13,16-bis(9,9-dimethylacridin-10-yl)-2,5,8,11-tetrazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(16),3,5,7,9,12,14-heptaene;14,15-bis(9,9-dimethylacridin-10-yl)-2,5,8,11-tetrazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(16),3,5,7,9,12,14-heptaene;10-(15-phenothiazin-10-yl-2,5,8,11-tetrazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(16),3,5,7,9,12,14-heptaen-14-yl)phenoxazine;10-(16-phenothiazin-10-yl-2,5,8,11-tetrazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(12),3,5,7,9,13,15-heptaen-14-yl)phenoxazine;10-(16-phenothiazin-10-yl-2,5,8,11-tetrazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(16),3,5,7,9,12,14-heptaen-13-yl)phenoxazine

C192H134N30O3S3 — CID 157322122

IUPAC13,16-bis(9,9-dimethylacridin-10-yl)-2,5,8,11-tetrazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(16),3,5,7,9,12,14-heptaene;14,15-bis(9,9-dimethylacridin-10-yl)-2,5,8,11-tetrazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(16),3,5,7,9,12,14-heptaene;10-(15-phenothiazin-10-yl-2,5,8,11-tetrazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(16),3,5,7,9,12,14-heptaen-14-yl)phenoxazine;10-(16-phenothiazin-10-yl-2,5,8,11-tetrazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(12),3,5,7,9,13,15-heptaen-14-yl)phenoxazine;10-(16-phenothiazin-10-yl-2,5,8,11-tetrazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(16),3,5,7,9,12,14-heptaen-13-yl)phenoxazine
SMILESCC1(C)c2ccccc2N(c2cc3c(cc2N2c4ccccc4C(C)(C)c4ccccc42)n2ccnc2c2nccn32)c2ccccc21.CC1(C)c2ccccc2N(c2ccc(N3c4ccccc4C(C)(C)c4ccccc43)c3c2n2ccnc2c2nccn23)c2ccccc21.c1ccc2c(c1)Oc1ccccc1N2c1cc(N2c3ccccc3Sc3ccccc32)c2c(c1)n1ccnc1c1nccn12.c1ccc2c(c1)Oc1ccccc1N2c1cc2c(cc1N1c3ccccc3Sc3ccccc31)n1ccnc1c1nccn21.c1ccc2c(c1)Oc1ccccc1N2c1ccc(N2c3ccccc3Sc3ccccc32)c2c1n1ccnc1c1nccn12
InChIInChI=1S/2C42H34N6.3C36H22N6OS/c1-41(2)27-13-5-9-17-31(27)47(32-18-10-6-14-28(32)41)37-25-35-36(46-24-22-44-40(46)39-43-21-23-45(35)39)26-38(37)48-33-19-11-7-15-29(33)42(3,4)30-16-8-12-20-34(30)48;1-41(2)27-13-5-9-17-31(27)47(32-18-10-6-14-28(32)41)35-21-22-36(38-37(35)45-25-23-43-39(45)40-44-24-26-46(38)40)48-33-19-11-7-15-29(33)42(3,4)30-16-8-12-20-34(30)48;1-5-13-30-24(9-1)41(25-10-2-6-14-31(25)43-30)23-21-28-34(40-20-18-38-36(40)35-37-17-19-39(28)35)29(22-23)42-26-11-3-7-15-32(26)44-33-16-8-4-12-27(33)42;1-5-13-31-23(9-1)41(24-10-2-6-14-32(24)43-31)29-21-27-28(40-20-18-38-36(40)35-37-17-19-39(27)35)22-30(29)42-25-11-3-7-15-33(25)44-34-16-8-4-12-26(34)42;1-5-13-29-23(9-1)41(24-10-2-6-14-30(24)43-29)27-17-18-28(34-33(27)39-21-19-37-35(39)36-38-20-22-40(34)36)42-25-11-3-7-15-31(25)44-32-16-8-4-12-26(32)42/h2*5-26H,1-4H3;3*1-22H
InChIKeyBEHFNKRZEOCEDE-UHFFFAOYSA-N
MW3005.59 g/mol
LogP49.64
Rot. Bonds10

About 13,16-bis(9,9-dimethylacridin-10-yl)-2,5,8,11-tetrazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(16),3,5,7,9,12,14-heptaene;14,15-bis(9,9-dimethylacridin-10-yl)-2,5,8,11-tetrazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(16),3,5,7,9,12,14-heptaene;10-(15-phenothiazin-10-yl-2,5,8,11-tetrazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(16),3,5,7,9,12,14-heptaen-14-yl)phenoxazine;10-(16-phenothiazin-10-yl-2,5,8,11-tetrazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(12),3,5,7,9,13,15-heptaen-14-yl)phenoxazine;10-(16-phenothiazin-10-yl-2,5,8,11-tetrazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(16),3,5,7,9,12,14-heptaen-13-yl)phenoxazine

