4-(3-methyl-1-benzofuran-2-yl)-2-naphtho[2,1-b][1]benzofuran-6-ylpyridine

C30H19NO2 — CID 165167951

IUPAC4-(3-methyl-1-benzofuran-2-yl)-2-naphtho[2,1-b][1]benzofuran-6-ylpyridine
SMILESCc1c(-c2ccnc(-c3cc4ccccc4c4c3oc3ccccc34)c2)oc2ccccc12
InChIInChI=1S/C30H19NO2/c1-18-21-9-4-6-12-26(21)32-29(18)20-14-15-31-25(17-20)24-16-19-8-2-3-10-22(19)28-23-11-5-7-13-27(23)33-30(24)28/h2-17H,1H3
InChIKeyGXAGZPKOPPAXEQ-UHFFFAOYSA-N
MW425.49 g/mol
LogP8.52
Rot. Bonds2

About 4-(3-methyl-1-benzofuran-2-yl)-2-naphtho[2,1-b][1]benzofuran-6-ylpyridine

4-(3-methyl-1-benzofuran-2-yl)-2-naphtho[2,1-b][1]benzofuran-6-ylpyridine (PubChem CID 165167951) has the molecular formula C30H19NO2 and a molecular weight of 425.49 g/mol. Its IUPAC name is 4-(3-methyl-1-benzofuran-2-yl)-2-naphtho[2,1-b][1]benzofuran-6-ylpyridine.

Molecular Properties

Compound Name4-(3-methyl-1-benzofuran-2-yl)-2-naphtho[2,1-b][1]benzofuran-6-ylpyridine
PubChem CID165167951
Molecular FormulaC30H19NO2
Molecular Weight425.49 g/mol
Exact Mass425.14
IUPAC Name4-(3-methyl-1-benzofuran-2-yl)-2-naphtho[2,1-b][1]benzofuran-6-ylpyridine
SMILESCc1c(-c2ccnc(-c3cc4ccccc4c4c3oc3ccccc34)c2)oc2ccccc12
InChIInChI=1S/C30H19NO2/c1-18-21-9-4-6-12-26(21)32-29(18)20-14-15-31-25(17-20)24-16-19-8-2-3-10-22(19)28-23-11-5-7-13-27(23)33-30(24)28/h2-17H,1H3
InChIKeyGXAGZPKOPPAXEQ-UHFFFAOYSA-N
XLogP8.52
TPSA39.17 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500425.49
LogP ≤ 58.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(3-methyl-1-benzofuran-2-yl)-2-naphtho[2,1-b][1]benzofuran-6-ylpyridine?
The IUPAC name of 4-(3-methyl-1-benzofuran-2-yl)-2-naphtho[2,1-b][1]benzofuran-6-ylpyridine (CID 165167951) is 4-(3-methyl-1-benzofuran-2-yl)-2-naphtho[2,1-b][1]benzofuran-6-ylpyridine.
What is the SMILES notation for 4-(3-methyl-1-benzofuran-2-yl)-2-naphtho[2,1-b][1]benzofuran-6-ylpyridine?
The canonical SMILES for 4-(3-methyl-1-benzofuran-2-yl)-2-naphtho[2,1-b][1]benzofuran-6-ylpyridine is Cc1c(-c2ccnc(-c3cc4ccccc4c4c3oc3ccccc34)c2)oc2ccccc12.
What is the InChIKey of 4-(3-methyl-1-benzofuran-2-yl)-2-naphtho[2,1-b][1]benzofuran-6-ylpyridine?
The InChIKey is GXAGZPKOPPAXEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H19NO2/c1-18-21-9-4-6-12-26(21)32-29(18)20-14-15-31-25(17-20)24-16-19-8-2-3-10-22(19)28-23-11-5-7-13-27(23)33-30(24)28/h2-17H,1H3.
What are the key properties of 4-(3-methyl-1-benzofuran-2-yl)-2-naphtho[2,1-b][1]benzofuran-6-ylpyridine?
4-(3-methyl-1-benzofuran-2-yl)-2-naphtho[2,1-b][1]benzofuran-6-ylpyridine has a molecular weight of 425.49 g/mol, XLogP of 8.52, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methyl-1-benzofuran-2-yl)-2-naphtho[2,1-b][1]benzofuran-6-ylpyridine is sourced from PubChem (CID 165167951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).