4-(10-naphthalen-2-ylanthracen-9-yl)-[1]benzofuro[5,4-b][1]benzofuran

C38H22O2 — CID 176743706

IUPAC4-(10-naphthalen-2-ylanthracen-9-yl)-[1]benzofuro[5,4-b][1]benzofuran
SMILESc1ccc2cc(-c3c4ccccc4c(-c4cc5oc6ccccc6c5c5ccoc45)c4ccccc34)ccc2c1
InChIInChI=1S/C38H22O2/c1-2-10-24-21-25(18-17-23(24)9-1)35-26-11-3-5-13-28(26)36(29-14-6-4-12-27(29)35)32-22-34-37(31-19-20-39-38(31)32)30-15-7-8-16-33(30)40-34/h1-22H
InChIKeyGJRJGIGYVUQZNM-UHFFFAOYSA-N
MW510.59 g/mol
LogP11.13
Rot. Bonds2

About 4-(10-naphthalen-2-ylanthracen-9-yl)-[1]benzofuro[5,4-b][1]benzofuran

4-(10-naphthalen-2-ylanthracen-9-yl)-[1]benzofuro[5,4-b][1]benzofuran (PubChem CID 176743706) has the molecular formula C38H22O2 and a molecular weight of 510.59 g/mol. Its IUPAC name is 4-(10-naphthalen-2-ylanthracen-9-yl)-[1]benzofuro[5,4-b][1]benzofuran.

Molecular Properties

Compound Name4-(10-naphthalen-2-ylanthracen-9-yl)-[1]benzofuro[5,4-b][1]benzofuran
PubChem CID176743706
Molecular FormulaC38H22O2
Molecular Weight510.59 g/mol
Exact Mass510.16
IUPAC Name4-(10-naphthalen-2-ylanthracen-9-yl)-[1]benzofuro[5,4-b][1]benzofuran
SMILESc1ccc2cc(-c3c4ccccc4c(-c4cc5oc6ccccc6c5c5ccoc45)c4ccccc34)ccc2c1
InChIInChI=1S/C38H22O2/c1-2-10-24-21-25(18-17-23(24)9-1)35-26-11-3-5-13-28(26)36(29-14-6-4-12-27(29)35)32-22-34-37(31-19-20-39-38(31)32)30-15-7-8-16-33(30)40-34/h1-22H
InChIKeyGJRJGIGYVUQZNM-UHFFFAOYSA-N
XLogP11.13
TPSA26.28 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500510.59
LogP ≤ 511.13
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

4-(10-naphthalen-2-ylanthracen-9-yl)-[1]benzofuro[3,2-f][1]benzofuran
CID 176744210
5-(10-naphthalen-2-ylanthracen-9-yl)-[1]benzofuro[3,2-g][1]benzofuran
CID 176744892
4-[10-(2-phenylphenyl)anthracen-9-yl]-[1]benzofuro[5,4-b][1]benzofuran
CID 176743110
1-[2-(10-naphthalen-2-ylanthracen-9-yl)phenyl]dibenzofuran
CID 176862831
15-(10-naphthalen-2-ylanthracen-9-yl)-12,23-dioxahexacyclo[11.11.0.02,11.03,8.016,24.017,22]tetracosa-1(13),2(11),3,5,7,9,14,16(24),17,19,21-undecaene
CID 130190089
1-[6-(10-naphthalen-2-ylanthracen-9-yl)naphthalen-2-yl]dibenzofuran
CID 146651916
4-[4-(10-naphthalen-2-ylanthracen-9-yl)naphthalen-1-yl]naphtho[2,1-b][1]benzofuran
CID 122415609
9-[4-(10-naphthalen-2-ylanthracen-9-yl)naphthalen-1-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),16,18,20,23-undecaene
CID 130185432
4-(10-naphthalen-2-ylanthracen-9-yl)-9,14-dioxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
CID 167187041
1-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]dibenzofuran
CID 118563907
5-naphthalen-2-yl-10-(10-naphthalen-2-ylanthracen-9-yl)naphtho[2,1-b][1]benzofuran
CID 134487561
11-(10-naphthalen-2-ylanthracen-9-yl)-3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1,4,6,8,10,12,14,16,18-nonaene
CID 122425864

Frequently Asked Questions

What is the IUPAC name of 4-(10-naphthalen-2-ylanthracen-9-yl)-[1]benzofuro[5,4-b][1]benzofuran?
The IUPAC name of 4-(10-naphthalen-2-ylanthracen-9-yl)-[1]benzofuro[5,4-b][1]benzofuran (CID 176743706) is 4-(10-naphthalen-2-ylanthracen-9-yl)-[1]benzofuro[5,4-b][1]benzofuran.
What is the SMILES notation for 4-(10-naphthalen-2-ylanthracen-9-yl)-[1]benzofuro[5,4-b][1]benzofuran?
The canonical SMILES for 4-(10-naphthalen-2-ylanthracen-9-yl)-[1]benzofuro[5,4-b][1]benzofuran is c1ccc2cc(-c3c4ccccc4c(-c4cc5oc6ccccc6c5c5ccoc45)c4ccccc34)ccc2c1.
What is the InChIKey of 4-(10-naphthalen-2-ylanthracen-9-yl)-[1]benzofuro[5,4-b][1]benzofuran?
The InChIKey is GJRJGIGYVUQZNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H22O2/c1-2-10-24-21-25(18-17-23(24)9-1)35-26-11-3-5-13-28(26)36(29-14-6-4-12-27(29)35)32-22-34-37(31-19-20-39-38(31)32)30-15-7-8-16-33(30)40-34/h1-22H.
What are the key properties of 4-(10-naphthalen-2-ylanthracen-9-yl)-[1]benzofuro[5,4-b][1]benzofuran?
4-(10-naphthalen-2-ylanthracen-9-yl)-[1]benzofuro[5,4-b][1]benzofuran has a molecular weight of 510.59 g/mol, XLogP of 11.13, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(10-naphthalen-2-ylanthracen-9-yl)-[1]benzofuro[5,4-b][1]benzofuran is sourced from PubChem (CID 176743706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).