2-phenyl-4-[4-(9-phenylnaphtho[1,2-b][1]benzofuran-5-yl)phenyl]-6-(3-phenylphenyl)pyrimidine

C50H32N2O — CID 164834762

IUPAC2-phenyl-4-[4-(9-phenylnaphtho[1,2-b][1]benzofuran-5-yl)phenyl]-6-(3-phenylphenyl)pyrimidine
SMILESc1ccc(-c2cccc(-c3cc(-c4ccc(-c5cc6c7ccc(-c8ccccc8)cc7oc6c6ccccc56)cc4)nc(-c4ccccc4)n3)c2)cc1
InChIInChI=1S/C50H32N2O/c1-4-13-33(14-5-1)38-19-12-20-40(29-38)47-32-46(51-50(52-47)37-17-8-3-9-18-37)36-25-23-35(24-26-36)44-31-45-42-28-27-39(34-15-6-2-7-16-34)30-48(42)53-49(45)43-22-11-10-21-41(43)44/h1-32H
InChIKeyLDVHKACJHBURRG-UHFFFAOYSA-N
MW676.82 g/mol
LogP13.53
Rot. Bonds6

About 2-phenyl-4-[4-(9-phenylnaphtho[1,2-b][1]benzofuran-5-yl)phenyl]-6-(3-phenylphenyl)pyrimidine

2-phenyl-4-[4-(9-phenylnaphtho[1,2-b][1]benzofuran-5-yl)phenyl]-6-(3-phenylphenyl)pyrimidine (PubChem CID 164834762) has the molecular formula C50H32N2O and a molecular weight of 676.82 g/mol. Its IUPAC name is 2-phenyl-4-[4-(9-phenylnaphtho[1,2-b][1]benzofuran-5-yl)phenyl]-6-(3-phenylphenyl)pyrimidine.

Molecular Properties

Compound Name2-phenyl-4-[4-(9-phenylnaphtho[1,2-b][1]benzofuran-5-yl)phenyl]-6-(3-phenylphenyl)pyrimidine
PubChem CID164834762
Molecular FormulaC50H32N2O
Molecular Weight676.82 g/mol
Exact Mass676.25
IUPAC Name2-phenyl-4-[4-(9-phenylnaphtho[1,2-b][1]benzofuran-5-yl)phenyl]-6-(3-phenylphenyl)pyrimidine
SMILESc1ccc(-c2cccc(-c3cc(-c4ccc(-c5cc6c7ccc(-c8ccccc8)cc7oc6c6ccccc56)cc4)nc(-c4ccccc4)n3)c2)cc1
InChIInChI=1S/C50H32N2O/c1-4-13-33(14-5-1)38-19-12-20-40(29-38)47-32-46(51-50(52-47)37-17-8-3-9-18-37)36-25-23-35(24-26-36)44-31-45-42-28-27-39(34-15-6-2-7-16-34)30-48(42)53-49(45)43-22-11-10-21-41(43)44/h1-32H
InChIKeyLDVHKACJHBURRG-UHFFFAOYSA-N
XLogP13.53
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500676.82
LogP ≤ 513.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2,4-diphenyl-6-[3-(5-phenylnaphtho[1,2-b][1]benzofuran-9-yl)phenyl]pyrimidine
CID 164835302
2,4-diphenyl-6-[3-[3-(5-triphenylen-2-ylnaphtho[1,2-b][1]benzofuran-9-yl)phenyl]phenyl]pyrimidine
CID 164835343
4-[5-(4-naphthalen-2-ylphenyl)naphtho[1,2-b][1]benzofuran-9-yl]-2,6-diphenylpyrimidine
CID 169048858
2-phenyl-4-(4-phenylphenyl)-6-[3-[9-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-5-yl]phenyl]-1,3,5-triazine
CID 176817791
2,4-diphenyl-6-[9-(3-phenylphenyl)naphtho[1,2-b][1]benzofuran-5-yl]-1,3,5-triazine
CID 167143892
4-[9-(2,6-diphenylpyrimidin-4-yl)naphtho[1,2-b][1]benzofuran-5-yl]-N,N-diphenylaniline
CID 166974572
2,4-diphenyl-6-[4-(8-phenylnaphtho[1,2-b][1]benzofuran-5-yl)phenyl]pyrimidine
CID 164834906
4-dibenzofuran-3-yl-2-phenyl-6-[4-(7-phenylnaphtho[1,2-b][1]benzofuran-5-yl)phenyl]pyrimidine
CID 176818663
4-dibenzofuran-3-yl-6-[4-(4-dibenzofuran-4-ylphenyl)phenyl]-2-phenylpyrimidine
CID 121460851
2-phenyl-4-(3-phenylphenyl)-6-[4-(5-triphenylen-2-ylnaphtho[1,2-b][1]benzofuran-9-yl)phenyl]-1,3,5-triazine
CID 164834752
2-dibenzofuran-4-yl-4-phenyl-6-[4-(5-phenylnaphtho[1,2-b][1]benzofuran-9-yl)phenyl]-1,3,5-triazine
CID 176817867
2-[3-[3-[2,6-bis(4-phenylphenyl)pyrimidin-4-yl]phenyl]phenyl]-4,6-dinaphthalen-2-yl-1,3,5-triazine;2-[3-[3-(6-naphtho[1,2-b][1]benzofuran-9-yl-2-phenylpyrimidin-4-yl)phenyl]phenyl]-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine;2-[3-[3-(6-naphtho[1,2-b][1]benzofuran-9-yl-2-phenylpyrimidin-4-yl)phenyl]phenyl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
CID 162042107

