5-(4-methyl-2-phenylphenyl)naphtho[2,1-b][1]benzofuran

C29H20O — CID 157348273

IUPAC5-(4-methyl-2-phenylphenyl)naphtho[2,1-b][1]benzofuran
SMILESCc1ccc(-c2cc3oc4ccccc4c3c3ccccc23)c(-c2ccccc2)c1
InChIInChI=1S/C29H20O/c1-19-15-16-22(25(17-19)20-9-3-2-4-10-20)26-18-28-29(23-12-6-5-11-21(23)26)24-13-7-8-14-27(24)30-28/h2-18H,1H3
InChIKeyHWGPXOSUPHFSJH-UHFFFAOYSA-N
MW384.48 g/mol
LogP8.38
Rot. Bonds2

About 5-(4-methyl-2-phenylphenyl)naphtho[2,1-b][1]benzofuran

5-(4-methyl-2-phenylphenyl)naphtho[2,1-b][1]benzofuran (PubChem CID 157348273) has the molecular formula C29H20O and a molecular weight of 384.48 g/mol. Its IUPAC name is 5-(4-methyl-2-phenylphenyl)naphtho[2,1-b][1]benzofuran.

Molecular Properties

Compound Name5-(4-methyl-2-phenylphenyl)naphtho[2,1-b][1]benzofuran
PubChem CID157348273
Molecular FormulaC29H20O
Molecular Weight384.48 g/mol
Exact Mass384.15
IUPAC Name5-(4-methyl-2-phenylphenyl)naphtho[2,1-b][1]benzofuran
SMILESCc1ccc(-c2cc3oc4ccccc4c3c3ccccc23)c(-c2ccccc2)c1
InChIInChI=1S/C29H20O/c1-19-15-16-22(25(17-19)20-9-3-2-4-10-20)26-18-28-29(23-12-6-5-11-21(23)26)24-13-7-8-14-27(24)30-28/h2-18H,1H3
InChIKeyHWGPXOSUPHFSJH-UHFFFAOYSA-N
XLogP8.38
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.48
LogP ≤ 58.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-(4-methyl-2-phenylphenyl)naphtho[2,1-b][1]benzofuran?
The IUPAC name of 5-(4-methyl-2-phenylphenyl)naphtho[2,1-b][1]benzofuran (CID 157348273) is 5-(4-methyl-2-phenylphenyl)naphtho[2,1-b][1]benzofuran.
What is the SMILES notation for 5-(4-methyl-2-phenylphenyl)naphtho[2,1-b][1]benzofuran?
The canonical SMILES for 5-(4-methyl-2-phenylphenyl)naphtho[2,1-b][1]benzofuran is Cc1ccc(-c2cc3oc4ccccc4c3c3ccccc23)c(-c2ccccc2)c1.
What is the InChIKey of 5-(4-methyl-2-phenylphenyl)naphtho[2,1-b][1]benzofuran?
The InChIKey is HWGPXOSUPHFSJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H20O/c1-19-15-16-22(25(17-19)20-9-3-2-4-10-20)26-18-28-29(23-12-6-5-11-21(23)26)24-13-7-8-14-27(24)30-28/h2-18H,1H3.
What are the key properties of 5-(4-methyl-2-phenylphenyl)naphtho[2,1-b][1]benzofuran?
5-(4-methyl-2-phenylphenyl)naphtho[2,1-b][1]benzofuran has a molecular weight of 384.48 g/mol, XLogP of 8.38, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methyl-2-phenylphenyl)naphtho[2,1-b][1]benzofuran is sourced from PubChem (CID 157348273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).