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-[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

C155H139N11O9S5 — CID 157278901

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-[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
SMILESCc1nc(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.Cc1nc(S(=O)(=O)c2ccccc2)ccc1N1c2ccccc2C(C)(C)c2cc(N3c4ccccc4Oc4ccccc43)ccc21.Cc1nc(S(=O)(=O)c2ccccc2)ccc1N1c2ccccc2C(C)(C)c2cc(N3c4ccccc4Sc4ccccc43)ccc21
InChIInChI=1S/C42H37N3O2S.C39H31N3O3S.C39H31N3O2S2.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;2*1-26-31(23-24-38(40-26)46(43,44)28-13-5-4-6-14-28)42-32-16-8-7-15-29(32)39(2,3)30-25-27(21-22-33(30)42)41-34-17-9-11-19-36(34)45-37-20-12-10-18-35(37)41;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;2*4-25H,1-3H3;10-22H,1-9H3
InChIKeyAZKVMVQJZLAFMJ-UHFFFAOYSA-N
MW2460.22 g/mol
LogP39.54
Rot. Bonds15

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-[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

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-[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 (PubChem CID 157278901) has the molecular formula C155H139N11O9S5 and a molecular weight of 2460.22 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-[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.

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-[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
PubChem CID157278901
Molecular FormulaC155H139N11O9S5
Molecular Weight2460.22 g/mol
Exact Mass2457.94
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-[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
SMILESCc1nc(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.Cc1nc(S(=O)(=O)c2ccccc2)ccc1N1c2ccccc2C(C)(C)c2cc(N3c4ccccc4Oc4ccccc43)ccc21.Cc1nc(S(=O)(=O)c2ccccc2)ccc1N1c2ccccc2C(C)(C)c2cc(N3c4ccccc4Sc4ccccc43)ccc21
InChIInChI=1S/C42H37N3O2S.C39H31N3O3S.C39H31N3O2S2.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;2*1-26-31(23-24-38(40-26)46(43,44)28-13-5-4-6-14-28)42-32-16-8-7-15-29(32)39(2,3)30-25-27(21-22-33(30)42)41-34-17-9-11-19-36(34)45-37-20-12-10-18-35(37)41;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;2*4-25H,1-3H3;10-22H,1-9H3
InChIKeyAZKVMVQJZLAFMJ-UHFFFAOYSA-N
XLogP39.54
TPSA220.03 Ų
H-Bond Donors
H-Bond Acceptors21
Rotatable Bonds15
Heavy Atoms180
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002460.22
LogP ≤ 539.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1021

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-[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 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-[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?
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-[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 (CID 157278901) 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-[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.
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-[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?
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-[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 is 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.Cc1nc(S(=O)(=O)c2ccccc2)ccc1N1c2ccccc2C(C)(C)c2cc(N3c4ccccc4Oc4ccccc43)ccc21.Cc1nc(S(=O)(=O)c2ccccc2)ccc1N1c2ccccc2C(C)(C)c2cc(N3c4ccccc4Sc4ccccc43)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-[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?
The InChIKey is AZKVMVQJZLAFMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H37N3O2S.C39H31N3O3S.C39H31N3O2S2.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;2*1-26-31(23-24-38(40-26)46(43,44)28-13-5-4-6-14-28)42-32-16-8-7-15-29(32)39(2,3)30-25-27(21-22-33(30)42)41-34-17-9-11-19-36(34)45-37-20-12-10-18-35(37)41;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;2*4-25H,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-[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?
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-[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 has a molecular weight of 2460.22 g/mol, XLogP of 39.54, 15 rotatable bonds, 0 hydrogen bond donors, and 21 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-[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 is sourced from PubChem (CID 157278901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).