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

C152H134N10O9S5 — CID 159875450

IUPAC10-[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
SMILESCc1cc(S(=O)(=O)c2cccnc2)ccc1N1c2ccc(-c3ccccc3)cc2C(C)(C)c2cc(-c3ccccc3)ccc21.Cc1cc(S(=O)(=O)c2cccnc2)ccc1N1c2ccc(C(C)(C)C)cc2C(C)(C)c2cc(C(C)(C)C)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/C39H31N3O3S.C39H31N3O2S2.C39H32N2O2S.C35H40N2O2S/c2*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;1-27-23-32(44(42,43)33-15-10-22-40-26-33)18-21-36(27)41-37-19-16-30(28-11-6-4-7-12-28)24-34(37)39(2,3)35-25-31(17-20-38(35)41)29-13-8-5-9-14-29;1-23-19-26(40(38,39)27-11-10-18-36-22-27)14-17-30(23)37-31-15-12-24(33(2,3)4)20-28(31)35(8,9)29-21-25(34(5,6)7)13-16-32(29)37/h2*4-25H,1-3H3;4-26H,1-3H3;10-22H,1-9H3
InChIKeyNSVRGIPMQSNVDP-UHFFFAOYSA-N
MW2405.14 g/mol
LogP38.77
Rot. Bonds16

About 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

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 (PubChem CID 159875450) has the molecular formula C152H134N10O9S5 and a molecular weight of 2405.14 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name10-[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
PubChem CID159875450
Molecular FormulaC152H134N10O9S5
Molecular Weight2405.14 g/mol
Exact Mass2402.89
IUPAC Name10-[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
SMILESCc1cc(S(=O)(=O)c2cccnc2)ccc1N1c2ccc(-c3ccccc3)cc2C(C)(C)c2cc(-c3ccccc3)ccc21.Cc1cc(S(=O)(=O)c2cccnc2)ccc1N1c2ccc(C(C)(C)C)cc2C(C)(C)c2cc(C(C)(C)C)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/C39H31N3O3S.C39H31N3O2S2.C39H32N2O2S.C35H40N2O2S/c2*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;1-27-23-32(44(42,43)33-15-10-22-40-26-33)18-21-36(27)41-37-19-16-30(28-11-6-4-7-12-28)24-34(37)39(2,3)35-25-31(17-20-38(35)41)29-13-8-5-9-14-29;1-23-19-26(40(38,39)27-11-10-18-36-22-27)14-17-30(23)37-31-15-12-24(33(2,3)4)20-28(31)35(8,9)29-21-25(34(5,6)7)13-16-32(29)37/h2*4-25H,1-3H3;4-26H,1-3H3;10-22H,1-9H3
InChIKeyNSVRGIPMQSNVDP-UHFFFAOYSA-N
XLogP38.77
TPSA216.79 Ų
H-Bond Donors
H-Bond Acceptors20
Rotatable Bonds16
Heavy Atoms176
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002405.14
LogP ≤ 538.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1020

Analyze 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 with MolForge

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Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Cc1cc(S(=O)(=O)c2cccnc2)ccc1N1c2ccc(-c3ccccc3)cc2C(C)(C)c2cc(-c3ccccc3)ccc21.Cc1cc(S(=O)(=O)c2cccnc2)ccc1N1c2ccc(C(C)(C)C)cc2C(C)(C)c2cc(C(C)(C)C)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-[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?
The InChIKey is NSVRGIPMQSNVDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H31N3O3S.C39H31N3O2S2.C39H32N2O2S.C35H40N2O2S/c2*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;1-27-23-32(44(42,43)33-15-10-22-40-26-33)18-21-36(27)41-37-19-16-30(28-11-6-4-7-12-28)24-34(37)39(2,3)35-25-31(17-20-38(35)41)29-13-8-5-9-14-29;1-23-19-26(40(38,39)27-11-10-18-36-22-27)14-17-30(23)37-31-15-12-24(33(2,3)4)20-28(31)35(8,9)29-21-25(34(5,6)7)13-16-32(29)37/h2*4-25H,1-3H3;4-26H,1-3H3;10-22H,1-9H3.
What are the key properties of 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?
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 has a molecular weight of 2405.14 g/mol, XLogP of 38.77, 16 rotatable bonds, 0 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 159875450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).