2-(7-naphthalen-2-yl-6,7-dihydrodibenzofuran-3-yl)-4,6-diphenylpyrimidine

C38H26N2O — CID 167403198

IUPAC2-(7-naphthalen-2-yl-6,7-dihydrodibenzofuran-3-yl)-4,6-diphenylpyrimidine
SMILESC1=CC(c2ccc3ccccc3c2)Cc2oc3cc(-c4nc(-c5ccccc5)cc(-c5ccccc5)n4)ccc3c21
InChIInChI=1S/C38H26N2O/c1-3-10-26(11-4-1)34-24-35(27-12-5-2-6-13-27)40-38(39-34)31-18-20-33-32-19-17-30(22-36(32)41-37(33)23-31)29-16-15-25-9-7-8-14-28(25)21-29/h1-21,23-24,30H,22H2
InChIKeyVXMYFAIVDWVGIX-UHFFFAOYSA-N
MW526.64 g/mol
LogP9.73
Rot. Bonds4

About 2-(7-naphthalen-2-yl-6,7-dihydrodibenzofuran-3-yl)-4,6-diphenylpyrimidine

2-(7-naphthalen-2-yl-6,7-dihydrodibenzofuran-3-yl)-4,6-diphenylpyrimidine (PubChem CID 167403198) has the molecular formula C38H26N2O and a molecular weight of 526.64 g/mol. Its IUPAC name is 2-(7-naphthalen-2-yl-6,7-dihydrodibenzofuran-3-yl)-4,6-diphenylpyrimidine.

Molecular Properties

Compound Name2-(7-naphthalen-2-yl-6,7-dihydrodibenzofuran-3-yl)-4,6-diphenylpyrimidine
PubChem CID167403198
Molecular FormulaC38H26N2O
Molecular Weight526.64 g/mol
Exact Mass526.20
IUPAC Name2-(7-naphthalen-2-yl-6,7-dihydrodibenzofuran-3-yl)-4,6-diphenylpyrimidine
SMILESC1=CC(c2ccc3ccccc3c2)Cc2oc3cc(-c4nc(-c5ccccc5)cc(-c5ccccc5)n4)ccc3c21
InChIInChI=1S/C38H26N2O/c1-3-10-26(11-4-1)34-24-35(27-12-5-2-6-13-27)40-38(39-34)31-18-20-33-32-19-17-30(22-36(32)41-37(33)23-31)29-16-15-25-9-7-8-14-28(25)21-29/h1-21,23-24,30H,22H2
InChIKeyVXMYFAIVDWVGIX-UHFFFAOYSA-N
XLogP9.73
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500526.64
LogP ≤ 59.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2,4-diphenyl-6-[4-[5-(3-phenylphenyl)-9,10-dihydronaphtho[1,2-b][1]benzofuran-9-yl]phenyl]pyrimidine
CID 167113780
2-[7-(4,6-diphenylpyrimidin-2-yl)dibenzofuran-3-yl]-4,6-diphenylpyrimidine
CID 164799736
7-[7-(2-naphthalen-2-yl-6-phenyl-1,4-dihydro-1,3,5-triazin-4-yl)-3,4-dihydrodibenzofuran-3-yl]naphthalene-1,2,3,4,5,6,8-heptol
CID 167402658
2-dibenzofuran-3-yl-4-(3-naphthalen-2-ylphenyl)-6-(4-phenylphenyl)pyrimidine
CID 130465791
4-(3-dibenzofuran-3-yl-5-phenylphenyl)-2-(4-naphthalen-2-ylphenyl)-6-phenylpyrimidine
CID 171583004
2-(7-naphthalen-2-yldibenzofuran-3-yl)-4,6-diphenyl-1,3,5-triazine
CID 142491219
2-naphthalen-2-yl-4-(6-naphtho[2,3-b][1]benzofuran-3-ylnaphthalen-2-yl)-6-phenyl-1,3,5-triazine
CID 146919730
2-(4-naphthalen-2-ylphenyl)-4-phenyl-6-[4-(7-phenyldibenzofuran-3-yl)phenyl]-1,3,5-triazine
CID 170213966
2-naphthalen-2-yl-4-(4-naphthalen-2-ylphenyl)-6-[4-(7-phenyldibenzofuran-3-yl)phenyl]-1,3,5-triazine
CID 170213969
4-(3-dibenzofuran-3-yl-5-naphthalen-2-ylphenyl)-6-naphthalen-2-yl-2-phenylpyrimidine
CID 171583452
2-dibenzofuran-3-yl-4-[3-[3-(6-naphthalen-2-yl-2-phenylpyrimidin-4-yl)phenyl]phenyl]-6-(3-phenylphenyl)-1,3,5-triazine
CID 154613642
2-[3-(4-naphthalen-2-ylphenyl)-3,4-dihydrodibenzofuran-1-yl]-4,6-diphenyl-1,3,5-triazine
CID 170008177

Frequently Asked Questions

What is the IUPAC name of 2-(7-naphthalen-2-yl-6,7-dihydrodibenzofuran-3-yl)-4,6-diphenylpyrimidine?
The IUPAC name of 2-(7-naphthalen-2-yl-6,7-dihydrodibenzofuran-3-yl)-4,6-diphenylpyrimidine (CID 167403198) is 2-(7-naphthalen-2-yl-6,7-dihydrodibenzofuran-3-yl)-4,6-diphenylpyrimidine.
What is the SMILES notation for 2-(7-naphthalen-2-yl-6,7-dihydrodibenzofuran-3-yl)-4,6-diphenylpyrimidine?
The canonical SMILES for 2-(7-naphthalen-2-yl-6,7-dihydrodibenzofuran-3-yl)-4,6-diphenylpyrimidine is C1=CC(c2ccc3ccccc3c2)Cc2oc3cc(-c4nc(-c5ccccc5)cc(-c5ccccc5)n4)ccc3c21.
What is the InChIKey of 2-(7-naphthalen-2-yl-6,7-dihydrodibenzofuran-3-yl)-4,6-diphenylpyrimidine?
The InChIKey is VXMYFAIVDWVGIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H26N2O/c1-3-10-26(11-4-1)34-24-35(27-12-5-2-6-13-27)40-38(39-34)31-18-20-33-32-19-17-30(22-36(32)41-37(33)23-31)29-16-15-25-9-7-8-14-28(25)21-29/h1-21,23-24,30H,22H2.
What are the key properties of 2-(7-naphthalen-2-yl-6,7-dihydrodibenzofuran-3-yl)-4,6-diphenylpyrimidine?
2-(7-naphthalen-2-yl-6,7-dihydrodibenzofuran-3-yl)-4,6-diphenylpyrimidine has a molecular weight of 526.64 g/mol, XLogP of 9.73, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7-naphthalen-2-yl-6,7-dihydrodibenzofuran-3-yl)-4,6-diphenylpyrimidine is sourced from PubChem (CID 167403198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).