2-(9,9-dimethylthioxanthen-2-yl)-9,9-dimethyl-10-(3-phenylphenyl)acridine

C42H35NS — CID 142356251

IUPAC2-(9,9-dimethylthioxanthen-2-yl)-9,9-dimethyl-10-(3-phenylphenyl)acridine
SMILESCC1(C)c2ccccc2Sc2ccc(-c3ccc4c(c3)C(C)(C)c3ccccc3N4c3cccc(-c4ccccc4)c3)cc21
InChIInChI=1S/C42H35NS/c1-41(2)33-17-8-10-19-37(33)43(32-16-12-15-29(25-32)28-13-6-5-7-14-28)38-23-21-30(26-35(38)41)31-22-24-40-36(27-31)42(3,4)34-18-9-11-20-39(34)44-40/h5-27H,1-4H3
InChIKeyAYLWRWIHQZCUCZ-UHFFFAOYSA-N
MW585.82 g/mol
LogP11.92
Rot. Bonds3

About 2-(9,9-dimethylthioxanthen-2-yl)-9,9-dimethyl-10-(3-phenylphenyl)acridine

2-(9,9-dimethylthioxanthen-2-yl)-9,9-dimethyl-10-(3-phenylphenyl)acridine (PubChem CID 142356251) has the molecular formula C42H35NS and a molecular weight of 585.82 g/mol. Its IUPAC name is 2-(9,9-dimethylthioxanthen-2-yl)-9,9-dimethyl-10-(3-phenylphenyl)acridine.

Molecular Properties

Compound Name2-(9,9-dimethylthioxanthen-2-yl)-9,9-dimethyl-10-(3-phenylphenyl)acridine
PubChem CID142356251
Molecular FormulaC42H35NS
Molecular Weight585.82 g/mol
Exact Mass585.25
IUPAC Name2-(9,9-dimethylthioxanthen-2-yl)-9,9-dimethyl-10-(3-phenylphenyl)acridine
SMILESCC1(C)c2ccccc2Sc2ccc(-c3ccc4c(c3)C(C)(C)c3ccccc3N4c3cccc(-c4ccccc4)c3)cc21
InChIInChI=1S/C42H35NS/c1-41(2)33-17-8-10-19-37(33)43(32-16-12-15-29(25-32)28-13-6-5-7-14-28)38-23-21-30(26-35(38)41)31-22-24-40-36(27-31)42(3,4)34-18-9-11-20-39(34)44-40/h5-27H,1-4H3
InChIKeyAYLWRWIHQZCUCZ-UHFFFAOYSA-N
XLogP11.92
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500585.82
LogP ≤ 511.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9-dimethylthioxanthen-2-yl]-9,9-dimethyl-10-phenylacridine
CID 134578950
2-[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-9,9-dimethyl-10-phenylacridine
CID 118472949
10-[3-(3-dibenzofuran-2-ylphenyl)phenyl]-9,9-dimethyl-2-phenylacridine
CID 71003986
4-[10-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]-9,9-dimethylacridin-2-yl]aniline
CID 89183043
2-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9,9-dimethyl-10-phenylacridine
CID 71007166
2-[4-(benzenesulfonyl)phenyl]-7-(9,9-dimethylacridin-10-yl)-9,9-dimethyl-10-phenylacridine
CID 134579034
10'-[3-(4-tert-butylphenyl)phenyl]-2'-phenyl-10-(4-phenylphenyl)-9,9'-spirobi[acridine]
CID 171799183
2-[6-(9,9-dimethyl-10-phenylacridin-2-yl)-2-pyridinyl]-9,9-dimethyl-10-phenylacridine
CID 59399596
10-[3-(9,9-dimethylacridin-10-yl)-5-phenylphenyl]-9,9-dimethylacridine
CID 59399603
10-[3-(3-dibenzothiophen-2-ylphenyl)phenyl]-9,9-dimethyl-2,7-diphenylacridine
CID 71003882
2-(3-bromophenyl)-9,9-dimethylthioxanthene
CID 166679111
3-(9,9-dimethyl-10-phenylacridin-3-yl)-9,9-dimethyl-10-phenylacridine
CID 58489784

Frequently Asked Questions

What is the IUPAC name of 2-(9,9-dimethylthioxanthen-2-yl)-9,9-dimethyl-10-(3-phenylphenyl)acridine?
The IUPAC name of 2-(9,9-dimethylthioxanthen-2-yl)-9,9-dimethyl-10-(3-phenylphenyl)acridine (CID 142356251) is 2-(9,9-dimethylthioxanthen-2-yl)-9,9-dimethyl-10-(3-phenylphenyl)acridine.
What is the SMILES notation for 2-(9,9-dimethylthioxanthen-2-yl)-9,9-dimethyl-10-(3-phenylphenyl)acridine?
The canonical SMILES for 2-(9,9-dimethylthioxanthen-2-yl)-9,9-dimethyl-10-(3-phenylphenyl)acridine is CC1(C)c2ccccc2Sc2ccc(-c3ccc4c(c3)C(C)(C)c3ccccc3N4c3cccc(-c4ccccc4)c3)cc21.
What is the InChIKey of 2-(9,9-dimethylthioxanthen-2-yl)-9,9-dimethyl-10-(3-phenylphenyl)acridine?
The InChIKey is AYLWRWIHQZCUCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H35NS/c1-41(2)33-17-8-10-19-37(33)43(32-16-12-15-29(25-32)28-13-6-5-7-14-28)38-23-21-30(26-35(38)41)31-22-24-40-36(27-31)42(3,4)34-18-9-11-20-39(34)44-40/h5-27H,1-4H3.
What are the key properties of 2-(9,9-dimethylthioxanthen-2-yl)-9,9-dimethyl-10-(3-phenylphenyl)acridine?
2-(9,9-dimethylthioxanthen-2-yl)-9,9-dimethyl-10-(3-phenylphenyl)acridine has a molecular weight of 585.82 g/mol, XLogP of 11.92, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(9,9-dimethylthioxanthen-2-yl)-9,9-dimethyl-10-(3-phenylphenyl)acridine is sourced from PubChem (CID 142356251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).