13,16-bis(9,9-dimethylacridin-10-yl)-2,5,8,11-tetrazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(16),3,5,7,9,12,14-heptaene;14,15-bis(9,9-dimethylacridin-10-yl)-2,5,8,11-tetrazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(16),3,5,7,9,12,14-heptaene;10-(15-phenothiazin-10-yl-2,5,8,11-tetrazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(16),3,5,7,9,12,14-heptaen-14-yl)phenoxazine;10-(16-phenothiazin-10-yl-2,5,8,11-tetrazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(12),3,5,7,9,13,15-heptaen-14-yl)phenoxazine;10-(16-phenothiazin-10-yl-2,5,8,11-tetrazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(16),3,5,7,9,12,14-heptaen-13-yl)phenoxazine (PubChem CID 157322122) has the molecular formula C192H134N30O3S3 and a molecular weight of 3005.59 g/mol. Its IUPAC name is 13,16-bis(9,9-dimethylacridin-10-yl)-2,5,8,11-tetrazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(16),3,5,7,9,12,14-heptaene;14,15-bis(9,9-dimethylacridin-10-yl)-2,5,8,11-tetrazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(16),3,5,7,9,12,14-heptaene;10-(15-phenothiazin-10-yl-2,5,8,11-tetrazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(16),3,5,7,9,12,14-heptaen-14-yl)phenoxazine;10-(16-phenothiazin-10-yl-2,5,8,11-tetrazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(12),3,5,7,9,13,15-heptaen-14-yl)phenoxazine;10-(16-phenothiazin-10-yl-2,5,8,11-tetrazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(16),3,5,7,9,12,14-heptaen-13-yl)phenoxazine.

Molecular Properties

Compound Name13,16-bis(9,9-dimethylacridin-10-yl)-2,5,8,11-tetrazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(16),3,5,7,9,12,14-heptaene;14,15-bis(9,9-dimethylacridin-10-yl)-2,5,8,11-tetrazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(16),3,5,7,9,12,14-heptaene;10-(15-phenothiazin-10-yl-2,5,8,11-tetrazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(16),3,5,7,9,12,14-heptaen-14-yl)phenoxazine;10-(16-phenothiazin-10-yl-2,5,8,11-tetrazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(12),3,5,7,9,13,15-heptaen-14-yl)phenoxazine;10-(16-phenothiazin-10-yl-2,5,8,11-tetrazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(16),3,5,7,9,12,14-heptaen-13-yl)phenoxazine
PubChem CID157322122
Molecular FormulaC192H134N30O3S3
Molecular Weight3005.59 g/mol
Exact Mass3003.04
IUPAC Name13,16-bis(9,9-dimethylacridin-10-yl)-2,5,8,11-tetrazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(16),3,5,7,9,12,14-heptaene;14,15-bis(9,9-dimethylacridin-10-yl)-2,5,8,11-tetrazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(16),3,5,7,9,12,14-heptaene;10-(15-phenothiazin-10-yl-2,5,8,11-tetrazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(16),3,5,7,9,12,14-heptaen-14-yl)phenoxazine;10-(16-phenothiazin-10-yl-2,5,8,11-tetrazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(12),3,5,7,9,13,15-heptaen-14-yl)phenoxazine;10-(16-phenothiazin-10-yl-2,5,8,11-tetrazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(16),3,5,7,9,12,14-heptaen-13-yl)phenoxazine
SMILESCC1(C)c2ccccc2N(c2cc3c(cc2N2c4ccccc4C(C)(C)c4ccccc42)n2ccnc2c2nccn32)c2ccccc21.CC1(C)c2ccccc2N(c2ccc(N3c4ccccc4C(C)(C)c4ccccc43)c3c2n2ccnc2c2nccn23)c2ccccc21.c1ccc2c(c1)Oc1ccccc1N2c1cc(N2c3ccccc3Sc3ccccc32)c2c(c1)n1ccnc1c1nccn12.c1ccc2c(c1)Oc1ccccc1N2c1cc2c(cc1N1c3ccccc3Sc3ccccc31)n1ccnc1c1nccn21.c1ccc2c(c1)Oc1ccccc1N2c1ccc(N2c3ccccc3Sc3ccccc32)c2c1n1ccnc1c1nccn12
InChIInChI=1S/2C42H34N6.3C36H22N6OS/c1-41(2)27-13-5-9-17-31(27)47(32-18-10-6-14-28(32)41)37-25-35-36(46-24-22-44-40(46)39-43-21-23-45(35)39)26-38(37)48-33-19-11-7-15-29(33)42(3,4)30-16-8-12-20-34(30)48;1-41(2)27-13-5-9-17-31(27)47(32-18-10-6-14-28(32)41)35-21-22-36(38-37(35)45-25-23-43-39(45)40-44-24-26-46(38)40)48-33-19-11-7-15-29(33)42(3,4)30-16-8-12-20-34(30)48;1-5-13-30-24(9-1)41(25-10-2-6-14-31(25)43-30)23-21-28-34(40-20-18-38-36(40)35-37-17-19-39(28)35)29(22-23)42-26-11-3-7-15-32(26)44-33-16-8-4-12-27(33)42;1-5-13-31-23(9-1)41(24-10-2-6-14-32(24)43-31)29-21-27-28(40-20-18-38-36(40)35-37-17-19-39(27)35)22-30(29)42-25-11-3-7-15-33(25)44-34-16-8-4-12-26(34)42;1-5-13-29-23(9-1)41(24-10-2-6-14-30(24)43-29)27-17-18-28(34-33(27)39-21-19-37-35(39)36-38-20-22-40(34)36)42-25-11-3-7-15-31(25)44-32-16-8-4-12-26(32)42/h2*5-26H,1-4H3;3*1-22H
InChIKeyBEHFNKRZEOCEDE-UHFFFAOYSA-N
XLogP49.64
TPSA233.09 Ų
H-Bond Donors
H-Bond Acceptors36
Rotatable Bonds10
Heavy Atoms228
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003005.59
LogP ≤ 549.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1036

