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

C37H24S — CID 59195540

IUPAC2-(2-methyl-10-naphthalen-2-ylanthracen-9-yl)dibenzothiophene
SMILESCc1ccc2c(-c3ccc4ccccc4c3)c3ccccc3c(-c3ccc4sc5ccccc5c4c3)c2c1
InChIInChI=1S/C37H24S/c1-23-14-18-31-33(20-23)37(27-17-19-35-32(22-27)28-10-6-7-13-34(28)38-35)30-12-5-4-11-29(30)36(31)26-16-15-24-8-2-3-9-25(24)21-26/h2-22H,1H3
InChIKeyOVYRQHVPLGYYCL-UHFFFAOYSA-N
MW500.67 g/mol
LogP11.16
Rot. Bonds2

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

2-(2-methyl-10-naphthalen-2-ylanthracen-9-yl)dibenzothiophene (PubChem CID 59195540) has the molecular formula C37H24S and a molecular weight of 500.67 g/mol. Its IUPAC name is 2-(2-methyl-10-naphthalen-2-ylanthracen-9-yl)dibenzothiophene.

Molecular Properties

Compound Name2-(2-methyl-10-naphthalen-2-ylanthracen-9-yl)dibenzothiophene
PubChem CID59195540
Molecular FormulaC37H24S
Molecular Weight500.67 g/mol
Exact Mass500.16
IUPAC Name2-(2-methyl-10-naphthalen-2-ylanthracen-9-yl)dibenzothiophene
SMILESCc1ccc2c(-c3ccc4ccccc4c3)c3ccccc3c(-c3ccc4sc5ccccc5c4c3)c2c1
InChIInChI=1S/C37H24S/c1-23-14-18-31-33(20-23)37(27-17-19-35-32(22-27)28-10-6-7-13-34(28)38-35)30-12-5-4-11-29(30)36(31)26-16-15-24-8-2-3-9-25(24)21-26/h2-22H,1H3
InChIKeyOVYRQHVPLGYYCL-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

6-(10-naphthalen-2-ylanthracen-9-yl)-10,14-dithiapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15,17,19-nonaene
CID 122427429
7-(10-naphthalen-2-ylanthracen-9-yl)-10,20-dithiapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14,16,18-nonaene
CID 122415909
2-methyl-9-naphthalen-1-yl-10-(4-phenylphenyl)anthracene;2-[10-(4-naphthalen-1-ylphenyl)anthracen-9-yl]dibenzofuran;2-[10-(4-naphthalen-2-ylphenyl)anthracen-9-yl]dibenzofuran;2-[10-(4-naphthalen-1-ylphenyl)anthracen-9-yl]dibenzothiophene;2-[10-(4-phenylphenyl)anthracen-9-yl]dibenzofuran
CID 165035100
9-(6-carbazol-9-yl-9-dibenzothiophen-2-yl-10-naphthalen-2-ylanthracen-2-yl)carbazole
CID 59220859
2-(1,2,3,4,5,6,7,8-octadeuterio-10-naphthalen-2-ylanthracen-9-yl)dibenzothiophene
CID 176777625
18-[6-(10-naphthalen-2-ylanthracen-9-yl)naphthalen-2-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 163943562
3-(10-naphthalen-2-ylanthracen-9-yl)naphtho[2,1-b][1]benzothiole
CID 122415548
2-[10-(9,9-dimethylfluoren-2-yl)-3-methylanthracen-9-yl]dibenzothiophene
CID 59196182
7-[3-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-10,14-dithiapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15,17,19-nonaene
CID 122427036
2-methyl-9-naphthalen-2-yl-10-(3-phenylphenyl)anthracene;2-methyl-10-naphthalen-2-yl-9-(4-phenylphenyl)anthracene
CID 91522286
2,8-dinaphthalen-2-yldibenzothiophene
CID 58971417
3-(8-dibenzothiophen-3-yl-5-naphthalen-2-yl-6,10-diphenylbenzo[a]tetracen-13-yl)dibenzothiophene
CID 89178110

Frequently Asked Questions

What is the IUPAC name of 2-(2-methyl-10-naphthalen-2-ylanthracen-9-yl)dibenzothiophene?
The IUPAC name of 2-(2-methyl-10-naphthalen-2-ylanthracen-9-yl)dibenzothiophene (CID 59195540) is 2-(2-methyl-10-naphthalen-2-ylanthracen-9-yl)dibenzothiophene.
What is the SMILES notation for 2-(2-methyl-10-naphthalen-2-ylanthracen-9-yl)dibenzothiophene?
The canonical SMILES for 2-(2-methyl-10-naphthalen-2-ylanthracen-9-yl)dibenzothiophene is Cc1ccc2c(-c3ccc4ccccc4c3)c3ccccc3c(-c3ccc4sc5ccccc5c4c3)c2c1.
What is the InChIKey of 2-(2-methyl-10-naphthalen-2-ylanthracen-9-yl)dibenzothiophene?
The InChIKey is OVYRQHVPLGYYCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H24S/c1-23-14-18-31-33(20-23)37(27-17-19-35-32(22-27)28-10-6-7-13-34(28)38-35)30-12-5-4-11-29(30)36(31)26-16-15-24-8-2-3-9-25(24)21-26/h2-22H,1H3.
What are the key properties of 2-(2-methyl-10-naphthalen-2-ylanthracen-9-yl)dibenzothiophene?
2-(2-methyl-10-naphthalen-2-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 2-(2-methyl-10-naphthalen-2-ylanthracen-9-yl)dibenzothiophene is sourced from PubChem (CID 59195540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).