10-[9,9-dimethyl-10-(2-methyl-4-pyridin-2-ylsulfonylphenyl)acridin-2-yl]phenoxazine

C39H31N3O3S — CID 134237340

IUPAC10-[9,9-dimethyl-10-(2-methyl-4-pyridin-2-ylsulfonylphenyl)acridin-2-yl]phenoxazine
SMILESCc1cc(S(=O)(=O)c2ccccn2)ccc1N1c2ccccc2C(C)(C)c2cc(N3c4ccccc4Oc4ccccc43)ccc21
InChIInChI=1S/C39H31N3O3S/c1-26-24-28(46(43,44)38-18-10-11-23-40-38)20-22-31(26)42-32-13-5-4-12-29(32)39(2,3)30-25-27(19-21-33(30)42)41-34-14-6-8-16-36(34)45-37-17-9-7-15-35(37)41/h4-25H,1-3H3
InChIKeyXYSTUOJTUUXDMO-UHFFFAOYSA-N
MW621.76 g/mol
LogP9.91
Rot. Bonds4

About 10-[9,9-dimethyl-10-(2-methyl-4-pyridin-2-ylsulfonylphenyl)acridin-2-yl]phenoxazine

10-[9,9-dimethyl-10-(2-methyl-4-pyridin-2-ylsulfonylphenyl)acridin-2-yl]phenoxazine (PubChem CID 134237340) has the molecular formula C39H31N3O3S and a molecular weight of 621.76 g/mol. Its IUPAC name is 10-[9,9-dimethyl-10-(2-methyl-4-pyridin-2-ylsulfonylphenyl)acridin-2-yl]phenoxazine.

Molecular Properties

Compound Name10-[9,9-dimethyl-10-(2-methyl-4-pyridin-2-ylsulfonylphenyl)acridin-2-yl]phenoxazine
PubChem CID134237340
Molecular FormulaC39H31N3O3S
Molecular Weight621.76 g/mol
Exact Mass621.21
IUPAC Name10-[9,9-dimethyl-10-(2-methyl-4-pyridin-2-ylsulfonylphenyl)acridin-2-yl]phenoxazine
SMILESCc1cc(S(=O)(=O)c2ccccn2)ccc1N1c2ccccc2C(C)(C)c2cc(N3c4ccccc4Oc4ccccc43)ccc21
InChIInChI=1S/C39H31N3O3S/c1-26-24-28(46(43,44)38-18-10-11-23-40-38)20-22-31(26)42-32-13-5-4-12-29(32)39(2,3)30-25-27(19-21-33(30)42)41-34-14-6-8-16-36(34)45-37-17-9-7-15-35(37)41/h4-25H,1-3H3
InChIKeyXYSTUOJTUUXDMO-UHFFFAOYSA-N
XLogP9.91
TPSA62.74 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500621.76
LogP ≤ 59.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-(9,9-dimethylxanthen-4-yl)-N-(4-phenoxathiin-4-ylphenyl)pyridin-3-amine
CID 118134088
10-[10-[6-(Benzenesulfonyl)-2-methyl-3-pyridinyl]-9,9-dimethylacridin-2-yl]phenoxazine
CID 134237321
10-[9,9-Dimethyl-10-(2-methyl-4-pyridin-3-ylsulfonylphenyl)acridin-2-yl]phenoxazine
CID 134237333
10-[3-[6-(Benzenesulfonyl)-4-methyl-2-pyridinyl]phenyl]phenoxazine
CID 134237355
7-(10-Phenyl-9,9'-spirobi[acridine]-10'-yl)-[1,4]benzoxathiino[3,2-c]pyridine 10,10-dioxide
CID 139574705
9,9-Dimethyl-10-[10-(2-pyridin-2-ylsulfanylphenyl)benzo[b][1,4]benzoxaborinin-3-yl]acridine
CID 144918559
1-(3-pyridin-3-ylsulfonylphenyl)-10H-phenoxazine
CID 149935418
10-[6-(Benzenesulfonyl)-2-methyl-3-pyridinyl]-9,9-dimethyl-2,7-diphenylacridine;2,7-ditert-butyl-9,9-dimethyl-10-(2-methyl-4-pyridin-2-ylsulfonylphenyl)acridine;2-(9,9-dimethylacridin-10-yl)-9,9-dimethyl-10-(2-methyl-4-pyridin-2-ylsulfonylphenyl)acridine;10-[9,9-dimethyl-10-(2-methyl-4-pyridin-2-ylsulfonylphenyl)acridin-2-yl]phenoxazine
CID 157807509
10-[10-[6-(Benzenesulfonyl)-2-methyl-3-pyridinyl]-9,9-dimethylacridin-2-yl]phenothiazine;10-[10-[6-(benzenesulfonyl)-2-methyl-3-pyridinyl]-9,9-dimethylacridin-2-yl]phenoxazine;2,7-ditert-butyl-9,9-dimethyl-10-(2-methyl-4-pyridin-3-ylsulfonylphenyl)acridine;9,9-dimethyl-10-(2-methyl-4-pyridin-3-ylsulfonylphenyl)-2,7-diphenylacridine
CID 159875450
10-[9,9-Dimethyl-10-(2-methyl-4-pyridin-3-ylsulfonylphenyl)acridin-2-yl]phenoxazine;9,9-dimethyl-10-(2-methyl-4-pyridin-3-ylsulfonylphenyl)-2,7-diphenylacridine;10-(2-methyl-4-pyridin-3-ylsulfonylphenyl)-9,9-diphenylacridine;10-(2-methyl-4-pyridin-3-ylsulfonylphenyl)spiro[acridine-9,9'-fluorene]
CID 160498966
10-[6-(Benzenesulfonyl)-2-methyl-3-pyridinyl]-2,7-ditert-butyl-9,9-dimethylacridine;10-[6-(benzenesulfonyl)-2-methyl-3-pyridinyl]-2-(9,9-dimethylacridin-10-yl)-9,9-dimethylacridine;10-[6-(benzenesulfonyl)-2-methyl-3-pyridinyl]-9,9-dimethyl-2,7-diphenylacridine;10-[9,9-dimethyl-10-(2-methyl-4-pyridin-2-ylsulfonylphenyl)acridin-2-yl]phenoxazine
CID 160833218
2-(9,9-Dimethylacridin-10-yl)-9,9-dimethyl-10-(2-methyl-4-pyridin-3-ylsulfonylphenyl)acridine;10-[9,9-dimethyl-10-(2-methyl-4-pyridin-3-ylsulfonylphenyl)acridin-2-yl]phenothiazine;10-[9,9-dimethyl-10-(2-methyl-4-pyridin-3-ylsulfonylphenyl)acridin-2-yl]phenoxazine;9,9-dimethyl-10-(2-methyl-4-pyridin-3-ylsulfonylphenyl)-2,7-diphenylacridine
CID 161125563

