2,4-diphenyl-6-[3-(5-phenylnaphtho[1,2-b][1]benzofuran-10-yl)phenyl]pyrimidine

C44H28N2O — CID 164834780

IUPAC2,4-diphenyl-6-[3-(5-phenylnaphtho[1,2-b][1]benzofuran-10-yl)phenyl]pyrimidine
SMILESc1ccc(-c2cc(-c3cccc(-c4cccc5c4oc4c6ccccc6c(-c6ccccc6)cc54)c3)nc(-c3ccccc3)n2)cc1
InChIInChI=1S/C44H28N2O/c1-4-14-29(15-5-1)38-27-39-37-25-13-24-34(42(37)47-43(39)36-23-11-10-22-35(36)38)32-20-12-21-33(26-32)41-28-40(30-16-6-2-7-17-30)45-44(46-41)31-18-8-3-9-19-31/h1-28H
InChIKeyHSRDHASOPXTEIX-UHFFFAOYSA-N
MW600.72 g/mol
LogP11.86
Rot. Bonds5

About 2,4-diphenyl-6-[3-(5-phenylnaphtho[1,2-b][1]benzofuran-10-yl)phenyl]pyrimidine

2,4-diphenyl-6-[3-(5-phenylnaphtho[1,2-b][1]benzofuran-10-yl)phenyl]pyrimidine (PubChem CID 164834780) has the molecular formula C44H28N2O and a molecular weight of 600.72 g/mol. Its IUPAC name is 2,4-diphenyl-6-[3-(5-phenylnaphtho[1,2-b][1]benzofuran-10-yl)phenyl]pyrimidine.

Molecular Properties

Compound Name2,4-diphenyl-6-[3-(5-phenylnaphtho[1,2-b][1]benzofuran-10-yl)phenyl]pyrimidine
PubChem CID164834780
Molecular FormulaC44H28N2O
Molecular Weight600.72 g/mol
Exact Mass600.22
IUPAC Name2,4-diphenyl-6-[3-(5-phenylnaphtho[1,2-b][1]benzofuran-10-yl)phenyl]pyrimidine
SMILESc1ccc(-c2cc(-c3cccc(-c4cccc5c4oc4c6ccccc6c(-c6ccccc6)cc54)c3)nc(-c3ccccc3)n2)cc1
InChIInChI=1S/C44H28N2O/c1-4-14-29(15-5-1)38-27-39-37-25-13-24-34(42(37)47-43(39)36-23-11-10-22-35(36)38)32-20-12-21-33(26-32)41-28-40(30-16-6-2-7-17-30)45-44(46-41)31-18-8-3-9-19-31/h1-28H
InChIKeyHSRDHASOPXTEIX-UHFFFAOYSA-N
XLogP11.86
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500600.72
LogP ≤ 511.86
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-10-yl)phenyl]-1,3,5-triazine
CID 164835357
4-[3-[6-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]dibenzofuran-4-yl]phenyl]-2-methyl-6-phenylpyrimidine
CID 123394368
2,4-diphenyl-6-[5-(3-phenylphenyl)naphtho[1,2-b][1]benzofuran-10-yl]-1,3,5-triazine
CID 176818567
2-[3-[18-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]-3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,14(19),15,17-nonaen-5-yl]phenyl]-4,6-diphenylpyrimidine
CID 59147414
2,4-diphenyl-6-[4-[4-(10-phenylnaphtho[1,2-b][1]benzofuran-5-yl)phenyl]phenyl]-1,3,5-triazine
CID 164834775
2-[3-[3-[2,6-bis(4-phenylphenyl)pyrimidin-4-yl]phenyl]phenyl]-4-phenyl-6-(6-phenyldibenzofuran-4-yl)-1,3,5-triazine
CID 154613908
4-[3-(3-naphtho[1,2-b][1]benzofuran-10-ylphenyl)phenyl]-2-phenyl-6-(4-phenylphenyl)pyrimidine
CID 142294020
2-phenyl-4,6-bis[3-(6-phenyldibenzofuran-4-yl)phenyl]-1,3,5-triazine
CID 139549183
2,4-diphenyl-6-[3-(5-phenylnaphtho[1,2-b][1]benzofuran-9-yl)phenyl]pyrimidine
CID 164835302
4-(3-phenanthro[1,2-b][1]benzofuran-10-yl-5-phenylphenyl)-2,6-diphenylpyrimidine
CID 171583610
2-phenyl-4-[4-(9-phenylnaphtho[1,2-b][1]benzofuran-5-yl)phenyl]-6-(3-phenylphenyl)pyrimidine
CID 164834762
2-(10-phenylnaphtho[1,2-b][1]benzofuran-5-yl)-4,6-bis(4-phenylphenyl)-1,3,5-triazine
CID 176817768

Frequently Asked Questions

What is the IUPAC name of 2,4-diphenyl-6-[3-(5-phenylnaphtho[1,2-b][1]benzofuran-10-yl)phenyl]pyrimidine?
The IUPAC name of 2,4-diphenyl-6-[3-(5-phenylnaphtho[1,2-b][1]benzofuran-10-yl)phenyl]pyrimidine (CID 164834780) is 2,4-diphenyl-6-[3-(5-phenylnaphtho[1,2-b][1]benzofuran-10-yl)phenyl]pyrimidine.
What is the SMILES notation for 2,4-diphenyl-6-[3-(5-phenylnaphtho[1,2-b][1]benzofuran-10-yl)phenyl]pyrimidine?
The canonical SMILES for 2,4-diphenyl-6-[3-(5-phenylnaphtho[1,2-b][1]benzofuran-10-yl)phenyl]pyrimidine is c1ccc(-c2cc(-c3cccc(-c4cccc5c4oc4c6ccccc6c(-c6ccccc6)cc54)c3)nc(-c3ccccc3)n2)cc1.
What is the InChIKey of 2,4-diphenyl-6-[3-(5-phenylnaphtho[1,2-b][1]benzofuran-10-yl)phenyl]pyrimidine?
The InChIKey is HSRDHASOPXTEIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H28N2O/c1-4-14-29(15-5-1)38-27-39-37-25-13-24-34(42(37)47-43(39)36-23-11-10-22-35(36)38)32-20-12-21-33(26-32)41-28-40(30-16-6-2-7-17-30)45-44(46-41)31-18-8-3-9-19-31/h1-28H.
What are the key properties of 2,4-diphenyl-6-[3-(5-phenylnaphtho[1,2-b][1]benzofuran-10-yl)phenyl]pyrimidine?
2,4-diphenyl-6-[3-(5-phenylnaphtho[1,2-b][1]benzofuran-10-yl)phenyl]pyrimidine has a molecular weight of 600.72 g/mol, XLogP of 11.86, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-diphenyl-6-[3-(5-phenylnaphtho[1,2-b][1]benzofuran-10-yl)phenyl]pyrimidine is sourced from PubChem (CID 164834780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).