5-methyl-4-(6-naphthalen-2-ylnaphtho[2,3-b][1]benzofuran-3-yl)-2,6-diphenylpyrimidine

C43H28N2O — CID 170211834

IUPAC5-methyl-4-(6-naphthalen-2-ylnaphtho[2,3-b][1]benzofuran-3-yl)-2,6-diphenylpyrimidine
SMILESCc1c(-c2ccccc2)nc(-c2ccccc2)nc1-c1ccc2c(c1)oc1c(-c3ccc4ccccc4c3)c3ccccc3cc12
InChIInChI=1S/C43H28N2O/c1-27-40(29-13-4-2-5-14-29)44-43(30-15-6-3-7-16-30)45-41(27)34-22-23-36-37-25-32-18-10-11-19-35(32)39(42(37)46-38(36)26-34)33-21-20-28-12-8-9-17-31(28)24-33/h2-26H,1H3
InChIKeyOMHUYQSEJXEHTM-UHFFFAOYSA-N
MW588.71 g/mol
LogP11.66
Rot. Bonds4

About 5-methyl-4-(6-naphthalen-2-ylnaphtho[2,3-b][1]benzofuran-3-yl)-2,6-diphenylpyrimidine

5-methyl-4-(6-naphthalen-2-ylnaphtho[2,3-b][1]benzofuran-3-yl)-2,6-diphenylpyrimidine (PubChem CID 170211834) has the molecular formula C43H28N2O and a molecular weight of 588.71 g/mol. Its IUPAC name is 5-methyl-4-(6-naphthalen-2-ylnaphtho[2,3-b][1]benzofuran-3-yl)-2,6-diphenylpyrimidine.

Molecular Properties

Compound Name5-methyl-4-(6-naphthalen-2-ylnaphtho[2,3-b][1]benzofuran-3-yl)-2,6-diphenylpyrimidine
PubChem CID170211834
Molecular FormulaC43H28N2O
Molecular Weight588.71 g/mol
Exact Mass588.22
IUPAC Name5-methyl-4-(6-naphthalen-2-ylnaphtho[2,3-b][1]benzofuran-3-yl)-2,6-diphenylpyrimidine
SMILESCc1c(-c2ccccc2)nc(-c2ccccc2)nc1-c1ccc2c(c1)oc1c(-c3ccc4ccccc4c3)c3ccccc3cc12
InChIInChI=1S/C43H28N2O/c1-27-40(29-13-4-2-5-14-29)44-43(30-15-6-3-7-16-30)45-41(27)34-22-23-36-37-25-32-18-10-11-19-35(32)39(42(37)46-38(36)26-34)33-21-20-28-12-8-9-17-31(28)24-33/h2-26H,1H3
InChIKeyOMHUYQSEJXEHTM-UHFFFAOYSA-N
XLogP11.66
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500588.71
LogP ≤ 511.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-(10-naphthalen-2-ylanthracen-9-yl)-6-phenylnaphtho[2,3-b][1]benzofuran
CID 134487576
4-[3-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)naphtho[2,3-b][1]benzofuran-6-yl]-N,N-diphenylaniline
CID 170211894
2-naphthalen-2-yl-4-(1-phenylnaphthalen-2-yl)-6-(6-phenylnaphtho[2,3-b][1]benzofuran-3-yl)-1,3,5-triazine
CID 170211931
2-naphthalen-2-yl-4-(6-phenanthren-2-ylnaphtho[2,3-b][1]benzofuran-2-yl)-6-phenyl-1,3,5-triazine
CID 170213203
2-naphthalen-2-yl-4-(11-naphthalen-2-ylnaphtho[2,3-b][1]benzofuran-3-yl)-6-phenyl-1,3,5-triazine
CID 177130712
2-naphthalen-2-yl-4-phenyl-6-[6-(3-phenylphenyl)naphtho[2,3-b][1]benzofuran-2-yl]-1,3,5-triazine
CID 170211717
2,4-dinaphthalen-2-yl-6-(6-phenanthren-2-ylnaphtho[2,3-b][1]benzofuran-2-yl)-1,3,5-triazine
CID 176755204
4-(6-phenylnaphtho[2,3-b][1]benzofuran-3-yl)-2-(4-phenylphenyl)-[1]benzothiolo[3,2-d]pyrimidine
CID 170213729
6-[7-(10-phenylanthracen-9-yl)dibenzofuran-3-yl]naphtho[2,3-b][1]benzofuran
CID 122425709
6-naphthalen-2-yl-N,N-diphenylnaphtho[2,3-b][1]benzofuran-3-amine
CID 169295404
2-naphthalen-2-yl-4-(9-phenanthren-9-ylnaphtho[2,3-b][1]benzofuran-3-yl)-6-phenyl-1,3,5-triazine
CID 174316229
2-(7-naphthalen-2-yldibenzofuran-3-yl)-4,6-diphenyl-1,3,5-triazine
CID 142491219

Frequently Asked Questions

What is the IUPAC name of 5-methyl-4-(6-naphthalen-2-ylnaphtho[2,3-b][1]benzofuran-3-yl)-2,6-diphenylpyrimidine?
The IUPAC name of 5-methyl-4-(6-naphthalen-2-ylnaphtho[2,3-b][1]benzofuran-3-yl)-2,6-diphenylpyrimidine (CID 170211834) is 5-methyl-4-(6-naphthalen-2-ylnaphtho[2,3-b][1]benzofuran-3-yl)-2,6-diphenylpyrimidine.
What is the SMILES notation for 5-methyl-4-(6-naphthalen-2-ylnaphtho[2,3-b][1]benzofuran-3-yl)-2,6-diphenylpyrimidine?
The canonical SMILES for 5-methyl-4-(6-naphthalen-2-ylnaphtho[2,3-b][1]benzofuran-3-yl)-2,6-diphenylpyrimidine is Cc1c(-c2ccccc2)nc(-c2ccccc2)nc1-c1ccc2c(c1)oc1c(-c3ccc4ccccc4c3)c3ccccc3cc12.
What is the InChIKey of 5-methyl-4-(6-naphthalen-2-ylnaphtho[2,3-b][1]benzofuran-3-yl)-2,6-diphenylpyrimidine?
The InChIKey is OMHUYQSEJXEHTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H28N2O/c1-27-40(29-13-4-2-5-14-29)44-43(30-15-6-3-7-16-30)45-41(27)34-22-23-36-37-25-32-18-10-11-19-35(32)39(42(37)46-38(36)26-34)33-21-20-28-12-8-9-17-31(28)24-33/h2-26H,1H3.
What are the key properties of 5-methyl-4-(6-naphthalen-2-ylnaphtho[2,3-b][1]benzofuran-3-yl)-2,6-diphenylpyrimidine?
5-methyl-4-(6-naphthalen-2-ylnaphtho[2,3-b][1]benzofuran-3-yl)-2,6-diphenylpyrimidine has a molecular weight of 588.71 g/mol, XLogP of 11.66, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-4-(6-naphthalen-2-ylnaphtho[2,3-b][1]benzofuran-3-yl)-2,6-diphenylpyrimidine is sourced from PubChem (CID 170211834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).