Frequently Asked Questions

What is the IUPAC name of 10-[9,9-dimethyl-10-(2-methyl-4-pyridin-2-ylsulfonylphenyl)acridin-2-yl]phenoxazine?
The IUPAC name of 10-[9,9-dimethyl-10-(2-methyl-4-pyridin-2-ylsulfonylphenyl)acridin-2-yl]phenoxazine (CID 134237340) is 10-[9,9-dimethyl-10-(2-methyl-4-pyridin-2-ylsulfonylphenyl)acridin-2-yl]phenoxazine.
What is the SMILES notation for 10-[9,9-dimethyl-10-(2-methyl-4-pyridin-2-ylsulfonylphenyl)acridin-2-yl]phenoxazine?
The canonical SMILES for 10-[9,9-dimethyl-10-(2-methyl-4-pyridin-2-ylsulfonylphenyl)acridin-2-yl]phenoxazine is Cc1cc(S(=O)(=O)c2ccccn2)ccc1N1c2ccccc2C(C)(C)c2cc(N3c4ccccc4Oc4ccccc43)ccc21.
What is the InChIKey of 10-[9,9-dimethyl-10-(2-methyl-4-pyridin-2-ylsulfonylphenyl)acridin-2-yl]phenoxazine?
The InChIKey is XYSTUOJTUUXDMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H31N3O3S/c1-26-24-28(46(43,44)38-18-10-11-23-40-38)20-22-31(26)42-32-13-5-4-12-29(32)39(2,3)30-25-27(19-21-33(30)42)41-34-14-6-8-16-36(34)45-37-17-9-7-15-35(37)41/h4-25H,1-3H3.
What are the key properties of 10-[9,9-dimethyl-10-(2-methyl-4-pyridin-2-ylsulfonylphenyl)acridin-2-yl]phenoxazine?
10-[9,9-dimethyl-10-(2-methyl-4-pyridin-2-ylsulfonylphenyl)acridin-2-yl]phenoxazine has a molecular weight of 621.76 g/mol, XLogP of 9.91, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 10-[9,9-dimethyl-10-(2-methyl-4-pyridin-2-ylsulfonylphenyl)acridin-2-yl]phenoxazine is sourced from PubChem (CID 134237340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).