7-[10-(4-phenylphenyl)anthracen-9-yl]-[1]benzofuro[2,3-g][1]benzofuran

C40H24O2 — CID 176745766

IUPAC7-[10-(4-phenylphenyl)anthracen-9-yl]-[1]benzofuro[2,3-g][1]benzofuran
SMILESc1ccc(-c2ccc(-c3c4ccccc4c(-c4cccc5c4oc4ccc6ccoc6c45)c4ccccc34)cc2)cc1
InChIInChI=1S/C40H24O2/c1-2-9-25(10-3-1)26-17-19-27(20-18-26)36-29-11-4-6-13-31(29)37(32-14-7-5-12-30(32)36)33-15-8-16-34-38-35(42-40(33)34)22-21-28-23-24-41-39(28)38/h1-24H
InChIKeyPVYOAVCRWSKOHI-UHFFFAOYSA-N
MW536.63 g/mol
LogP11.64
Rot. Bonds3

About 7-[10-(4-phenylphenyl)anthracen-9-yl]-[1]benzofuro[2,3-g][1]benzofuran

7-[10-(4-phenylphenyl)anthracen-9-yl]-[1]benzofuro[2,3-g][1]benzofuran (PubChem CID 176745766) has the molecular formula C40H24O2 and a molecular weight of 536.63 g/mol. Its IUPAC name is 7-[10-(4-phenylphenyl)anthracen-9-yl]-[1]benzofuro[2,3-g][1]benzofuran.

Molecular Properties

Compound Name7-[10-(4-phenylphenyl)anthracen-9-yl]-[1]benzofuro[2,3-g][1]benzofuran
PubChem CID176745766
Molecular FormulaC40H24O2
Molecular Weight536.63 g/mol
Exact Mass536.18
IUPAC Name7-[10-(4-phenylphenyl)anthracen-9-yl]-[1]benzofuro[2,3-g][1]benzofuran
SMILESc1ccc(-c2ccc(-c3c4ccccc4c(-c4cccc5c4oc4ccc6ccoc6c45)c4ccccc34)cc2)cc1
InChIInChI=1S/C40H24O2/c1-2-9-25(10-3-1)26-17-19-27(20-18-26)36-29-11-4-6-13-31(29)37(32-14-7-5-12-30(32)36)33-15-8-16-34-38-35(42-40(33)34)22-21-28-23-24-41-39(28)38/h1-24H
InChIKeyPVYOAVCRWSKOHI-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

7-(1,2,3,4,5,6,7,8-octadeuterio-10-phenylanthracen-9-yl)-[1]benzofuro[2,3-g][1]benzofuran
CID 176743196
6-[10-(4-phenylphenyl)anthracen-9-yl]-[1]benzofuro[7,6-b][1]benzofuran
CID 176745258
9-(10-dibenzofuran-4-ylanthracen-9-yl)-[1]benzofuro[2,3-g][1]benzofuran
CID 176744574
9-[10-(4-phenylphenyl)anthracen-9-yl]-[1]benzofuro[7,6-b][1]benzofuran
CID 176745196
7-[10-(2-phenylphenyl)anthracen-9-yl]-[1]benzofuro[3,2-e][1]benzofuran
CID 176743048
8-(10-dibenzothiophen-1-ylanthracen-9-yl)-[1]benzofuro[2,3-g][1]benzofuran
CID 176743961
7-(10-phenylanthracen-9-yl)-12-oxapentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3(8),4,6,9,14,16,18,20-decaene
CID 166831977
8-[4-(10-phenylanthracen-9-yl)phenyl]-[1]benzofuro[7,6-b][1]benzofuran
CID 176742954
1-[10-(4-naphthalen-1-ylphenyl)anthracen-9-yl]-6-phenyldibenzofuran
CID 176751774
9-(10-dibenzofuran-3-ylanthracen-9-yl)-[1]benzofuro[7,6-b][1]benzofuran
CID 176745436
1-[10-(3,5-diphenylphenyl)anthracen-9-yl]-6-phenyldibenzofuran
CID 176777662
1-phenyl-6-[10-[5-[6-(10-phenylanthracen-9-yl)naphthalen-1-yl]naphthalen-2-yl]anthracen-9-yl]dibenzofuran
CID 175617518

Frequently Asked Questions

What is the IUPAC name of 7-[10-(4-phenylphenyl)anthracen-9-yl]-[1]benzofuro[2,3-g][1]benzofuran?
The IUPAC name of 7-[10-(4-phenylphenyl)anthracen-9-yl]-[1]benzofuro[2,3-g][1]benzofuran (CID 176745766) is 7-[10-(4-phenylphenyl)anthracen-9-yl]-[1]benzofuro[2,3-g][1]benzofuran.
What is the SMILES notation for 7-[10-(4-phenylphenyl)anthracen-9-yl]-[1]benzofuro[2,3-g][1]benzofuran?
The canonical SMILES for 7-[10-(4-phenylphenyl)anthracen-9-yl]-[1]benzofuro[2,3-g][1]benzofuran is c1ccc(-c2ccc(-c3c4ccccc4c(-c4cccc5c4oc4ccc6ccoc6c45)c4ccccc34)cc2)cc1.
What is the InChIKey of 7-[10-(4-phenylphenyl)anthracen-9-yl]-[1]benzofuro[2,3-g][1]benzofuran?
The InChIKey is PVYOAVCRWSKOHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H24O2/c1-2-9-25(10-3-1)26-17-19-27(20-18-26)36-29-11-4-6-13-31(29)37(32-14-7-5-12-30(32)36)33-15-8-16-34-38-35(42-40(33)34)22-21-28-23-24-41-39(28)38/h1-24H.
What are the key properties of 7-[10-(4-phenylphenyl)anthracen-9-yl]-[1]benzofuro[2,3-g][1]benzofuran?
7-[10-(4-phenylphenyl)anthracen-9-yl]-[1]benzofuro[2,3-g][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 7-[10-(4-phenylphenyl)anthracen-9-yl]-[1]benzofuro[2,3-g][1]benzofuran is sourced from PubChem (CID 176745766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).