Analyze 13,16-bis(9,9-dimethylacridin-10-yl)-2,5,8,11-tetrazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(16),3,5,7,9,12,14-heptaene;14,15-bis(9,9-dimethylacridin-10-yl)-2,5,8,11-tetrazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(16),3,5,7,9,12,14-heptaene;10-(15-phenothiazin-10-yl-2,5,8,11-tetrazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(16),3,5,7,9,12,14-heptaen-14-yl)phenoxazine;10-(16-phenothiazin-10-yl-2,5,8,11-tetrazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(12),3,5,7,9,13,15-heptaen-14-yl)phenoxazine;10-(16-phenothiazin-10-yl-2,5,8,11-tetrazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(16),3,5,7,9,12,14-heptaen-13-yl)phenoxazine with MolForge

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Related Compounds

9-[4-Carbazol-9-yl-2,6-bis(4-methylphenyl)phenyl]carbazole;9-[4-carbazol-9-yl-2,6-bis(2,3,4,5,6-pentafluorophenyl)phenyl]carbazole;10-[4-phenothiazin-10-yl-2,5-di(pyrimidin-2-yl)phenyl]phenothiazine;10-[4-phenoxazin-10-yl-2,6-bis(trifluoromethyl)phenyl]phenoxazine
CID 159440060
10-(3,10-Dimethyl-15-phenothiazin-10-yl-2,5,8,11-tetrazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(12),3,5,7,9,13,15-heptaen-13-yl)phenoxazine
CID 129289378
10-(15-Phenothiazin-10-yl-3,10-diphenyl-2,5,8,11-tetrazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(16),3,5,7,9,12,14-heptaen-14-yl)phenoxazine
CID 129289388
10-(3,10-Dimethyl-16-phenothiazin-10-yl-2,5,8,11-tetrazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(12),3,5,7,9,13,15-heptaen-14-yl)phenoxazine
CID 129289403
10-(15-Phenothiazin-10-yl-2,5,8,11-tetrazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(12),3,5,7,9,13,15-heptaen-13-yl)phenoxazine
CID 129289413
10-(15-Phenothiazin-10-yl-2,5,8,11-tetrazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(16),3,5,7,9,12,14-heptaen-14-yl)phenoxazine
CID 129289415
10-(16-Phenothiazin-10-yl-2,5,8,11-tetrazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(16),3,5,7,9,12,14-heptaen-13-yl)phenoxazine
CID 129289417
10-(3,10-Dimethyl-15-phenothiazin-10-yl-2,5,8,11-tetrazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(16),3,5,7,9,12,14-heptaen-14-yl)phenoxazine
CID 129289418
10-(3,10-Dimethyl-16-phenothiazin-10-yl-2,5,8,11-tetrazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(16),3,5,7,9,12,14-heptaen-13-yl)phenoxazine
CID 129289419
10-(16-Phenothiazin-10-yl-2,5,8,11-tetrazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(12),3,5,7,9,13,15-heptaen-14-yl)phenoxazine
CID 129289434
benzene;9H-carbazole;9,9-dimethyl-10H-acridine;9,9-diphenyl-10H-acridine;3-(9H-fluoren-9-yl)pyridine;10H-phenothiazine;10H-phenoxazine;9-phenylcarbazole;pyridine;9H-pyrido[3,4-b]indole;3,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
CID 157072930
11-(9,9-dimethyl-4a,9a-dihydroacridin-10-yl)-6-(9,9-dimethylacridin-10-yl)-2,3-dipropylpyrazino[2,3-f][1,10]phenanthroline;10-[6-(9,9-dimethyl-4a,9a-dihydroacridin-10-yl)-3-fluoro-2-isocyanopyrazino[2,3-f][1,10]phenanthrolin-10-yl]-1,2-dihydrophenoxazine;10-[6-(9,9-dimethylacridin-10-yl)pyrazino[2,3-f][1,10]phenanthrolin-10-yl]phenothiazine;N,N-diphenyl-9-[6-[3-(N-phenylanilino)carbazol-9-yl]pyrazino[2,3-f][1,10]phenanthrolin-11-yl]carbazol-3-amine
CID 157095068

