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

C42H26N2O — CID 167143910

IUPAC4-naphthalen-2-yl-2-phenyl-6-(9-phenylnaphtho[2,1-b][1]benzofuran-5-yl)pyrimidine
SMILESc1ccc(-c2ccc3c(c2)oc2cc(-c4cc(-c5ccc6ccccc6c5)nc(-c5ccccc5)n4)c4ccccc4c23)cc1
InChIInChI=1S/C42H26N2O/c1-3-11-27(12-4-1)31-21-22-35-39(24-31)45-40-25-36(33-17-9-10-18-34(33)41(35)40)38-26-37(43-42(44-38)29-14-5-2-6-15-29)32-20-19-28-13-7-8-16-30(28)23-32/h1-26H
InChIKeyJRKKSHSRCQBOLD-UHFFFAOYSA-N
MW574.68 g/mol
LogP11.35
Rot. Bonds4

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

4-naphthalen-2-yl-2-phenyl-6-(9-phenylnaphtho[2,1-b][1]benzofuran-5-yl)pyrimidine (PubChem CID 167143910) has the molecular formula C42H26N2O and a molecular weight of 574.68 g/mol. Its IUPAC name is 4-naphthalen-2-yl-2-phenyl-6-(9-phenylnaphtho[2,1-b][1]benzofuran-5-yl)pyrimidine.

Molecular Properties

Compound Name4-naphthalen-2-yl-2-phenyl-6-(9-phenylnaphtho[2,1-b][1]benzofuran-5-yl)pyrimidine
PubChem CID167143910
Molecular FormulaC42H26N2O
Molecular Weight574.68 g/mol
Exact Mass574.20
IUPAC Name4-naphthalen-2-yl-2-phenyl-6-(9-phenylnaphtho[2,1-b][1]benzofuran-5-yl)pyrimidine
SMILESc1ccc(-c2ccc3c(c2)oc2cc(-c4cc(-c5ccc6ccccc6c5)nc(-c5ccccc5)n4)c4ccccc4c23)cc1
InChIInChI=1S/C42H26N2O/c1-3-11-27(12-4-1)31-21-22-35-39(24-31)45-40-25-36(33-17-9-10-18-34(33)41(35)40)38-26-37(43-42(44-38)29-14-5-2-6-15-29)32-20-19-28-13-7-8-16-30(28)23-32/h1-26H
InChIKeyJRKKSHSRCQBOLD-UHFFFAOYSA-N
XLogP11.35
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500574.68
LogP ≤ 511.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-dibenzofuran-3-yl-4-naphthalen-2-yl-6-(9-phenylnaphtho[2,1-b][1]benzofuran-5-yl)-1,3,5-triazine
CID 167402174
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-dibenzofuran-3-yl-4-(3-naphthalen-2-ylphenyl)-6-(4-phenylphenyl)pyrimidine
CID 130465791
4-(3-dibenzofuran-3-yl-5-naphthalen-2-ylphenyl)-6-naphthalen-2-yl-2-phenylpyrimidine
CID 171583452
4-(3-dibenzofuran-3-yl-5-phenylphenyl)-2-(4-naphthalen-2-ylphenyl)-6-phenylpyrimidine
CID 171583004
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
2-phenyl-4-(6-phenylnaphthalen-2-yl)-6-(5-phenylnaphtho[2,1-b][1]benzofuran-8-yl)pyrimidine
CID 167402049
4-naphthalen-2-yl-2-phenyl-6-(6-phenylnaphtho[1,2-b][1]benzofuran-9-yl)pyrimidine
CID 169048803
2-dibenzofuran-3-yl-4-[4-(4-naphthalen-2-ylphenyl)phenyl]-6-phenyl-1,3,5-triazine
CID 139571676
2-[6-(7-naphthalen-2-yldibenzofuran-1-yl)naphthalen-2-yl]-4-(4-naphthalen-2-ylphenyl)-6-phenyl-1,3,5-triazine
CID 166742881
4-[5-(4-naphthalen-2-ylphenyl)naphtho[1,2-b][1]benzofuran-9-yl]-2,6-diphenylpyrimidine
CID 169048858

Frequently Asked Questions

What is the IUPAC name of 4-naphthalen-2-yl-2-phenyl-6-(9-phenylnaphtho[2,1-b][1]benzofuran-5-yl)pyrimidine?
The IUPAC name of 4-naphthalen-2-yl-2-phenyl-6-(9-phenylnaphtho[2,1-b][1]benzofuran-5-yl)pyrimidine (CID 167143910) is 4-naphthalen-2-yl-2-phenyl-6-(9-phenylnaphtho[2,1-b][1]benzofuran-5-yl)pyrimidine.
What is the SMILES notation for 4-naphthalen-2-yl-2-phenyl-6-(9-phenylnaphtho[2,1-b][1]benzofuran-5-yl)pyrimidine?
The canonical SMILES for 4-naphthalen-2-yl-2-phenyl-6-(9-phenylnaphtho[2,1-b][1]benzofuran-5-yl)pyrimidine is c1ccc(-c2ccc3c(c2)oc2cc(-c4cc(-c5ccc6ccccc6c5)nc(-c5ccccc5)n4)c4ccccc4c23)cc1.
What is the InChIKey of 4-naphthalen-2-yl-2-phenyl-6-(9-phenylnaphtho[2,1-b][1]benzofuran-5-yl)pyrimidine?
The InChIKey is JRKKSHSRCQBOLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H26N2O/c1-3-11-27(12-4-1)31-21-22-35-39(24-31)45-40-25-36(33-17-9-10-18-34(33)41(35)40)38-26-37(43-42(44-38)29-14-5-2-6-15-29)32-20-19-28-13-7-8-16-30(28)23-32/h1-26H.
What are the key properties of 4-naphthalen-2-yl-2-phenyl-6-(9-phenylnaphtho[2,1-b][1]benzofuran-5-yl)pyrimidine?
4-naphthalen-2-yl-2-phenyl-6-(9-phenylnaphtho[2,1-b][1]benzofuran-5-yl)pyrimidine has a molecular weight of 574.68 g/mol, XLogP of 11.35, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-naphthalen-2-yl-2-phenyl-6-(9-phenylnaphtho[2,1-b][1]benzofuran-5-yl)pyrimidine is sourced from PubChem (CID 167143910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).