5-(10-naphthalen-2-ylanthracen-9-yl)-[1]benzofuro[3,2-g][1]benzofuran

C38H22O2 — CID 176744892

IUPAC5-(10-naphthalen-2-ylanthracen-9-yl)-[1]benzofuro[3,2-g][1]benzofuran
SMILESc1ccc2cc(-c3c4ccccc4c(-c4cc5ccoc5c5oc6ccccc6c45)c4ccccc34)ccc2c1
InChIInChI=1S/C38H22O2/c1-2-10-24-21-25(18-17-23(24)9-1)34-27-11-3-5-13-29(27)35(30-14-6-4-12-28(30)34)32-22-26-19-20-39-37(26)38-36(32)31-15-7-8-16-33(31)40-38/h1-22H
InChIKeyMJPRXABKYZWEFV-UHFFFAOYSA-N
MW510.59 g/mol
LogP11.13
Rot. Bonds2

About 5-(10-naphthalen-2-ylanthracen-9-yl)-[1]benzofuro[3,2-g][1]benzofuran

5-(10-naphthalen-2-ylanthracen-9-yl)-[1]benzofuro[3,2-g][1]benzofuran (PubChem CID 176744892) has the molecular formula C38H22O2 and a molecular weight of 510.59 g/mol. Its IUPAC name is 5-(10-naphthalen-2-ylanthracen-9-yl)-[1]benzofuro[3,2-g][1]benzofuran.

Molecular Properties

Compound Name5-(10-naphthalen-2-ylanthracen-9-yl)-[1]benzofuro[3,2-g][1]benzofuran
PubChem CID176744892
Molecular FormulaC38H22O2
Molecular Weight510.59 g/mol
Exact Mass510.16
IUPAC Name5-(10-naphthalen-2-ylanthracen-9-yl)-[1]benzofuro[3,2-g][1]benzofuran
SMILESc1ccc2cc(-c3c4ccccc4c(-c4cc5ccoc5c5oc6ccccc6c45)c4ccccc34)ccc2c1
InChIInChI=1S/C38H22O2/c1-2-10-24-21-25(18-17-23(24)9-1)34-27-11-3-5-13-29(27)35(30-14-6-4-12-28(30)34)32-22-26-19-20-39-37(26)38-36(32)31-15-7-8-16-33(31)40-38/h1-22H
InChIKeyMJPRXABKYZWEFV-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

5-(10-phenylanthracen-9-yl)-[1]benzofuro[3,2-g][1]benzofuran
CID 176744949
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
4-(10-naphthalen-2-ylanthracen-9-yl)-[1]benzofuro[5,4-b][1]benzofuran
CID 176743706
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
3-[10-([1]benzofuro[3,2-g][1]benzofuran-5-yl)anthracen-9-yl]-9-phenylcarbazole
CID 176746053
1-(10-naphthalen-2-ylanthracen-9-yl)-3-phenyldibenzofuran;1-(10-naphthalen-2-ylanthracen-9-yl)-4-phenyldibenzofuran;3-naphthalen-2-yl-1-(10-naphthalen-2-ylanthracen-9-yl)dibenzofuran
CID 158475417
12-[4-(10-naphthalen-2-ylanthracen-9-yl)naphthalen-1-yl]-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4,6,8,11,15,17,19-nonaene
CID 88568808
1-[2-(10-naphthalen-2-ylanthracen-9-yl)phenyl]dibenzofuran
CID 176862831
6-(10-naphthalen-2-ylanthracen-9-yl)-21-(10-phenylanthracen-9-yl)-3,24-dioxahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4(9),5,7,11,13,15,18(23),19,21-undecaene
CID 59182812
1-[4-[10-(6-deuterionaphthalen-2-yl)anthracen-9-yl]phenyl]-4-(4-deuteriophenyl)dibenzofuran
CID 171449624
1-[10-(3,5-diphenylphenyl)anthracen-9-yl]-3-phenyldibenzofuran;3-naphthalen-2-yl-1-[10-(4-phenylphenyl)anthracen-9-yl]dibenzofuran;4-phenyl-1-[10-(3-phenylphenyl)anthracen-9-yl]dibenzofuran
CID 160759969
11-(10-phenylanthracen-9-yl)-3,24-dioxahexacyclo[11.11.0.02,10.04,9.014,23.016,21]tetracosa-1,4,6,8,10,12,14,16,18,20,22-undecaene
CID 130190049

Frequently Asked Questions

What is the IUPAC name of 5-(10-naphthalen-2-ylanthracen-9-yl)-[1]benzofuro[3,2-g][1]benzofuran?
The IUPAC name of 5-(10-naphthalen-2-ylanthracen-9-yl)-[1]benzofuro[3,2-g][1]benzofuran (CID 176744892) is 5-(10-naphthalen-2-ylanthracen-9-yl)-[1]benzofuro[3,2-g][1]benzofuran.
What is the SMILES notation for 5-(10-naphthalen-2-ylanthracen-9-yl)-[1]benzofuro[3,2-g][1]benzofuran?
The canonical SMILES for 5-(10-naphthalen-2-ylanthracen-9-yl)-[1]benzofuro[3,2-g][1]benzofuran is c1ccc2cc(-c3c4ccccc4c(-c4cc5ccoc5c5oc6ccccc6c45)c4ccccc34)ccc2c1.
What is the InChIKey of 5-(10-naphthalen-2-ylanthracen-9-yl)-[1]benzofuro[3,2-g][1]benzofuran?
The InChIKey is MJPRXABKYZWEFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H22O2/c1-2-10-24-21-25(18-17-23(24)9-1)34-27-11-3-5-13-29(27)35(30-14-6-4-12-28(30)34)32-22-26-19-20-39-37(26)38-36(32)31-15-7-8-16-33(31)40-38/h1-22H.
What are the key properties of 5-(10-naphthalen-2-ylanthracen-9-yl)-[1]benzofuro[3,2-g][1]benzofuran?
5-(10-naphthalen-2-ylanthracen-9-yl)-[1]benzofuro[3,2-g][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 5-(10-naphthalen-2-ylanthracen-9-yl)-[1]benzofuro[3,2-g][1]benzofuran is sourced from PubChem (CID 176744892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).