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-4-[4-(9-phenylnaphtho[1,2-b][1]benzofuran-5-yl)phenyl]-6-(3-phenylphenyl)pyrimidine?
The IUPAC name of 2-phenyl-4-[4-(9-phenylnaphtho[1,2-b][1]benzofuran-5-yl)phenyl]-6-(3-phenylphenyl)pyrimidine (CID 164834762) is 2-phenyl-4-[4-(9-phenylnaphtho[1,2-b][1]benzofuran-5-yl)phenyl]-6-(3-phenylphenyl)pyrimidine.
What is the SMILES notation for 2-phenyl-4-[4-(9-phenylnaphtho[1,2-b][1]benzofuran-5-yl)phenyl]-6-(3-phenylphenyl)pyrimidine?
The canonical SMILES for 2-phenyl-4-[4-(9-phenylnaphtho[1,2-b][1]benzofuran-5-yl)phenyl]-6-(3-phenylphenyl)pyrimidine is c1ccc(-c2cccc(-c3cc(-c4ccc(-c5cc6c7ccc(-c8ccccc8)cc7oc6c6ccccc56)cc4)nc(-c4ccccc4)n3)c2)cc1.
What is the InChIKey of 2-phenyl-4-[4-(9-phenylnaphtho[1,2-b][1]benzofuran-5-yl)phenyl]-6-(3-phenylphenyl)pyrimidine?
The InChIKey is LDVHKACJHBURRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H32N2O/c1-4-13-33(14-5-1)38-19-12-20-40(29-38)47-32-46(51-50(52-47)37-17-8-3-9-18-37)36-25-23-35(24-26-36)44-31-45-42-28-27-39(34-15-6-2-7-16-34)30-48(42)53-49(45)43-22-11-10-21-41(43)44/h1-32H.
What are the key properties of 2-phenyl-4-[4-(9-phenylnaphtho[1,2-b][1]benzofuran-5-yl)phenyl]-6-(3-phenylphenyl)pyrimidine?
2-phenyl-4-[4-(9-phenylnaphtho[1,2-b][1]benzofuran-5-yl)phenyl]-6-(3-phenylphenyl)pyrimidine has a molecular weight of 676.82 g/mol, XLogP of 13.53, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-4-[4-(9-phenylnaphtho[1,2-b][1]benzofuran-5-yl)phenyl]-6-(3-phenylphenyl)pyrimidine is sourced from PubChem (CID 164834762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).