dibenzothiophen-2-yl-[4-(9,9-dimethylacridin-10-yl)phenyl]methanone

C34H25NOS — CID 147737150

IUPACdibenzothiophen-2-yl-[4-(9,9-dimethylacridin-10-yl)phenyl]methanone
SMILESCC1(C)c2ccccc2N(c2ccc(C(=O)c3ccc4sc5ccccc5c4c3)cc2)c2ccccc21
InChIInChI=1S/C34H25NOS/c1-34(2)27-10-4-6-12-29(27)35(30-13-7-5-11-28(30)34)24-18-15-22(16-19-24)33(36)23-17-20-32-26(21-23)25-9-3-8-14-31(25)37-32/h3-21H,1-2H3
InChIKeyGZPASEADMSQMAJ-UHFFFAOYSA-N
MW495.65 g/mol
LogP9.39
Rot. Bonds3

About dibenzothiophen-2-yl-[4-(9,9-dimethylacridin-10-yl)phenyl]methanone

dibenzothiophen-2-yl-[4-(9,9-dimethylacridin-10-yl)phenyl]methanone (PubChem CID 147737150) has the molecular formula C34H25NOS and a molecular weight of 495.65 g/mol. Its IUPAC name is dibenzothiophen-2-yl-[4-(9,9-dimethylacridin-10-yl)phenyl]methanone.

Molecular Properties

Compound Namedibenzothiophen-2-yl-[4-(9,9-dimethylacridin-10-yl)phenyl]methanone
PubChem CID147737150
Molecular FormulaC34H25NOS
Molecular Weight495.65 g/mol
Exact Mass495.17
IUPAC Namedibenzothiophen-2-yl-[4-(9,9-dimethylacridin-10-yl)phenyl]methanone
SMILESCC1(C)c2ccccc2N(c2ccc(C(=O)c3ccc4sc5ccccc5c4c3)cc2)c2ccccc21
InChIInChI=1S/C34H25NOS/c1-34(2)27-10-4-6-12-29(27)35(30-13-7-5-11-28(30)34)24-18-15-22(16-19-24)33(36)23-17-20-32-26(21-23)25-9-3-8-14-31(25)37-32/h3-21H,1-2H3
InChIKeyGZPASEADMSQMAJ-UHFFFAOYSA-N
XLogP9.39
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500495.65
LogP ≤ 59.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[3,5-bis[4-(9,9-dimethylacridin-10-yl)benzoyl]phenyl]-[4-(9,9-dimethylacridin-10-yl)phenyl]methanone
CID 121420430
14-[5-(21,21-dimethyl-10-thia-14-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaen-14-yl)naphthalen-1-yl]-21,21-dimethyl-10-thia-14-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene
CID 139459758
8-[8-(14,14-dimethyl-1,8-diazapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-8-yl)dibenzothiophen-2-yl]-14,14-dimethyl-1,8-diazapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene
CID 118443229
2-[9-(4-dibenzothiophen-2-ylphenyl)carbazol-3-yl]-9,9-dimethyl-10-phenylacridine
CID 70936057
14-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-21,21-dimethyl-10-thia-14-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene
CID 148941843
[2-(dibenzothiophene-2-carbonyl)phenyl]-(4-methylphenyl)methanone
CID 71619385
14-[10-(21,21-dimethyl-10-thia-14-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaen-14-yl)-2,7-dimethylanthracen-9-yl]-21,21-dimethyl-10-thia-14-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene
CID 139459724
10-[6-(21,21-dimethyl-10-thia-14-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaen-14-yl)-9,10-diphenylanthracen-2-yl]phenoxazine
CID 146213013
6-tert-butyl-2-[4-(21,21-dimethyl-10-thia-14-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaen-14-yl)phenyl]-10,10-dimethylanthracen-9-one
CID 146175892
14-[4-(4-dibenzothiophen-2-ylphenyl)phenyl]-10,10,21,21-tetramethyl-14-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4(9),7,11,15,17,19-octaene
CID 130450823
[2,5-bis[4-(9,9-dimethylacridin-10-yl)phenyl]-4-methylphenyl]-(4-methylphenyl)methanone
CID 145320537
10-[3-(3-dibenzothiophen-2-ylphenyl)phenyl]-9,9-dimethyl-2,7-diphenylacridine
CID 71003882

Frequently Asked Questions

What is the IUPAC name of dibenzothiophen-2-yl-[4-(9,9-dimethylacridin-10-yl)phenyl]methanone?
The IUPAC name of dibenzothiophen-2-yl-[4-(9,9-dimethylacridin-10-yl)phenyl]methanone (CID 147737150) is dibenzothiophen-2-yl-[4-(9,9-dimethylacridin-10-yl)phenyl]methanone.
What is the SMILES notation for dibenzothiophen-2-yl-[4-(9,9-dimethylacridin-10-yl)phenyl]methanone?
The canonical SMILES for dibenzothiophen-2-yl-[4-(9,9-dimethylacridin-10-yl)phenyl]methanone is CC1(C)c2ccccc2N(c2ccc(C(=O)c3ccc4sc5ccccc5c4c3)cc2)c2ccccc21.
What is the InChIKey of dibenzothiophen-2-yl-[4-(9,9-dimethylacridin-10-yl)phenyl]methanone?
The InChIKey is GZPASEADMSQMAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H25NOS/c1-34(2)27-10-4-6-12-29(27)35(30-13-7-5-11-28(30)34)24-18-15-22(16-19-24)33(36)23-17-20-32-26(21-23)25-9-3-8-14-31(25)37-32/h3-21H,1-2H3.
What are the key properties of dibenzothiophen-2-yl-[4-(9,9-dimethylacridin-10-yl)phenyl]methanone?
dibenzothiophen-2-yl-[4-(9,9-dimethylacridin-10-yl)phenyl]methanone has a molecular weight of 495.65 g/mol, XLogP of 9.39, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for dibenzothiophen-2-yl-[4-(9,9-dimethylacridin-10-yl)phenyl]methanone is sourced from PubChem (CID 147737150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).