694
8-(12,16-diphenyl-18-quinolin-8-yl-10-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaenyl)quinoline
CID 144854633
8-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]quinoline
CID 58462299
9-[6-naphthalen-2-yl-4-(4-phenylnaphthalen-2-yl)-1,4-dihydro-1,3,5-triazin-2-yl]-[1]benzofuro[3,2-b]pyridine
CID 163907995
N,N-diphenyl-4-quinolin-8-ylaniline
CID 122210729
8-[3-(4-phenanthren-9-ylphenyl)-5-quinolin-8-ylphenyl]quinoline
CID 171422431
8-[4-[8-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]naphthalen-1-yl]phenyl]quinoline
CID 121402277
2-(3-benzo[g]quinolin-2-yl-5-quinolin-8-ylphenyl)benzo[g]quinoline
CID 139364035

Frequently Asked Questions

What is the IUPAC name of 8-[4-(2,6-dinaphthalen-2-yl-2,5-dihydropyrimidin-4-yl)phenyl]quinoline?
The IUPAC name of 8-[4-(2,6-dinaphthalen-2-yl-2,5-dihydropyrimidin-4-yl)phenyl]quinoline (CID 91136177) is 8-[4-(2,6-dinaphthalen-2-yl-2,5-dihydropyrimidin-4-yl)phenyl]quinoline.
What is the SMILES notation for 8-[4-(2,6-dinaphthalen-2-yl-2,5-dihydropyrimidin-4-yl)phenyl]quinoline?
The canonical SMILES for 8-[4-(2,6-dinaphthalen-2-yl-2,5-dihydropyrimidin-4-yl)phenyl]quinoline is c1ccc2cc(C3=NC(c4ccc5ccccc5c4)N=C(c4ccc(-c5cccc6cccnc56)cc4)C3)ccc2c1.
What is the InChIKey of 8-[4-(2,6-dinaphthalen-2-yl-2,5-dihydropyrimidin-4-yl)phenyl]quinoline?
The InChIKey is ONEZWSHCYIKRRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H27N3/c1-3-9-31-23-33(20-14-26(31)7-1)37-25-36(41-39(42-37)34-21-15-27-8-2-4-10-32(27)24-34)29-18-16-28(17-19-29)35-13-5-11-30-12-6-22-40-38(30)35/h1-24,39H,25H2.
What are the key properties of 8-[4-(2,6-dinaphthalen-2-yl-2,5-dihydropyrimidin-4-yl)phenyl]quinoline?
8-[4-(2,6-dinaphthalen-2-yl-2,5-dihydropyrimidin-4-yl)phenyl]quinoline has a molecular weight of 537.67 g/mol, XLogP of 9.59, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[4-(2,6-dinaphthalen-2-yl-2,5-dihydropyrimidin-4-yl)phenyl]quinoline is sourced from PubChem (CID 91136177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).