8-(10-dibenzothiophen-1-ylanthracen-9-yl)naphtho[2,1-b][1]benzofuran

C42H24OS — CID 122426064

IUPAC8-(10-dibenzothiophen-1-ylanthracen-9-yl)naphtho[2,1-b][1]benzofuran
SMILESc1ccc2c(c1)ccc1oc3c(-c4c5ccccc5c(-c5cccc6sc7ccccc7c56)c5ccccc45)cccc3c12
InChIInChI=1S/C42H24OS/c1-2-12-26-25(11-1)23-24-35-40(26)34-20-9-19-33(42(34)43-35)39-29-15-5-3-13-27(29)38(28-14-4-6-16-30(28)39)32-18-10-22-37-41(32)31-17-7-8-21-36(31)44-37/h1-24H
InChIKeyHUSJBNAVLVCWEW-UHFFFAOYSA-N
MW576.72 g/mol
LogP12.75
Rot. Bonds2

About 8-(10-dibenzothiophen-1-ylanthracen-9-yl)naphtho[2,1-b][1]benzofuran

8-(10-dibenzothiophen-1-ylanthracen-9-yl)naphtho[2,1-b][1]benzofuran (PubChem CID 122426064) has the molecular formula C42H24OS and a molecular weight of 576.72 g/mol. Its IUPAC name is 8-(10-dibenzothiophen-1-ylanthracen-9-yl)naphtho[2,1-b][1]benzofuran.

Molecular Properties

Compound Name8-(10-dibenzothiophen-1-ylanthracen-9-yl)naphtho[2,1-b][1]benzofuran
PubChem CID122426064
Molecular FormulaC42H24OS
Molecular Weight576.72 g/mol
Exact Mass576.15
IUPAC Name8-(10-dibenzothiophen-1-ylanthracen-9-yl)naphtho[2,1-b][1]benzofuran
SMILESc1ccc2c(c1)ccc1oc3c(-c4c5ccccc5c(-c5cccc6sc7ccccc7c56)c5ccccc45)cccc3c12
InChIInChI=1S/C42H24OS/c1-2-12-26-25(11-1)23-24-35-40(26)34-20-9-19-33(42(34)43-35)39-29-15-5-3-13-27(29)38(28-14-4-6-16-30(28)39)32-18-10-22-37-41(32)31-17-7-8-21-36(31)44-37/h1-24H
InChIKeyHUSJBNAVLVCWEW-UHFFFAOYSA-N
XLogP12.75
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500576.72
LogP ≤ 512.75
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

10-(10-dibenzothiophen-1-ylanthracen-9-yl)naphtho[1,2-b][1]benzofuran
CID 122415638
N-(2-naphtho[2,1-b][1]benzofuran-8-yl-3-phenylphenyl)-N-(4-phenylphenyl)dibenzothiophen-1-amine
CID 170665977
7-(10-dibenzothiophen-2-ylanthracen-9-yl)-9-oxa-14-thiapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene
CID 153314398
8-(10-naphthalen-1-yl-8-naphtho[2,1-b][1]benzofuran-8-ylanthracen-1-yl)naphtho[2,1-b][1]benzofuran
CID 155333434
2,6-bis(10-dibenzothiophen-1-ylanthracen-9-yl)dibenzofuran;2,6-bis(10-dibenzothiophen-2-ylanthracen-9-yl)dibenzofuran;2,6-bis(10-dibenzothiophen-3-ylanthracen-9-yl)dibenzofuran;2,6-bis(10-dibenzothiophen-4-ylanthracen-9-yl)dibenzofuran;8-[10-[6-(10-naphtho[1,2-b][1]benzofuran-8-ylanthracen-9-yl)dibenzofuran-2-yl]anthracen-9-yl]naphtho[1,2-b][1]benzofuran
CID 162050752
14-[3-(10-phenylanthracen-9-yl)phenyl]-12-oxa-22-thiahexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(24),2(11),3,5,7,9,13,15(23),16,18,20-undecaene
CID 130190537
18-[6-(10-naphthalen-1-ylanthracen-9-yl)naphthalen-2-yl]-14-oxa-9-thiahexacyclo[11.11.0.02,10.03,8.015,24.016,21]tetracosa-1(13),2(10),3,5,7,11,15(24),16(21),17,19,22-undecaene
CID 130185790
2-(10-dibenzothiophen-1-ylanthracen-9-yl)-[1]benzofuro[7,6-b][1]benzofuran
CID 176744690
2-(10-naphthalen-1-ylanthracen-9-yl)-[1]benzothiolo[2,3-g][1]benzofuran
CID 176744318
N-(4-dibenzothiophen-4-ylphenyl)-4-naphtho[2,1-b][1]benzofuran-8-yl-N-phenylaniline
CID 170033343
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
1-(2-methyl-10-naphthalen-1-ylanthracen-9-yl)dibenzothiophene
CID 59195925

Frequently Asked Questions

What is the IUPAC name of 8-(10-dibenzothiophen-1-ylanthracen-9-yl)naphtho[2,1-b][1]benzofuran?
The IUPAC name of 8-(10-dibenzothiophen-1-ylanthracen-9-yl)naphtho[2,1-b][1]benzofuran (CID 122426064) is 8-(10-dibenzothiophen-1-ylanthracen-9-yl)naphtho[2,1-b][1]benzofuran.
What is the SMILES notation for 8-(10-dibenzothiophen-1-ylanthracen-9-yl)naphtho[2,1-b][1]benzofuran?
The canonical SMILES for 8-(10-dibenzothiophen-1-ylanthracen-9-yl)naphtho[2,1-b][1]benzofuran is c1ccc2c(c1)ccc1oc3c(-c4c5ccccc5c(-c5cccc6sc7ccccc7c56)c5ccccc45)cccc3c12.
What is the InChIKey of 8-(10-dibenzothiophen-1-ylanthracen-9-yl)naphtho[2,1-b][1]benzofuran?
The InChIKey is HUSJBNAVLVCWEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H24OS/c1-2-12-26-25(11-1)23-24-35-40(26)34-20-9-19-33(42(34)43-35)39-29-15-5-3-13-27(29)38(28-14-4-6-16-30(28)39)32-18-10-22-37-41(32)31-17-7-8-21-36(31)44-37/h1-24H.
What are the key properties of 8-(10-dibenzothiophen-1-ylanthracen-9-yl)naphtho[2,1-b][1]benzofuran?
8-(10-dibenzothiophen-1-ylanthracen-9-yl)naphtho[2,1-b][1]benzofuran has a molecular weight of 576.72 g/mol, XLogP of 12.75, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(10-dibenzothiophen-1-ylanthracen-9-yl)naphtho[2,1-b][1]benzofuran is sourced from PubChem (CID 122426064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).