8-[4-(10-phenylanthracen-9-yl)phenyl]-[1]benzofuro[7,6-b][1]benzofuran

C40H24O2 — CID 176742954

IUPAC8-[4-(10-phenylanthracen-9-yl)phenyl]-[1]benzofuro[7,6-b][1]benzofuran
SMILESc1ccc(-c2c3ccccc3c(-c3ccc(-c4ccc5c(c4)oc4c5ccc5ccoc54)cc3)c3ccccc23)cc1
InChIInChI=1S/C40H24O2/c1-2-8-26(9-3-1)37-31-10-4-6-12-33(31)38(34-13-7-5-11-32(34)37)27-16-14-25(15-17-27)29-19-20-30-35-21-18-28-22-23-41-39(28)40(35)42-36(30)24-29/h1-24H
InChIKeyVFTOUAKLKBDEIT-UHFFFAOYSA-N
MW536.63 g/mol
LogP11.64
Rot. Bonds3

About 8-[4-(10-phenylanthracen-9-yl)phenyl]-[1]benzofuro[7,6-b][1]benzofuran

8-[4-(10-phenylanthracen-9-yl)phenyl]-[1]benzofuro[7,6-b][1]benzofuran (PubChem CID 176742954) has the molecular formula C40H24O2 and a molecular weight of 536.63 g/mol. Its IUPAC name is 8-[4-(10-phenylanthracen-9-yl)phenyl]-[1]benzofuro[7,6-b][1]benzofuran.

Molecular Properties

Compound Name8-[4-(10-phenylanthracen-9-yl)phenyl]-[1]benzofuro[7,6-b][1]benzofuran
PubChem CID176742954
Molecular FormulaC40H24O2
Molecular Weight536.63 g/mol
Exact Mass536.18
IUPAC Name8-[4-(10-phenylanthracen-9-yl)phenyl]-[1]benzofuro[7,6-b][1]benzofuran
SMILESc1ccc(-c2c3ccccc3c(-c3ccc(-c4ccc5c(c4)oc4c5ccc5ccoc54)cc3)c3ccccc23)cc1
InChIInChI=1S/C40H24O2/c1-2-8-26(9-3-1)37-31-10-4-6-12-33(31)38(34-13-7-5-11-32(34)37)27-16-14-25(15-17-27)29-19-20-30-35-21-18-28-22-23-41-39(28)40(35)42-36(30)24-29/h1-24H
InChIKeyVFTOUAKLKBDEIT-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

9-[10-(4-phenylphenyl)anthracen-9-yl]-[1]benzofuro[7,6-b][1]benzofuran
CID 176745196
6-[10-(4-phenylphenyl)anthracen-9-yl]-[1]benzofuro[7,6-b][1]benzofuran
CID 176745258
9-(10-dibenzofuran-3-ylanthracen-9-yl)-[1]benzofuro[7,6-b][1]benzofuran
CID 176745436
18-[10-(6-phenylnaphthalen-2-yl)anthracen-9-yl]-12,15-dioxahexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3,5,7,9,14(22),16(21),17,19,23-undecaene
CID 130190099
3-[4-[10-(4-phenylphenyl)anthracen-9-yl]phenyl]dibenzofuran
CID 146350651
9-[10-(4-triphenylen-2-ylphenyl)anthracen-9-yl]naphtho[1,2-b][1]benzofuran
CID 134487734
18-[4-(10-dibenzofuran-3-ylanthracen-9-yl)phenyl]-3,24-dioxahexacyclo[11.11.0.02,10.04,9.014,23.016,21]tetracosa-1(13),2(10),4,6,8,11,14(23),15,17,19,21-undecaene
CID 130185542
6-[3-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,14,16,18-nonaene
CID 122426855
7-[4-(10-phenylanthracen-9-yl)phenyl]-3,15-dioxahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1(13),2(10),4(9),5,7,11,14(22),16,18,20,23-undecaene
CID 130212470
7-[7-(10-phenylanthracen-9-yl)dibenzofuran-3-yl]-12,16-dioxahexacyclo[11.11.0.02,11.05,10.015,23.017,22]tetracosa-1(13),2(11),3,5(10),6,8,14,17,19,21,23-undecaene
CID 130185583
6-[4-(10-phenylanthracen-9-yl)naphthalen-2-yl]-3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,14,16,18-nonaene
CID 122425914
6-(10-naphthalen-2-ylanthracen-9-yl)-3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,14,16,18-nonaene
CID 122426775

Frequently Asked Questions

What is the IUPAC name of 8-[4-(10-phenylanthracen-9-yl)phenyl]-[1]benzofuro[7,6-b][1]benzofuran?
The IUPAC name of 8-[4-(10-phenylanthracen-9-yl)phenyl]-[1]benzofuro[7,6-b][1]benzofuran (CID 176742954) is 8-[4-(10-phenylanthracen-9-yl)phenyl]-[1]benzofuro[7,6-b][1]benzofuran.
What is the SMILES notation for 8-[4-(10-phenylanthracen-9-yl)phenyl]-[1]benzofuro[7,6-b][1]benzofuran?
The canonical SMILES for 8-[4-(10-phenylanthracen-9-yl)phenyl]-[1]benzofuro[7,6-b][1]benzofuran is c1ccc(-c2c3ccccc3c(-c3ccc(-c4ccc5c(c4)oc4c5ccc5ccoc54)cc3)c3ccccc23)cc1.
What is the InChIKey of 8-[4-(10-phenylanthracen-9-yl)phenyl]-[1]benzofuro[7,6-b][1]benzofuran?
The InChIKey is VFTOUAKLKBDEIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H24O2/c1-2-8-26(9-3-1)37-31-10-4-6-12-33(31)38(34-13-7-5-11-32(34)37)27-16-14-25(15-17-27)29-19-20-30-35-21-18-28-22-23-41-39(28)40(35)42-36(30)24-29/h1-24H.
What are the key properties of 8-[4-(10-phenylanthracen-9-yl)phenyl]-[1]benzofuro[7,6-b][1]benzofuran?
8-[4-(10-phenylanthracen-9-yl)phenyl]-[1]benzofuro[7,6-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 8-[4-(10-phenylanthracen-9-yl)phenyl]-[1]benzofuro[7,6-b][1]benzofuran is sourced from PubChem (CID 176742954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).