2-[12-(1-benzofuran-2-yl)-6-methyltetracen-5-yl]-1-benzofuran

C35H22O2 — CID 58501158

IUPAC2-[12-(1-benzofuran-2-yl)-6-methyltetracen-5-yl]-1-benzofuran
SMILESCc1c2ccccc2cc2c(-c3cc4ccccc4o3)c3ccccc3c(-c3cc4ccccc4o3)c12
InChIInChI=1S/C35H22O2/c1-21-25-13-5-2-10-22(25)18-28-33(21)35(32-20-24-12-4-9-17-30(24)37-32)27-15-7-6-14-26(27)34(28)31-19-23-11-3-8-16-29(23)36-31/h2-20H,1H3
InChIKeyPNGVBJNDCXXLNA-UHFFFAOYSA-N
MW474.56 g/mol
LogP10.28
Rot. Bonds2

About 2-[12-(1-benzofuran-2-yl)-6-methyltetracen-5-yl]-1-benzofuran

2-[12-(1-benzofuran-2-yl)-6-methyltetracen-5-yl]-1-benzofuran (PubChem CID 58501158) has the molecular formula C35H22O2 and a molecular weight of 474.56 g/mol. Its IUPAC name is 2-[12-(1-benzofuran-2-yl)-6-methyltetracen-5-yl]-1-benzofuran.

Molecular Properties

Compound Name2-[12-(1-benzofuran-2-yl)-6-methyltetracen-5-yl]-1-benzofuran
PubChem CID58501158
Molecular FormulaC35H22O2
Molecular Weight474.56 g/mol
Exact Mass474.16
IUPAC Name2-[12-(1-benzofuran-2-yl)-6-methyltetracen-5-yl]-1-benzofuran
SMILESCc1c2ccccc2cc2c(-c3cc4ccccc4o3)c3ccccc3c(-c3cc4ccccc4o3)c12
InChIInChI=1S/C35H22O2/c1-21-25-13-5-2-10-22(25)18-28-33(21)35(32-20-24-12-4-9-17-30(24)37-32)27-15-7-6-14-26(27)34(28)31-19-23-11-3-8-16-29(23)36-31/h2-20H,1H3
InChIKeyPNGVBJNDCXXLNA-UHFFFAOYSA-N
XLogP10.28
TPSA26.28 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500474.56
LogP ≤ 510.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[12-(1-benzofuran-2-yl)-6-methyltetracen-5-yl]-1-benzofuran?
The IUPAC name of 2-[12-(1-benzofuran-2-yl)-6-methyltetracen-5-yl]-1-benzofuran (CID 58501158) is 2-[12-(1-benzofuran-2-yl)-6-methyltetracen-5-yl]-1-benzofuran.
What is the SMILES notation for 2-[12-(1-benzofuran-2-yl)-6-methyltetracen-5-yl]-1-benzofuran?
The canonical SMILES for 2-[12-(1-benzofuran-2-yl)-6-methyltetracen-5-yl]-1-benzofuran is Cc1c2ccccc2cc2c(-c3cc4ccccc4o3)c3ccccc3c(-c3cc4ccccc4o3)c12.
What is the InChIKey of 2-[12-(1-benzofuran-2-yl)-6-methyltetracen-5-yl]-1-benzofuran?
The InChIKey is PNGVBJNDCXXLNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H22O2/c1-21-25-13-5-2-10-22(25)18-28-33(21)35(32-20-24-12-4-9-17-30(24)37-32)27-15-7-6-14-26(27)34(28)31-19-23-11-3-8-16-29(23)36-31/h2-20H,1H3.
What are the key properties of 2-[12-(1-benzofuran-2-yl)-6-methyltetracen-5-yl]-1-benzofuran?
2-[12-(1-benzofuran-2-yl)-6-methyltetracen-5-yl]-1-benzofuran has a molecular weight of 474.56 g/mol, XLogP of 10.28, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[12-(1-benzofuran-2-yl)-6-methyltetracen-5-yl]-1-benzofuran is sourced from PubChem (CID 58501158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).