2-(4-naphtho[2,3-b][1]benzofuran-2-ylnaphthalen-1-yl)-4-phenyl-6-(4-phenylphenyl)pyrimidine

C48H30N2O — CID 174246012

IUPAC2-(4-naphtho[2,3-b][1]benzofuran-2-ylnaphthalen-1-yl)-4-phenyl-6-(4-phenylphenyl)pyrimidine
SMILESc1ccc(-c2ccc(-c3cc(-c4ccccc4)nc(-c4ccc(-c5ccc6oc7cc8ccccc8cc7c6c5)c5ccccc45)n3)cc2)cc1
InChIInChI=1S/C48H30N2O/c1-3-11-31(12-4-1)32-19-21-34(22-20-32)45-30-44(33-13-5-2-6-14-33)49-48(50-45)41-25-24-38(39-17-9-10-18-40(39)41)37-23-26-46-42(28-37)43-27-35-15-7-8-16-36(35)29-47(43)51-46/h1-30H
InChIKeyKPKYDLQWDGOBKF-UHFFFAOYSA-N
MW650.78 g/mol
LogP13.02
Rot. Bonds5

About 2-(4-naphtho[2,3-b][1]benzofuran-2-ylnaphthalen-1-yl)-4-phenyl-6-(4-phenylphenyl)pyrimidine

2-(4-naphtho[2,3-b][1]benzofuran-2-ylnaphthalen-1-yl)-4-phenyl-6-(4-phenylphenyl)pyrimidine (PubChem CID 174246012) has the molecular formula C48H30N2O and a molecular weight of 650.78 g/mol. Its IUPAC name is 2-(4-naphtho[2,3-b][1]benzofuran-2-ylnaphthalen-1-yl)-4-phenyl-6-(4-phenylphenyl)pyrimidine.

Molecular Properties

Compound Name2-(4-naphtho[2,3-b][1]benzofuran-2-ylnaphthalen-1-yl)-4-phenyl-6-(4-phenylphenyl)pyrimidine
PubChem CID174246012
Molecular FormulaC48H30N2O
Molecular Weight650.78 g/mol
Exact Mass650.24
IUPAC Name2-(4-naphtho[2,3-b][1]benzofuran-2-ylnaphthalen-1-yl)-4-phenyl-6-(4-phenylphenyl)pyrimidine
SMILESc1ccc(-c2ccc(-c3cc(-c4ccccc4)nc(-c4ccc(-c5ccc6oc7cc8ccccc8cc7c6c5)c5ccccc45)n3)cc2)cc1
InChIInChI=1S/C48H30N2O/c1-3-11-31(12-4-1)32-19-21-34(22-20-32)45-30-44(33-13-5-2-6-14-33)49-48(50-45)41-25-24-38(39-17-9-10-18-40(39)41)37-23-26-46-42(28-37)43-27-35-15-7-8-16-36(35)29-47(43)51-46/h1-30H
InChIKeyKPKYDLQWDGOBKF-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-naphthalen-1-yl-4-(5-naphtho[2,3-b][1]benzofuran-2-ylnaphthalen-1-yl)-6-phenyl-1,3,5-triazine
CID 146663712
2-(10-naphtho[2,3-b][1]benzofuran-2-ylanthracen-9-yl)-4,6-diphenylpyrimidine
CID 118503439
2-naphtho[2,3-b][1]benzofuran-2-yl-4-(4-phenyldibenzofuran-1-yl)-6-(4-phenylnaphthalen-1-yl)-1,3,5-triazine
CID 170016984
2-(4-dibenzofuran-2-ylnaphthalen-1-yl)-4-phenyl-6-(1-phenyl-7H-benzo[7]annulen-4-yl)pyrimidine
CID 176632239
4-[3,5-bis(naphtho[2,3-b][1]benzofuran-2-yl)phenyl]-6-phenyl-2-(2-pyridin-3-ylphenyl)pyrimidine
CID 130263153
2-[2,5-di(dibenzofuran-2-yl)phenyl]-4-naphthalen-1-yl-6-phenylpyrimidine
CID 123288806
4-[3-dibenzofuran-2-yl-5-(3-naphthalen-1-ylphenyl)phenyl]-2-phenyl-6-(4-phenylphenyl)pyrimidine
CID 171583329
2-dibenzofuran-2-yl-4,6-bis(3,5-diphenylphenyl)pyrimidine
CID 153316090
2-(4-naphthalen-1-ylphenyl)-4-naphtho[2,3-b][1]benzofuran-2-yl-6-phenyl-1,3,5-triazine
CID 163416881
4,6-diphenyl-2-[4-(4-phenylnaphthalen-1-yl)naphtho[2,3-b][1]benzofuran-2-yl]pyrimidine
CID 167424212
2-(4-dibenzofuran-2-ylnaphthalen-1-yl)-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine;2-(4-dibenzofuran-2-ylnaphthalen-1-yl)-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine;2-(4-dibenzofuran-3-ylnaphthalen-1-yl)-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine
CID 165057936
4-[3-[2,6-bis(4-phenylphenyl)pyrimidin-4-yl]-5-dibenzofuran-2-ylphenyl]-2,6-bis(4-phenylphenyl)pyrimidine
CID 153316082

Frequently Asked Questions

What is the IUPAC name of 2-(4-naphtho[2,3-b][1]benzofuran-2-ylnaphthalen-1-yl)-4-phenyl-6-(4-phenylphenyl)pyrimidine?
The IUPAC name of 2-(4-naphtho[2,3-b][1]benzofuran-2-ylnaphthalen-1-yl)-4-phenyl-6-(4-phenylphenyl)pyrimidine (CID 174246012) is 2-(4-naphtho[2,3-b][1]benzofuran-2-ylnaphthalen-1-yl)-4-phenyl-6-(4-phenylphenyl)pyrimidine.
What is the SMILES notation for 2-(4-naphtho[2,3-b][1]benzofuran-2-ylnaphthalen-1-yl)-4-phenyl-6-(4-phenylphenyl)pyrimidine?
The canonical SMILES for 2-(4-naphtho[2,3-b][1]benzofuran-2-ylnaphthalen-1-yl)-4-phenyl-6-(4-phenylphenyl)pyrimidine is c1ccc(-c2ccc(-c3cc(-c4ccccc4)nc(-c4ccc(-c5ccc6oc7cc8ccccc8cc7c6c5)c5ccccc45)n3)cc2)cc1.
What is the InChIKey of 2-(4-naphtho[2,3-b][1]benzofuran-2-ylnaphthalen-1-yl)-4-phenyl-6-(4-phenylphenyl)pyrimidine?
The InChIKey is KPKYDLQWDGOBKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H30N2O/c1-3-11-31(12-4-1)32-19-21-34(22-20-32)45-30-44(33-13-5-2-6-14-33)49-48(50-45)41-25-24-38(39-17-9-10-18-40(39)41)37-23-26-46-42(28-37)43-27-35-15-7-8-16-36(35)29-47(43)51-46/h1-30H.
What are the key properties of 2-(4-naphtho[2,3-b][1]benzofuran-2-ylnaphthalen-1-yl)-4-phenyl-6-(4-phenylphenyl)pyrimidine?
2-(4-naphtho[2,3-b][1]benzofuran-2-ylnaphthalen-1-yl)-4-phenyl-6-(4-phenylphenyl)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 2-(4-naphtho[2,3-b][1]benzofuran-2-ylnaphthalen-1-yl)-4-phenyl-6-(4-phenylphenyl)pyrimidine is sourced from PubChem (CID 174246012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).