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

C38H22O2 — CID 176745442

IUPAC6-(10-naphthalen-2-ylanthracen-9-yl)-[1]benzofuro[6,5-b][1]benzofuran
SMILESc1ccc2cc(-c3c4ccccc4c(-c4ccc5oc6cc7occc7cc6c5c4)c4ccccc34)ccc2c1
InChIInChI=1S/C38H22O2/c1-2-8-24-19-26(14-13-23(24)7-1)37-28-9-3-5-11-30(28)38(31-12-6-4-10-29(31)37)27-15-16-34-32(21-27)33-20-25-17-18-39-35(25)22-36(33)40-34/h1-22H
InChIKeyKQVDOYJWHWFRQO-UHFFFAOYSA-N
MW510.59 g/mol
LogP11.13
Rot. Bonds2

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

6-(10-naphthalen-2-ylanthracen-9-yl)-[1]benzofuro[6,5-b][1]benzofuran (PubChem CID 176745442) has the molecular formula C38H22O2 and a molecular weight of 510.59 g/mol. Its IUPAC name is 6-(10-naphthalen-2-ylanthracen-9-yl)-[1]benzofuro[6,5-b][1]benzofuran.

Molecular Properties

Compound Name6-(10-naphthalen-2-ylanthracen-9-yl)-[1]benzofuro[6,5-b][1]benzofuran
PubChem CID176745442
Molecular FormulaC38H22O2
Molecular Weight510.59 g/mol
Exact Mass510.16
IUPAC Name6-(10-naphthalen-2-ylanthracen-9-yl)-[1]benzofuro[6,5-b][1]benzofuran
SMILESc1ccc2cc(-c3c4ccccc4c(-c4ccc5oc6cc7occc7cc6c5c4)c4ccccc34)ccc2c1
InChIInChI=1S/C38H22O2/c1-2-8-24-19-26(14-13-23(24)7-1)37-28-9-3-5-11-30(28)38(31-12-6-4-10-29(31)37)27-15-16-34-32(21-27)33-20-25-17-18-39-35(25)22-36(33)40-34/h1-22H
InChIKeyKQVDOYJWHWFRQO-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

2-(2-naphthalen-2-yl-10-naphtho[2,3-b][1]benzofuran-2-ylanthracen-9-yl)naphtho[2,3-b][1]benzofuran
CID 118402714
2-[3-[10-(4-naphthalen-2-ylphenyl)anthracen-9-yl]phenyl]naphtho[2,3-b][1]benzofuran;2-[3-[10-(3-phenylphenyl)anthracen-9-yl]phenyl]naphtho[2,3-b][1]benzofuran
CID 160681067
CID 165025337
CID 165025337
2-[10-(4-naphthalen-2-ylnaphthalen-1-yl)anthracen-9-yl]naphtho[2,3-b][1]benzofuran
CID 90433498
2-[3-(10-naphthalen-2-ylanthracen-9-yl)naphthalen-1-yl]naphtho[2,3-b][1]benzofuran
CID 146652604
2-phenyl-9-(10-phenylanthracen-9-yl)naphtho[2,3-b][1]benzofuran
CID 146606986
5-(10-naphthalen-2-ylanthracen-9-yl)-[1]benzofuro[5,6-b][1]benzofuran
CID 176743846
2-(10-naphthalen-2-ylanthracen-9-yl)-8-phenanthren-2-yldibenzofuran
CID 58194354
6-(10-naphthalen-2-ylanthracen-9-yl)-1-phenyl-[1]benzofuro[5,6-b][1]benzofuran
CID 176742770
2-(10-naphthalen-1-ylanthracen-9-yl)naphtho[2,3-b][1]benzofuran;2-(10-naphthalen-2-ylanthracen-9-yl)naphtho[2,3-b][1]benzofuran;2-(10-phenylanthracen-9-yl)naphtho[2,3-b][1]benzofuran
CID 161091180
7-[4-(10-dibenzofuran-2-ylanthracen-9-yl)phenyl]-12-oxapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaene
CID 130188835
2-[4-(10-dibenzofuran-3-ylanthracen-9-yl)phenyl]-7-(10-naphthalen-2-ylanthracen-9-yl)dibenzofuran
CID 174315687

Frequently Asked Questions

What is the IUPAC name of 6-(10-naphthalen-2-ylanthracen-9-yl)-[1]benzofuro[6,5-b][1]benzofuran?
The IUPAC name of 6-(10-naphthalen-2-ylanthracen-9-yl)-[1]benzofuro[6,5-b][1]benzofuran (CID 176745442) is 6-(10-naphthalen-2-ylanthracen-9-yl)-[1]benzofuro[6,5-b][1]benzofuran.
What is the SMILES notation for 6-(10-naphthalen-2-ylanthracen-9-yl)-[1]benzofuro[6,5-b][1]benzofuran?
The canonical SMILES for 6-(10-naphthalen-2-ylanthracen-9-yl)-[1]benzofuro[6,5-b][1]benzofuran is c1ccc2cc(-c3c4ccccc4c(-c4ccc5oc6cc7occc7cc6c5c4)c4ccccc34)ccc2c1.
What is the InChIKey of 6-(10-naphthalen-2-ylanthracen-9-yl)-[1]benzofuro[6,5-b][1]benzofuran?
The InChIKey is KQVDOYJWHWFRQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H22O2/c1-2-8-24-19-26(14-13-23(24)7-1)37-28-9-3-5-11-30(28)38(31-12-6-4-10-29(31)37)27-15-16-34-32(21-27)33-20-25-17-18-39-35(25)22-36(33)40-34/h1-22H.
What are the key properties of 6-(10-naphthalen-2-ylanthracen-9-yl)-[1]benzofuro[6,5-b][1]benzofuran?
6-(10-naphthalen-2-ylanthracen-9-yl)-[1]benzofuro[6,5-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 6-(10-naphthalen-2-ylanthracen-9-yl)-[1]benzofuro[6,5-b][1]benzofuran is sourced from PubChem (CID 176745442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).