6-(10-naphthalen-1-ylanthracen-9-yl)-[1]benzothiolo[4,5-b][1]benzofuran

C38H22OS — CID 176743719

IUPAC6-(10-naphthalen-1-ylanthracen-9-yl)-[1]benzothiolo[4,5-b][1]benzofuran
SMILESc1ccc2c(-c3c4ccccc4c(-c4cccc5oc6c7ccsc7ccc6c45)c4ccccc34)cccc2c1
InChIInChI=1S/C38H22OS/c1-2-11-24-23(9-1)10-7-16-25(24)35-26-12-3-5-14-28(26)36(29-15-6-4-13-27(29)35)31-17-8-18-33-37(31)32-19-20-34-30(21-22-40-34)38(32)39-33/h1-22H
InChIKeyGHJPNGVSSZFKLM-UHFFFAOYSA-N
MW526.66 g/mol
LogP11.59
Rot. Bonds2

About 6-(10-naphthalen-1-ylanthracen-9-yl)-[1]benzothiolo[4,5-b][1]benzofuran

6-(10-naphthalen-1-ylanthracen-9-yl)-[1]benzothiolo[4,5-b][1]benzofuran (PubChem CID 176743719) has the molecular formula C38H22OS and a molecular weight of 526.66 g/mol. Its IUPAC name is 6-(10-naphthalen-1-ylanthracen-9-yl)-[1]benzothiolo[4,5-b][1]benzofuran.

Molecular Properties

Compound Name6-(10-naphthalen-1-ylanthracen-9-yl)-[1]benzothiolo[4,5-b][1]benzofuran
PubChem CID176743719
Molecular FormulaC38H22OS
Molecular Weight526.66 g/mol
Exact Mass526.14
IUPAC Name6-(10-naphthalen-1-ylanthracen-9-yl)-[1]benzothiolo[4,5-b][1]benzofuran
SMILESc1ccc2c(-c3c4ccccc4c(-c4cccc5oc6c7ccsc7ccc6c45)c4ccccc34)cccc2c1
InChIInChI=1S/C38H22OS/c1-2-11-24-23(9-1)10-7-16-25(24)35-26-12-3-5-14-28(26)36(29-15-6-4-13-27(29)35)31-17-8-18-33-37(31)32-19-20-34-30(21-22-40-34)38(32)39-33/h1-22H
InChIKeyGHJPNGVSSZFKLM-UHFFFAOYSA-N
XLogP11.59
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500526.66
LogP ≤ 511.59
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

7-[10-[4-(2-naphthalen-1-ylphenyl)phenyl]anthracen-9-yl]naphtho[1,2-b][1]benzofuran
CID 174272834
1-[10-(4-naphthalen-1-ylphenyl)anthracen-9-yl]-6-phenyldibenzofuran
CID 176751774
6-naphthalen-1-yl-1-[10-[(2-naphthalen-1-ylphenyl)methyl]anthracen-9-yl]dibenzofuran
CID 167394382
9-naphthalen-1-yl-10-(1-naphtho[1,2-b][1]benzofuran-7-ylnaphthalen-2-yl)anthracene-1,2,3,4,5,6,7,8-octol
CID 163801049
7-[10-(4-phenylnaphthalen-2-yl)anthracen-9-yl]naphtho[1,2-b][1]benzofuran
CID 155205375
5-(10-naphthalen-1-ylanthracen-9-yl)naphtho[1,2-b][1]benzofuran
CID 88568856
1-(10-naphthalen-1-ylanthracen-9-yl)naphtho[2,3-b][1]benzofuran
CID 122415544
8-(10-naphthalen-1-yl-8-naphtho[2,1-b][1]benzofuran-8-ylanthracen-1-yl)naphtho[2,1-b][1]benzofuran
CID 155333434
7-(10-naphthalen-1-ylanthracen-9-yl)naphtho[1,2-b][1]benzofuran;7-(10-naphthalen-2-ylanthracen-9-yl)naphtho[1,2-b][1]benzofuran;7-[4-(10-phenylanthracen-9-yl)phenyl]naphtho[1,2-b][1]benzofuran;7-[10-(2-phenylphenyl)anthracen-9-yl]naphtho[1,2-b][1]benzofuran
CID 165076267
7-(4-phenylbenzo[a]anthracen-7-yl)naphtho[1,2-b][1]benzofuran
CID 177072224
7-(10-phenylanthracen-9-yl)-12-oxapentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3(8),4,6,9,14,16,18,20-decaene
CID 166831977
8-(10-dibenzothiophen-1-ylanthracen-9-yl)naphtho[2,1-b][1]benzofuran
CID 122426064

Frequently Asked Questions

What is the IUPAC name of 6-(10-naphthalen-1-ylanthracen-9-yl)-[1]benzothiolo[4,5-b][1]benzofuran?
The IUPAC name of 6-(10-naphthalen-1-ylanthracen-9-yl)-[1]benzothiolo[4,5-b][1]benzofuran (CID 176743719) is 6-(10-naphthalen-1-ylanthracen-9-yl)-[1]benzothiolo[4,5-b][1]benzofuran.
What is the SMILES notation for 6-(10-naphthalen-1-ylanthracen-9-yl)-[1]benzothiolo[4,5-b][1]benzofuran?
The canonical SMILES for 6-(10-naphthalen-1-ylanthracen-9-yl)-[1]benzothiolo[4,5-b][1]benzofuran is c1ccc2c(-c3c4ccccc4c(-c4cccc5oc6c7ccsc7ccc6c45)c4ccccc34)cccc2c1.
What is the InChIKey of 6-(10-naphthalen-1-ylanthracen-9-yl)-[1]benzothiolo[4,5-b][1]benzofuran?
The InChIKey is GHJPNGVSSZFKLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H22OS/c1-2-11-24-23(9-1)10-7-16-25(24)35-26-12-3-5-14-28(26)36(29-15-6-4-13-27(29)35)31-17-8-18-33-37(31)32-19-20-34-30(21-22-40-34)38(32)39-33/h1-22H.
What are the key properties of 6-(10-naphthalen-1-ylanthracen-9-yl)-[1]benzothiolo[4,5-b][1]benzofuran?
6-(10-naphthalen-1-ylanthracen-9-yl)-[1]benzothiolo[4,5-b][1]benzofuran has a molecular weight of 526.66 g/mol, XLogP of 11.59, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(10-naphthalen-1-ylanthracen-9-yl)-[1]benzothiolo[4,5-b][1]benzofuran is sourced from PubChem (CID 176743719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).