10-[10-(2-phenylphenyl)anthracen-9-yl]-[1]benzofuro[5,6-b][1]benzofuran

C40H24O2 — CID 176743072

IUPAC10-[10-(2-phenylphenyl)anthracen-9-yl]-[1]benzofuro[5,6-b][1]benzofuran
SMILESc1ccc(-c2ccccc2-c2c3ccccc3c(-c3c4ccoc4cc4c3oc3ccccc34)c3ccccc23)cc1
InChIInChI=1S/C40H24O2/c1-2-12-25(13-3-1)26-14-4-5-16-28(26)37-29-17-6-8-19-31(29)38(32-20-9-7-18-30(32)37)39-33-22-23-41-36(33)24-34-27-15-10-11-21-35(27)42-40(34)39/h1-24H
InChIKeyGBHVOFKAZPTSKF-UHFFFAOYSA-N
MW536.63 g/mol
LogP11.64
Rot. Bonds3

About 10-[10-(2-phenylphenyl)anthracen-9-yl]-[1]benzofuro[5,6-b][1]benzofuran

10-[10-(2-phenylphenyl)anthracen-9-yl]-[1]benzofuro[5,6-b][1]benzofuran (PubChem CID 176743072) has the molecular formula C40H24O2 and a molecular weight of 536.63 g/mol. Its IUPAC name is 10-[10-(2-phenylphenyl)anthracen-9-yl]-[1]benzofuro[5,6-b][1]benzofuran.

Molecular Properties

Compound Name10-[10-(2-phenylphenyl)anthracen-9-yl]-[1]benzofuro[5,6-b][1]benzofuran
PubChem CID176743072
Molecular FormulaC40H24O2
Molecular Weight536.63 g/mol
Exact Mass536.18
IUPAC Name10-[10-(2-phenylphenyl)anthracen-9-yl]-[1]benzofuro[5,6-b][1]benzofuran
SMILESc1ccc(-c2ccccc2-c2c3ccccc3c(-c3c4ccoc4cc4c3oc3ccccc34)c3ccccc23)cc1
InChIInChI=1S/C40H24O2/c1-2-12-25(13-3-1)26-14-4-5-16-28(26)37-29-17-6-8-19-31(29)38(32-20-9-7-18-30(32)37)39-33-22-23-41-36(33)24-34-27-15-10-11-21-35(27)42-40(34)39/h1-24H
InChIKeyGBHVOFKAZPTSKF-UHFFFAOYSA-N
XLogP11.64
TPSA26.28 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500536.63
LogP ≤ 511.64
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

6-[10-(2-phenylphenyl)anthracen-9-yl]naphtho[2,3-b][1]benzofuran
CID 88568939
4-[10-(2-phenylphenyl)anthracen-9-yl]-[1]benzofuro[5,4-b][1]benzofuran
CID 176743110
10-[4-(1,2,3,4,5,6,7,8-octadeuterio-10-phenylanthracen-9-yl)phenyl]-[1]benzofuro[5,6-b][1]benzofuran
CID 176744945
10-(10-dibenzothiophen-3-ylanthracen-9-yl)-[1]benzofuro[5,6-b][1]benzofuran
CID 176743671
6-[10-(2-phenylphenyl)anthracen-9-yl]-[1]benzofuro[4,5-b][1]benzofuran
CID 176743583
7-[10-(2-phenylphenyl)anthracen-9-yl]-[1]benzofuro[3,2-e][1]benzofuran
CID 176743048
8-[10-(2,6-diphenylphenyl)anthracen-9-yl]-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14,16,18-nonaene
CID 171447445
3-phenyl-2-[10-(2-phenylphenyl)anthracen-9-yl]dibenzofuran
CID 155334783
7-[10-(2-phenylphenyl)anthracen-9-yl]-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14,16,18-nonaene
CID 170654309
5-(10-dibenzofuran-4-ylanthracen-9-yl)-[1]benzofuro[2,3-e][1]benzofuran
CID 176744255
9-(2-phenylphenyl)-10-[10-(2-phenylphenyl)anthracen-9-yl]anthracene
CID 21043381
4-[8-dibenzofuran-4-yl-10-(4,5-diphenylanthracen-9-yl)anthracen-1-yl]dibenzofuran
CID 155334912

Frequently Asked Questions

What is the IUPAC name of 10-[10-(2-phenylphenyl)anthracen-9-yl]-[1]benzofuro[5,6-b][1]benzofuran?
The IUPAC name of 10-[10-(2-phenylphenyl)anthracen-9-yl]-[1]benzofuro[5,6-b][1]benzofuran (CID 176743072) is 10-[10-(2-phenylphenyl)anthracen-9-yl]-[1]benzofuro[5,6-b][1]benzofuran.
What is the SMILES notation for 10-[10-(2-phenylphenyl)anthracen-9-yl]-[1]benzofuro[5,6-b][1]benzofuran?
The canonical SMILES for 10-[10-(2-phenylphenyl)anthracen-9-yl]-[1]benzofuro[5,6-b][1]benzofuran is c1ccc(-c2ccccc2-c2c3ccccc3c(-c3c4ccoc4cc4c3oc3ccccc34)c3ccccc23)cc1.
What is the InChIKey of 10-[10-(2-phenylphenyl)anthracen-9-yl]-[1]benzofuro[5,6-b][1]benzofuran?
The InChIKey is GBHVOFKAZPTSKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H24O2/c1-2-12-25(13-3-1)26-14-4-5-16-28(26)37-29-17-6-8-19-31(29)38(32-20-9-7-18-30(32)37)39-33-22-23-41-36(33)24-34-27-15-10-11-21-35(27)42-40(34)39/h1-24H.
What are the key properties of 10-[10-(2-phenylphenyl)anthracen-9-yl]-[1]benzofuro[5,6-b][1]benzofuran?
10-[10-(2-phenylphenyl)anthracen-9-yl]-[1]benzofuro[5,6-b][1]benzofuran has a molecular weight of 536.63 g/mol, XLogP of 11.64, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 10-[10-(2-phenylphenyl)anthracen-9-yl]-[1]benzofuro[5,6-b][1]benzofuran is sourced from PubChem (CID 176743072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).