10-[2-methoxy-4-(10-phenylanthracen-9-yl)naphthalen-1-yl]naphtho[2,1-b][1]benzofuran

C47H30O2 — CID 155312822

IUPAC10-[2-methoxy-4-(10-phenylanthracen-9-yl)naphthalen-1-yl]naphtho[2,1-b][1]benzofuran
SMILESCOc1cc(-c2c3ccccc3c(-c3ccccc3)c3ccccc23)c2ccccc2c1-c1ccc2oc3ccc4ccccc4c3c2c1
InChIInChI=1S/C47H30O2/c1-48-43-28-39(46-37-21-11-9-19-35(37)44(30-14-3-2-4-15-30)36-20-10-12-22-38(36)46)33-17-7-8-18-34(33)45(43)31-24-25-41-40(27-31)47-32-16-6-5-13-29(32)23-26-42(47)49-41/h2-28H,1H3
InChIKeyMBWYZRBJLFNWLH-UHFFFAOYSA-N
MW626.76 g/mol
LogP13.21
Rot. Bonds4

About 10-[2-methoxy-4-(10-phenylanthracen-9-yl)naphthalen-1-yl]naphtho[2,1-b][1]benzofuran

10-[2-methoxy-4-(10-phenylanthracen-9-yl)naphthalen-1-yl]naphtho[2,1-b][1]benzofuran (PubChem CID 155312822) has the molecular formula C47H30O2 and a molecular weight of 626.76 g/mol. Its IUPAC name is 10-[2-methoxy-4-(10-phenylanthracen-9-yl)naphthalen-1-yl]naphtho[2,1-b][1]benzofuran.

Molecular Properties

Compound Name10-[2-methoxy-4-(10-phenylanthracen-9-yl)naphthalen-1-yl]naphtho[2,1-b][1]benzofuran
PubChem CID155312822
Molecular FormulaC47H30O2
Molecular Weight626.76 g/mol
Exact Mass626.22
IUPAC Name10-[2-methoxy-4-(10-phenylanthracen-9-yl)naphthalen-1-yl]naphtho[2,1-b][1]benzofuran
SMILESCOc1cc(-c2c3ccccc3c(-c3ccccc3)c3ccccc23)c2ccccc2c1-c1ccc2oc3ccc4ccccc4c3c2c1
InChIInChI=1S/C47H30O2/c1-48-43-28-39(46-37-21-11-9-19-35(37)44(30-14-3-2-4-15-30)36-20-10-12-22-38(36)46)33-17-7-8-18-34(33)45(43)31-24-25-41-40(27-31)47-32-16-6-5-13-29(32)23-26-42(47)49-41/h2-28H,1H3
InChIKeyMBWYZRBJLFNWLH-UHFFFAOYSA-N
XLogP13.21
TPSA22.37 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500626.76
LogP ≤ 513.21
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 10-[2-methoxy-4-(10-phenylanthracen-9-yl)naphthalen-1-yl]naphtho[2,1-b][1]benzofuran?
The IUPAC name of 10-[2-methoxy-4-(10-phenylanthracen-9-yl)naphthalen-1-yl]naphtho[2,1-b][1]benzofuran (CID 155312822) is 10-[2-methoxy-4-(10-phenylanthracen-9-yl)naphthalen-1-yl]naphtho[2,1-b][1]benzofuran.
What is the SMILES notation for 10-[2-methoxy-4-(10-phenylanthracen-9-yl)naphthalen-1-yl]naphtho[2,1-b][1]benzofuran?
The canonical SMILES for 10-[2-methoxy-4-(10-phenylanthracen-9-yl)naphthalen-1-yl]naphtho[2,1-b][1]benzofuran is COc1cc(-c2c3ccccc3c(-c3ccccc3)c3ccccc23)c2ccccc2c1-c1ccc2oc3ccc4ccccc4c3c2c1.
What is the InChIKey of 10-[2-methoxy-4-(10-phenylanthracen-9-yl)naphthalen-1-yl]naphtho[2,1-b][1]benzofuran?
The InChIKey is MBWYZRBJLFNWLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H30O2/c1-48-43-28-39(46-37-21-11-9-19-35(37)44(30-14-3-2-4-15-30)36-20-10-12-22-38(36)46)33-17-7-8-18-34(33)45(43)31-24-25-41-40(27-31)47-32-16-6-5-13-29(32)23-26-42(47)49-41/h2-28H,1H3.
What are the key properties of 10-[2-methoxy-4-(10-phenylanthracen-9-yl)naphthalen-1-yl]naphtho[2,1-b][1]benzofuran?
10-[2-methoxy-4-(10-phenylanthracen-9-yl)naphthalen-1-yl]naphtho[2,1-b][1]benzofuran has a molecular weight of 626.76 g/mol, XLogP of 13.21, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 10-[2-methoxy-4-(10-phenylanthracen-9-yl)naphthalen-1-yl]naphtho[2,1-b][1]benzofuran is sourced from PubChem (CID 155312822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).