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

C50H32N2O — CID 167424178

IUPAC4-phenyl-6-(4-phenylphenyl)-2-[10-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-8-yl]pyrimidine
SMILESc1ccc(-c2ccc(-c3cc(-c4ccccc4)nc(-c4cc(-c5ccc(-c6ccccc6)cc5)c5oc6c7ccccc7ccc6c5c4)n3)cc2)cc1
InChIInChI=1S/C50H32N2O/c1-4-12-33(13-5-1)35-20-24-38(25-21-35)44-30-41(31-45-43-29-28-37-16-10-11-19-42(37)48(43)53-49(44)45)50-51-46(39-17-8-3-9-18-39)32-47(52-50)40-26-22-36(23-27-40)34-14-6-2-7-15-34/h1-32H
InChIKeyPPWCGAANTHYVMD-UHFFFAOYSA-N
MW676.82 g/mol
LogP13.53
Rot. Bonds6

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

4-phenyl-6-(4-phenylphenyl)-2-[10-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-8-yl]pyrimidine (PubChem CID 167424178) has the molecular formula C50H32N2O and a molecular weight of 676.82 g/mol. Its IUPAC name is 4-phenyl-6-(4-phenylphenyl)-2-[10-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-8-yl]pyrimidine.

Molecular Properties

Compound Name4-phenyl-6-(4-phenylphenyl)-2-[10-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-8-yl]pyrimidine
PubChem CID167424178
Molecular FormulaC50H32N2O
Molecular Weight676.82 g/mol
Exact Mass676.25
IUPAC Name4-phenyl-6-(4-phenylphenyl)-2-[10-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-8-yl]pyrimidine
SMILESc1ccc(-c2ccc(-c3cc(-c4ccccc4)nc(-c4cc(-c5ccc(-c6ccccc6)cc5)c5oc6c7ccccc7ccc6c5c4)n3)cc2)cc1
InChIInChI=1S/C50H32N2O/c1-4-12-33(13-5-1)35-20-24-38(25-21-35)44-30-41(31-45-43-29-28-37-16-10-11-19-42(37)48(43)53-49(44)45)50-51-46(39-17-8-3-9-18-39)32-47(52-50)40-26-22-36(23-27-40)34-14-6-2-7-15-34/h1-32H
InChIKeyPPWCGAANTHYVMD-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-[8-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]naphtho[1,2-b][1]benzofuran-10-yl]-1,3,5-triazine
CID 171757132
4-[3-(3-naphtho[1,2-b][1]benzofuran-10-ylphenyl)phenyl]-2-phenyl-6-(4-phenylphenyl)pyrimidine
CID 142294020
2-(3-naphtho[1,2-b][1]benzofuran-9-yl-5-phenylphenyl)-4-phenyl-6-(4-phenylphenyl)pyrimidine
CID 168730388
4-[3-(3-naphtho[1,2-b][1]benzofuran-8-ylphenyl)phenyl]-2-phenyl-6-(4-phenylphenyl)pyrimidine
CID 142293803
4-(3-phenanthro[1,2-b][1]benzofuran-10-yl-5-phenylphenyl)-2,6-diphenylpyrimidine
CID 171583610
2,4-diphenyl-6-[4-[8-phenyl-6-(4-phenylphenyl)dibenzofuran-4-yl]phenyl]-1,3,5-triazine
CID 164838394
2-[3-(6,8-diphenyldibenzofuran-4-yl)phenyl]-4-(3,5-diphenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 164838374
2,4-diphenyl-6-[4-(8-phenylnaphtho[1,2-b][1]benzofuran-5-yl)phenyl]pyrimidine
CID 164834906
2,4-diphenyl-6-[4-[2-[4-[2-phenyl-6-(3-phenylphenyl)pyrimidin-4-yl]phenyl]dibenzofuran-4-yl]phenyl]pyrimidine
CID 153289566
4-[5-(4-naphthalen-2-ylphenyl)naphtho[1,2-b][1]benzofuran-9-yl]-2,6-diphenylpyrimidine
CID 169048858
2-[3-[3-(6-naphtho[1,2-b][1]benzofuran-9-yl-2-phenylpyrimidin-4-yl)phenyl]phenyl]-4-phenyl-6-(6-phenyldibenzofuran-4-yl)-1,3,5-triazine
CID 154613855
8,10-bis(6-phenylpyren-1-yl)naphtho[1,2-b][1]benzofuran
CID 170940136

Frequently Asked Questions

What is the IUPAC name of 4-phenyl-6-(4-phenylphenyl)-2-[10-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-8-yl]pyrimidine?
The IUPAC name of 4-phenyl-6-(4-phenylphenyl)-2-[10-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-8-yl]pyrimidine (CID 167424178) is 4-phenyl-6-(4-phenylphenyl)-2-[10-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-8-yl]pyrimidine.
What is the SMILES notation for 4-phenyl-6-(4-phenylphenyl)-2-[10-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-8-yl]pyrimidine?
The canonical SMILES for 4-phenyl-6-(4-phenylphenyl)-2-[10-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-8-yl]pyrimidine is c1ccc(-c2ccc(-c3cc(-c4ccccc4)nc(-c4cc(-c5ccc(-c6ccccc6)cc5)c5oc6c7ccccc7ccc6c5c4)n3)cc2)cc1.
What is the InChIKey of 4-phenyl-6-(4-phenylphenyl)-2-[10-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-8-yl]pyrimidine?
The InChIKey is PPWCGAANTHYVMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H32N2O/c1-4-12-33(13-5-1)35-20-24-38(25-21-35)44-30-41(31-45-43-29-28-37-16-10-11-19-42(37)48(43)53-49(44)45)50-51-46(39-17-8-3-9-18-39)32-47(52-50)40-26-22-36(23-27-40)34-14-6-2-7-15-34/h1-32H.
What are the key properties of 4-phenyl-6-(4-phenylphenyl)-2-[10-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-8-yl]pyrimidine?
4-phenyl-6-(4-phenylphenyl)-2-[10-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-8-yl]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 4-phenyl-6-(4-phenylphenyl)-2-[10-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-8-yl]pyrimidine is sourced from PubChem (CID 167424178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).