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

C155H140N10O9S4 — CID 160833218

IUPAC10-[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
SMILESCc1cc(S(=O)(=O)c2ccccn2)ccc1N1c2ccccc2C(C)(C)c2cc(N3c4ccccc4Oc4ccccc43)ccc21.Cc1nc(S(=O)(=O)c2ccccc2)ccc1N1c2ccc(-c3ccccc3)cc2C(C)(C)c2cc(-c3ccccc3)ccc21.Cc1nc(S(=O)(=O)c2ccccc2)ccc1N1c2ccc(C(C)(C)C)cc2C(C)(C)c2cc(C(C)(C)C)ccc21.Cc1nc(S(=O)(=O)c2ccccc2)ccc1N1c2ccccc2C(C)(C)c2cc(N3c4ccccc4C(C)(C)c4ccccc43)ccc21
InChIInChI=1S/C42H37N3O2S.C39H31N3O3S.C39H32N2O2S.C35H40N2O2S/c1-28-35(25-26-40(43-28)48(46,47)30-15-7-6-8-16-30)45-38-22-14-11-19-33(38)42(4,5)34-27-29(23-24-39(34)45)44-36-20-12-9-17-31(36)41(2,3)32-18-10-13-21-37(32)44;1-26-24-28(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;1-27-35(23-24-38(40-27)44(42,43)32-17-11-6-12-18-32)41-36-21-19-30(28-13-7-4-8-14-28)25-33(36)39(2,3)34-26-31(20-22-37(34)41)29-15-9-5-10-16-29;1-23-29(19-20-32(36-23)40(38,39)26-13-11-10-12-14-26)37-30-17-15-24(33(2,3)4)21-27(30)35(8,9)28-22-25(34(5,6)7)16-18-31(28)37/h6-27H,1-5H3;4-25H,1-3H3;4-26H,1-3H3;10-22H,1-9H3
InChIKeySHBOVERFOCSEHR-UHFFFAOYSA-N
MW2415.15 g/mol
LogP38.94
Rot. Bonds16

About 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

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 (PubChem CID 160833218) has the molecular formula C155H140N10O9S4 and a molecular weight of 2415.15 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name10-[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
PubChem CID160833218
Molecular FormulaC155H140N10O9S4
Molecular Weight2415.15 g/mol
Exact Mass2412.97
IUPAC Name10-[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
SMILESCc1cc(S(=O)(=O)c2ccccn2)ccc1N1c2ccccc2C(C)(C)c2cc(N3c4ccccc4Oc4ccccc43)ccc21.Cc1nc(S(=O)(=O)c2ccccc2)ccc1N1c2ccc(-c3ccccc3)cc2C(C)(C)c2cc(-c3ccccc3)ccc21.Cc1nc(S(=O)(=O)c2ccccc2)ccc1N1c2ccc(C(C)(C)C)cc2C(C)(C)c2cc(C(C)(C)C)ccc21.Cc1nc(S(=O)(=O)c2ccccc2)ccc1N1c2ccccc2C(C)(C)c2cc(N3c4ccccc4C(C)(C)c4ccccc43)ccc21
InChIInChI=1S/C42H37N3O2S.C39H31N3O3S.C39H32N2O2S.C35H40N2O2S/c1-28-35(25-26-40(43-28)48(46,47)30-15-7-6-8-16-30)45-38-22-14-11-19-33(38)42(4,5)34-27-29(23-24-39(34)45)44-36-20-12-9-17-31(36)41(2,3)32-18-10-13-21-37(32)44;1-26-24-28(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;1-27-35(23-24-38(40-27)44(42,43)32-17-11-6-12-18-32)41-36-21-19-30(28-13-7-4-8-14-28)25-33(36)39(2,3)34-26-31(20-22-37(34)41)29-15-9-5-10-16-29;1-23-29(19-20-32(36-23)40(38,39)26-13-11-10-12-14-26)37-30-17-15-24(33(2,3)4)21-27(30)35(8,9)28-22-25(34(5,6)7)16-18-31(28)37/h6-27H,1-5H3;4-25H,1-3H3;4-26H,1-3H3;10-22H,1-9H3
InChIKeySHBOVERFOCSEHR-UHFFFAOYSA-N
XLogP38.94
TPSA216.79 Ų
H-Bond Donors
H-Bond Acceptors19
Rotatable Bonds16
Heavy Atoms178
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002415.15
LogP ≤ 538.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1019

Analyze 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 with MolForge

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Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Cc1cc(S(=O)(=O)c2ccccn2)ccc1N1c2ccccc2C(C)(C)c2cc(N3c4ccccc4Oc4ccccc43)ccc21.Cc1nc(S(=O)(=O)c2ccccc2)ccc1N1c2ccc(-c3ccccc3)cc2C(C)(C)c2cc(-c3ccccc3)ccc21.Cc1nc(S(=O)(=O)c2ccccc2)ccc1N1c2ccc(C(C)(C)C)cc2C(C)(C)c2cc(C(C)(C)C)ccc21.Cc1nc(S(=O)(=O)c2ccccc2)ccc1N1c2ccccc2C(C)(C)c2cc(N3c4ccccc4C(C)(C)c4ccccc43)ccc21.
What is the InChIKey of 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?
The InChIKey is SHBOVERFOCSEHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H37N3O2S.C39H31N3O3S.C39H32N2O2S.C35H40N2O2S/c1-28-35(25-26-40(43-28)48(46,47)30-15-7-6-8-16-30)45-38-22-14-11-19-33(38)42(4,5)34-27-29(23-24-39(34)45)44-36-20-12-9-17-31(36)41(2,3)32-18-10-13-21-37(32)44;1-26-24-28(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;1-27-35(23-24-38(40-27)44(42,43)32-17-11-6-12-18-32)41-36-21-19-30(28-13-7-4-8-14-28)25-33(36)39(2,3)34-26-31(20-22-37(34)41)29-15-9-5-10-16-29;1-23-29(19-20-32(36-23)40(38,39)26-13-11-10-12-14-26)37-30-17-15-24(33(2,3)4)21-27(30)35(8,9)28-22-25(34(5,6)7)16-18-31(28)37/h6-27H,1-5H3;4-25H,1-3H3;4-26H,1-3H3;10-22H,1-9H3.
What are the key properties of 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?
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 has a molecular weight of 2415.15 g/mol, XLogP of 38.94, 16 rotatable bonds, 0 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 160833218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).