4,6-diphenyl-2-[10-(4-phenylnaphthalen-1-yl)naphtho[2,1-b][1]benzofuran-8-yl]pyrimidine

C48H30N2O — CID 167402239

IUPAC4,6-diphenyl-2-[10-(4-phenylnaphthalen-1-yl)naphtho[2,1-b][1]benzofuran-8-yl]pyrimidine
SMILESc1ccc(-c2cc(-c3ccccc3)nc(-c3cc(-c4ccc(-c5ccccc5)c5ccccc45)cc4c3oc3ccc5ccccc5c34)n2)cc1
InChIInChI=1S/C48H30N2O/c1-4-14-31(15-5-1)36-25-26-37(40-23-13-12-22-39(36)40)35-28-41-46-38-21-11-10-16-32(38)24-27-45(46)51-47(41)42(29-35)48-49-43(33-17-6-2-7-18-33)30-44(50-48)34-19-8-3-9-20-34/h1-30H
InChIKeyWXTOHDFLNBMBGC-UHFFFAOYSA-N
MW650.78 g/mol
LogP13.02
Rot. Bonds5

About 4,6-diphenyl-2-[10-(4-phenylnaphthalen-1-yl)naphtho[2,1-b][1]benzofuran-8-yl]pyrimidine

4,6-diphenyl-2-[10-(4-phenylnaphthalen-1-yl)naphtho[2,1-b][1]benzofuran-8-yl]pyrimidine (PubChem CID 167402239) has the molecular formula C48H30N2O and a molecular weight of 650.78 g/mol. Its IUPAC name is 4,6-diphenyl-2-[10-(4-phenylnaphthalen-1-yl)naphtho[2,1-b][1]benzofuran-8-yl]pyrimidine.

Molecular Properties

Compound Name4,6-diphenyl-2-[10-(4-phenylnaphthalen-1-yl)naphtho[2,1-b][1]benzofuran-8-yl]pyrimidine
PubChem CID167402239
Molecular FormulaC48H30N2O
Molecular Weight650.78 g/mol
Exact Mass650.24
IUPAC Name4,6-diphenyl-2-[10-(4-phenylnaphthalen-1-yl)naphtho[2,1-b][1]benzofuran-8-yl]pyrimidine
SMILESc1ccc(-c2cc(-c3ccccc3)nc(-c3cc(-c4ccc(-c5ccccc5)c5ccccc45)cc4c3oc3ccc5ccccc5c34)n2)cc1
InChIInChI=1S/C48H30N2O/c1-4-14-31(15-5-1)36-25-26-37(40-23-13-12-22-39(36)40)35-28-41-46-38-21-11-10-16-32(38)24-27-45(46)51-47(41)42(29-35)48-49-43(33-17-6-2-7-18-33)30-44(50-48)34-19-8-3-9-20-34/h1-30H
InChIKeyWXTOHDFLNBMBGC-UHFFFAOYSA-N
XLogP13.02
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500650.78
LogP ≤ 513.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[10-(3-naphthalen-1-ylphenyl)naphtho[2,1-b][1]benzofuran-8-yl]-4,6-diphenyl-1,3,5-triazine
CID 167424108
4-(4-phenylphenyl)-2-[10-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-8-yl]quinazoline
CID 166867337
2-[4-(12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-10-yl)phenyl]-4,6-diphenylpyrimidine
CID 126764196
2-dibenzofuran-4-yl-4-[3-[3-(6-naphtho[2,1-b][1]benzofuran-10-yl-2-phenylpyrimidin-4-yl)phenyl]phenyl]-6-phenyl-1,3,5-triazine
CID 154614048
4,6-diphenyl-2-[4-(4-phenylnaphthalen-1-yl)naphtho[2,3-b][1]benzofuran-2-yl]pyrimidine
CID 167424212
4,6-diphenyl-2-[8-[4-(4-phenylphenyl)phenyl]dibenzofuran-4-yl]pyrimidine
CID 166952923
8-phenanthren-1-yl-10-pyren-1-ylnaphtho[2,1-b][1]benzofuran
CID 170940452
2-(6,8-dinaphthalen-1-yldibenzofuran-1-yl)-4,6-diphenylpyrimidine;2-(6,8-dinaphthalen-2-yldibenzofuran-1-yl)-4,6-diphenylpyrimidine;2-[6,8-di(phenanthren-9-yl)dibenzofuran-1-yl]-4,6-diphenylpyrimidine
CID 158678649
4-(3,28-dioxaheptacyclo[15.11.0.02,14.04,13.07,12.018,27.019,24]octacosa-1,4(13),5,7,9,11,14,16,18(27),19,21,23,25-tridecaen-15-yl)-2-phenylpyridine
CID 164802692
4-(12-oxapentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-20-yl)-6-(3-phenylphenyl)-2-[4-[3-phenyl-5-(3-phenylphenyl)phenyl]phenyl]pyrimidine
CID 174304517
2-[3-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]-4-naphtho[2,1-b][1]benzofuran-10-yl-6-phenyl-1,3,5-triazine
CID 154613999
4-phenyl-6-(4-phenylphenyl)-2-[10-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-8-yl]pyrimidine
CID 167424178

Frequently Asked Questions

What is the IUPAC name of 4,6-diphenyl-2-[10-(4-phenylnaphthalen-1-yl)naphtho[2,1-b][1]benzofuran-8-yl]pyrimidine?
The IUPAC name of 4,6-diphenyl-2-[10-(4-phenylnaphthalen-1-yl)naphtho[2,1-b][1]benzofuran-8-yl]pyrimidine (CID 167402239) is 4,6-diphenyl-2-[10-(4-phenylnaphthalen-1-yl)naphtho[2,1-b][1]benzofuran-8-yl]pyrimidine.
What is the SMILES notation for 4,6-diphenyl-2-[10-(4-phenylnaphthalen-1-yl)naphtho[2,1-b][1]benzofuran-8-yl]pyrimidine?
The canonical SMILES for 4,6-diphenyl-2-[10-(4-phenylnaphthalen-1-yl)naphtho[2,1-b][1]benzofuran-8-yl]pyrimidine is c1ccc(-c2cc(-c3ccccc3)nc(-c3cc(-c4ccc(-c5ccccc5)c5ccccc45)cc4c3oc3ccc5ccccc5c34)n2)cc1.
What is the InChIKey of 4,6-diphenyl-2-[10-(4-phenylnaphthalen-1-yl)naphtho[2,1-b][1]benzofuran-8-yl]pyrimidine?
The InChIKey is WXTOHDFLNBMBGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H30N2O/c1-4-14-31(15-5-1)36-25-26-37(40-23-13-12-22-39(36)40)35-28-41-46-38-21-11-10-16-32(38)24-27-45(46)51-47(41)42(29-35)48-49-43(33-17-6-2-7-18-33)30-44(50-48)34-19-8-3-9-20-34/h1-30H.
What are the key properties of 4,6-diphenyl-2-[10-(4-phenylnaphthalen-1-yl)naphtho[2,1-b][1]benzofuran-8-yl]pyrimidine?
4,6-diphenyl-2-[10-(4-phenylnaphthalen-1-yl)naphtho[2,1-b][1]benzofuran-8-yl]pyrimidine has a molecular weight of 650.78 g/mol, XLogP of 13.02, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-diphenyl-2-[10-(4-phenylnaphthalen-1-yl)naphtho[2,1-b][1]benzofuran-8-yl]pyrimidine is sourced from PubChem (CID 167402239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).