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

C38H22O2 — CID 176743846

IUPAC5-(10-naphthalen-2-ylanthracen-9-yl)-[1]benzofuro[5,6-b][1]benzofuran
SMILESc1ccc2cc(-c3c4ccccc4c(-c4cccc5oc6cc7ccoc7cc6c45)c4ccccc34)ccc2c1
InChIInChI=1S/C38H22O2/c1-2-9-24-20-26(17-16-23(24)8-1)36-27-10-3-5-12-29(27)37(30-13-6-4-11-28(30)36)31-14-7-15-33-38(31)32-22-34-25(18-19-39-34)21-35(32)40-33/h1-22H
InChIKeyDMAGHLVWBQYDST-UHFFFAOYSA-N
MW510.59 g/mol
LogP11.13
Rot. Bonds2

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

5-(10-naphthalen-2-ylanthracen-9-yl)-[1]benzofuro[5,6-b][1]benzofuran (PubChem CID 176743846) 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[5,6-b][1]benzofuran.

Molecular Properties

Compound Name5-(10-naphthalen-2-ylanthracen-9-yl)-[1]benzofuro[5,6-b][1]benzofuran
PubChem CID176743846
Molecular FormulaC38H22O2
Molecular Weight510.59 g/mol
Exact Mass510.16
IUPAC Name5-(10-naphthalen-2-ylanthracen-9-yl)-[1]benzofuro[5,6-b][1]benzofuran
SMILESc1ccc2cc(-c3c4ccccc4c(-c4cccc5oc6cc7ccoc7cc6c45)c4ccccc34)ccc2c1
InChIInChI=1S/C38H22O2/c1-2-9-24-20-26(17-16-23(24)8-1)36-27-10-3-5-12-29(27)37(30-13-6-4-11-28(30)36)31-14-7-15-33-38(31)32-22-34-25(18-19-39-34)21-35(32)40-33/h1-22H
InChIKeyDMAGHLVWBQYDST-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

8-[9-naphtho[2,3-b][1]benzofuran-1-yl-10-(7-phenylnaphthalen-2-yl)anthracen-2-yl]-1-[10-(7-phenylnaphthalen-1-yl)anthracen-9-yl]naphtho[2,3-b][1]benzofuran
CID 167077098
1-[10-(3,4-diphenylphenyl)anthracen-9-yl]naphtho[2,3-b][1]benzofuran
CID 155203981
6-(10-naphthalen-2-ylanthracen-9-yl)-[1]benzofuro[6,5-b][1]benzofuran
CID 176745442
1-[2-(10-naphthalen-2-ylanthracen-9-yl)phenyl]dibenzofuran
CID 176862831
1-[3-(10-naphtho[2,3-b][1]benzofuran-9-ylanthracen-9-yl)phenyl]naphtho[2,3-b][1]benzofuran
CID 164779522
1-[6-(10-naphthalen-2-ylanthracen-9-yl)naphthalen-2-yl]dibenzofuran
CID 146651916
7-(10-dibenzofuran-4-ylanthracen-9-yl)-[1]benzofuro[5,6-b][1]benzofuran
CID 176746173
1-[10-(6-deuterionaphthalen-2-yl)anthracen-9-yl]dibenzofuran
CID 170653754
1-[10-[7-[7-(10-phenylanthracen-9-yl)naphthalen-2-yl]naphthalen-2-yl]anthracen-9-yl]dibenzofuran
CID 170448220
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
7-(10-dibenzofuran-1-ylanthracen-9-yl)-1-naphthalen-2-yl-[1]benzofuro[5,6-b][1]benzofuran
CID 176745557

Frequently Asked Questions

What is the IUPAC name of 5-(10-naphthalen-2-ylanthracen-9-yl)-[1]benzofuro[5,6-b][1]benzofuran?
The IUPAC name of 5-(10-naphthalen-2-ylanthracen-9-yl)-[1]benzofuro[5,6-b][1]benzofuran (CID 176743846) is 5-(10-naphthalen-2-ylanthracen-9-yl)-[1]benzofuro[5,6-b][1]benzofuran.
What is the SMILES notation for 5-(10-naphthalen-2-ylanthracen-9-yl)-[1]benzofuro[5,6-b][1]benzofuran?
The canonical SMILES for 5-(10-naphthalen-2-ylanthracen-9-yl)-[1]benzofuro[5,6-b][1]benzofuran is c1ccc2cc(-c3c4ccccc4c(-c4cccc5oc6cc7ccoc7cc6c45)c4ccccc34)ccc2c1.
What is the InChIKey of 5-(10-naphthalen-2-ylanthracen-9-yl)-[1]benzofuro[5,6-b][1]benzofuran?
The InChIKey is DMAGHLVWBQYDST-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H22O2/c1-2-9-24-20-26(17-16-23(24)8-1)36-27-10-3-5-12-29(27)37(30-13-6-4-11-28(30)36)31-14-7-15-33-38(31)32-22-34-25(18-19-39-34)21-35(32)40-33/h1-22H.
What are the key properties of 5-(10-naphthalen-2-ylanthracen-9-yl)-[1]benzofuro[5,6-b][1]benzofuran?
5-(10-naphthalen-2-ylanthracen-9-yl)-[1]benzofuro[5,6-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 5-(10-naphthalen-2-ylanthracen-9-yl)-[1]benzofuro[5,6-b][1]benzofuran is sourced from PubChem (CID 176743846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).