1-(2-methyl-10-naphthalen-1-ylanthracen-9-yl)dibenzothiophene

C37H24S — CID 59195925

IUPAC1-(2-methyl-10-naphthalen-1-ylanthracen-9-yl)dibenzothiophene
SMILESCc1ccc2c(-c3cccc4ccccc34)c3ccccc3c(-c3cccc4sc5ccccc5c34)c2c1
InChIInChI=1S/C37H24S/c1-23-20-21-29-32(22-23)36(31-17-9-19-34-37(31)30-15-6-7-18-33(30)38-34)28-14-5-4-13-27(28)35(29)26-16-8-11-24-10-2-3-12-25(24)26/h2-22H,1H3
InChIKeyHGZIZCPJTDJLLS-UHFFFAOYSA-N
MW500.67 g/mol
LogP11.16
Rot. Bonds2

About 1-(2-methyl-10-naphthalen-1-ylanthracen-9-yl)dibenzothiophene

1-(2-methyl-10-naphthalen-1-ylanthracen-9-yl)dibenzothiophene (PubChem CID 59195925) has the molecular formula C37H24S and a molecular weight of 500.67 g/mol. Its IUPAC name is 1-(2-methyl-10-naphthalen-1-ylanthracen-9-yl)dibenzothiophene.

Molecular Properties

Compound Name1-(2-methyl-10-naphthalen-1-ylanthracen-9-yl)dibenzothiophene
PubChem CID59195925
Molecular FormulaC37H24S
Molecular Weight500.67 g/mol
Exact Mass500.16
IUPAC Name1-(2-methyl-10-naphthalen-1-ylanthracen-9-yl)dibenzothiophene
SMILESCc1ccc2c(-c3cccc4ccccc34)c3ccccc3c(-c3cccc4sc5ccccc5c34)c2c1
InChIInChI=1S/C37H24S/c1-23-20-21-29-32(22-23)36(31-17-9-19-34-37(31)30-15-6-7-18-33(30)38-34)28-14-5-4-13-27(28)35(29)26-16-8-11-24-10-2-3-12-25(24)26/h2-22H,1H3
InChIKeyHGZIZCPJTDJLLS-UHFFFAOYSA-N
XLogP11.16
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500500.67
LogP ≤ 511.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

1-(2-methyl-10-phenanthren-9-ylanthracen-9-yl)dibenzothiophene
CID 59195819
6-(10-naphthalen-1-ylanthracen-9-yl)-9,14-dithiapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene
CID 122427237
10-(10-dibenzothiophen-1-ylanthracen-9-yl)naphtho[1,2-b][1]benzofuran
CID 122415638
6-[6-(10-naphthalen-1-ylanthracen-9-yl)naphthalen-2-yl]-9,14-dithiapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene
CID 122427490
N-(3-methylphenyl)-N-(1-naphthalen-1-ylnaphthalen-2-yl)dibenzothiophen-1-amine
CID 164774916
3-(10-naphthalen-1-ylanthracen-9-yl)-[1]benzothiolo[2,3-g][1]benzofuran
CID 176743760
18-(10-naphthalen-1-ylanthracen-9-yl)-9,22-dithiahexacyclo[11.11.0.02,10.03,8.015,23.016,21]tetracosa-1(24),2(10),3,5,7,11,13,15(23),16(21),17,19-undecaene
CID 163504489
2,6-bis(4-methylphenyl)-9,10-dinaphthalen-1-ylanthracene
CID 59766352
6-(10-naphthalen-1-ylanthracen-9-yl)-[1]benzothiolo[7,6-b][1]benzothiole
CID 176744116
6-[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]-9,20-dithiapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3(8),4,6,11,14,16,18-nonaene
CID 122427284
19-(10-naphthalen-1-ylanthracen-9-yl)-22-thiahexacyclo[12.11.0.02,7.08,13.015,23.016,21]pentacosa-1(14),2,4,6,8,10,12,15(23),16(21),17,19,24-dodecaene
CID 153472147
2-(6-methyl-9,10-dinaphthalen-1-ylanthracen-2-yl)-6-phenylpyridine
CID 59722146

Frequently Asked Questions

What is the IUPAC name of 1-(2-methyl-10-naphthalen-1-ylanthracen-9-yl)dibenzothiophene?
The IUPAC name of 1-(2-methyl-10-naphthalen-1-ylanthracen-9-yl)dibenzothiophene (CID 59195925) is 1-(2-methyl-10-naphthalen-1-ylanthracen-9-yl)dibenzothiophene.
What is the SMILES notation for 1-(2-methyl-10-naphthalen-1-ylanthracen-9-yl)dibenzothiophene?
The canonical SMILES for 1-(2-methyl-10-naphthalen-1-ylanthracen-9-yl)dibenzothiophene is Cc1ccc2c(-c3cccc4ccccc34)c3ccccc3c(-c3cccc4sc5ccccc5c34)c2c1.
What is the InChIKey of 1-(2-methyl-10-naphthalen-1-ylanthracen-9-yl)dibenzothiophene?
The InChIKey is HGZIZCPJTDJLLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H24S/c1-23-20-21-29-32(22-23)36(31-17-9-19-34-37(31)30-15-6-7-18-33(30)38-34)28-14-5-4-13-27(28)35(29)26-16-8-11-24-10-2-3-12-25(24)26/h2-22H,1H3.
What are the key properties of 1-(2-methyl-10-naphthalen-1-ylanthracen-9-yl)dibenzothiophene?
1-(2-methyl-10-naphthalen-1-ylanthracen-9-yl)dibenzothiophene has a molecular weight of 500.67 g/mol, XLogP of 11.16, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methyl-10-naphthalen-1-ylanthracen-9-yl)dibenzothiophene is sourced from PubChem (CID 59195925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).