6-(10-naphthalen-2-ylanthracen-9-yl)-1-phenyl-[1]benzofuro[5,6-b][1]benzofuran

C44H26O2 — CID 176742770

IUPAC6-(10-naphthalen-2-ylanthracen-9-yl)-1-phenyl-[1]benzofuro[5,6-b][1]benzofuran
SMILESc1ccc(-c2coc3cc4c(cc23)oc2ccc(-c3c5ccccc5c(-c5ccc6ccccc6c5)c5ccccc35)cc24)cc1
InChIInChI=1S/C44H26O2/c1-2-11-28(12-3-1)39-26-45-41-24-37-36-23-31(20-21-40(36)46-42(37)25-38(39)41)44-34-16-8-6-14-32(34)43(33-15-7-9-17-35(33)44)30-19-18-27-10-4-5-13-29(27)22-30/h1-26H
InChIKeySBSODXNCLKTFAY-UHFFFAOYSA-N
MW586.69 g/mol
LogP12.79
Rot. Bonds3

About 6-(10-naphthalen-2-ylanthracen-9-yl)-1-phenyl-[1]benzofuro[5,6-b][1]benzofuran

6-(10-naphthalen-2-ylanthracen-9-yl)-1-phenyl-[1]benzofuro[5,6-b][1]benzofuran (PubChem CID 176742770) has the molecular formula C44H26O2 and a molecular weight of 586.69 g/mol. Its IUPAC name is 6-(10-naphthalen-2-ylanthracen-9-yl)-1-phenyl-[1]benzofuro[5,6-b][1]benzofuran.

Molecular Properties

Compound Name6-(10-naphthalen-2-ylanthracen-9-yl)-1-phenyl-[1]benzofuro[5,6-b][1]benzofuran
PubChem CID176742770
Molecular FormulaC44H26O2
Molecular Weight586.69 g/mol
Exact Mass586.19
IUPAC Name6-(10-naphthalen-2-ylanthracen-9-yl)-1-phenyl-[1]benzofuro[5,6-b][1]benzofuran
SMILESc1ccc(-c2coc3cc4c(cc23)oc2ccc(-c3c5ccccc5c(-c5ccc6ccccc6c5)c5ccccc35)cc24)cc1
InChIInChI=1S/C44H26O2/c1-2-11-28(12-3-1)39-26-45-41-24-37-36-23-31(20-21-40(36)46-42(37)25-38(39)41)44-34-16-8-6-14-32(34)43(33-15-7-9-17-35(33)44)30-19-18-27-10-4-5-13-29(27)22-30/h1-26H
InChIKeySBSODXNCLKTFAY-UHFFFAOYSA-N
XLogP12.79
TPSA26.28 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500586.69
LogP ≤ 512.79
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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Related Compounds

1-phenyl-6-[10-(3-phenylphenyl)anthracen-9-yl]-[1]benzofuro[5,6-b][1]benzofuran
CID 176743575
6-(10-naphthalen-2-ylanthracen-9-yl)-1,2-diphenyl-[1]benzofuro[5,6-b][1]benzofuran
CID 176744195
7-(10-dibenzofuran-1-ylanthracen-9-yl)-1-naphthalen-2-yl-[1]benzofuro[5,6-b][1]benzofuran
CID 176745557
2-[10-[(2-phenylphenyl)methyl]anthracen-9-yl]naphtho[2,3-b][1]benzofuran
CID 176754857
6-(10-naphthalen-2-ylanthracen-9-yl)-[1]benzofuro[6,5-b][1]benzofuran
CID 176745442
2-(10-naphthalen-2-ylanthracen-9-yl)-6-phenyldibenzofuran
CID 155334995
2-[3-[10-(4-naphthalen-2-ylphenyl)anthracen-9-yl]phenyl]naphtho[2,3-b][1]benzofuran;2-[3-[10-(3-phenylphenyl)anthracen-9-yl]phenyl]naphtho[2,3-b][1]benzofuran
CID 160681067
2-[2-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]phenyl]dibenzofuran
CID 174296945
2-(10-naphthalen-1-ylanthracen-9-yl)naphtho[2,3-b][1]benzofuran;2-(10-naphthalen-2-ylanthracen-9-yl)naphtho[2,3-b][1]benzofuran;2-(10-phenylanthracen-9-yl)naphtho[2,3-b][1]benzofuran
CID 161091180
2-(2-naphthalen-2-yl-10-naphtho[2,3-b][1]benzofuran-2-ylanthracen-9-yl)naphtho[2,3-b][1]benzofuran
CID 118402714
7-naphthalen-2-yl-2-(10-phenylanthracen-9-yl)dibenzofuran;2-(10-phenylanthracen-9-yl)-7-(3-phenylphenyl)dibenzofuran;7-phenyl-2-(10-phenylanthracen-9-yl)dibenzofuran
CID 164972218
CID 165025337
CID 165025337

Frequently Asked Questions

What is the IUPAC name of 6-(10-naphthalen-2-ylanthracen-9-yl)-1-phenyl-[1]benzofuro[5,6-b][1]benzofuran?
The IUPAC name of 6-(10-naphthalen-2-ylanthracen-9-yl)-1-phenyl-[1]benzofuro[5,6-b][1]benzofuran (CID 176742770) is 6-(10-naphthalen-2-ylanthracen-9-yl)-1-phenyl-[1]benzofuro[5,6-b][1]benzofuran.
What is the SMILES notation for 6-(10-naphthalen-2-ylanthracen-9-yl)-1-phenyl-[1]benzofuro[5,6-b][1]benzofuran?
The canonical SMILES for 6-(10-naphthalen-2-ylanthracen-9-yl)-1-phenyl-[1]benzofuro[5,6-b][1]benzofuran is c1ccc(-c2coc3cc4c(cc23)oc2ccc(-c3c5ccccc5c(-c5ccc6ccccc6c5)c5ccccc35)cc24)cc1.
What is the InChIKey of 6-(10-naphthalen-2-ylanthracen-9-yl)-1-phenyl-[1]benzofuro[5,6-b][1]benzofuran?
The InChIKey is SBSODXNCLKTFAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H26O2/c1-2-11-28(12-3-1)39-26-45-41-24-37-36-23-31(20-21-40(36)46-42(37)25-38(39)41)44-34-16-8-6-14-32(34)43(33-15-7-9-17-35(33)44)30-19-18-27-10-4-5-13-29(27)22-30/h1-26H.
What are the key properties of 6-(10-naphthalen-2-ylanthracen-9-yl)-1-phenyl-[1]benzofuro[5,6-b][1]benzofuran?
6-(10-naphthalen-2-ylanthracen-9-yl)-1-phenyl-[1]benzofuro[5,6-b][1]benzofuran has a molecular weight of 586.69 g/mol, XLogP of 12.79, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(10-naphthalen-2-ylanthracen-9-yl)-1-phenyl-[1]benzofuro[5,6-b][1]benzofuran is sourced from PubChem (CID 176742770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).