Frequently Asked Questions

What is the IUPAC name of 13,16-bis(9,9-dimethylacridin-10-yl)-2,5,8,11-tetrazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(16),3,5,7,9,12,14-heptaene;14,15-bis(9,9-dimethylacridin-10-yl)-2,5,8,11-tetrazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(16),3,5,7,9,12,14-heptaene;10-(15-phenothiazin-10-yl-2,5,8,11-tetrazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(16),3,5,7,9,12,14-heptaen-14-yl)phenoxazine;10-(16-phenothiazin-10-yl-2,5,8,11-tetrazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(12),3,5,7,9,13,15-heptaen-14-yl)phenoxazine;10-(16-phenothiazin-10-yl-2,5,8,11-tetrazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(16),3,5,7,9,12,14-heptaen-13-yl)phenoxazine?
The IUPAC name of 13,16-bis(9,9-dimethylacridin-10-yl)-2,5,8,11-tetrazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(16),3,5,7,9,12,14-heptaene;14,15-bis(9,9-dimethylacridin-10-yl)-2,5,8,11-tetrazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(16),3,5,7,9,12,14-heptaene;10-(15-phenothiazin-10-yl-2,5,8,11-tetrazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(16),3,5,7,9,12,14-heptaen-14-yl)phenoxazine;10-(16-phenothiazin-10-yl-2,5,8,11-tetrazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(12),3,5,7,9,13,15-heptaen-14-yl)phenoxazine;10-(16-phenothiazin-10-yl-2,5,8,11-tetrazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(16),3,5,7,9,12,14-heptaen-13-yl)phenoxazine (CID 157322122) is 13,16-bis(9,9-dimethylacridin-10-yl)-2,5,8,11-tetrazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(16),3,5,7,9,12,14-heptaene;14,15-bis(9,9-dimethylacridin-10-yl)-2,5,8,11-tetrazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(16),3,5,7,9,12,14-heptaene;10-(15-phenothiazin-10-yl-2,5,8,11-tetrazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(16),3,5,7,9,12,14-heptaen-14-yl)phenoxazine;10-(16-phenothiazin-10-yl-2,5,8,11-tetrazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(12),3,5,7,9,13,15-heptaen-14-yl)phenoxazine;10-(16-phenothiazin-10-yl-2,5,8,11-tetrazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(16),3,5,7,9,12,14-heptaen-13-yl)phenoxazine.
What is the SMILES notation for 13,16-bis(9,9-dimethylacridin-10-yl)-2,5,8,11-tetrazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(16),3,5,7,9,12,14-heptaene;14,15-bis(9,9-dimethylacridin-10-yl)-2,5,8,11-tetrazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(16),3,5,7,9,12,14-heptaene;10-(15-phenothiazin-10-yl-2,5,8,11-tetrazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(16),3,5,7,9,12,14-heptaen-14-yl)phenoxazine;10-(16-phenothiazin-10-yl-2,5,8,11-tetrazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(12),3,5,7,9,13,15-heptaen-14-yl)phenoxazine;10-(16-phenothiazin-10-yl-2,5,8,11-tetrazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(16),3,5,7,9,12,14-heptaen-13-yl)phenoxazine?
The canonical SMILES for 13,16-bis(9,9-dimethylacridin-10-yl)-2,5,8,11-tetrazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(16),3,5,7,9,12,14-heptaene;14,15-bis(9,9-dimethylacridin-10-yl)-2,5,8,11-tetrazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(16),3,5,7,9,12,14-heptaene;10-(15-phenothiazin-10-yl-2,5,8,11-tetrazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(16),3,5,7,9,12,14-heptaen-14-yl)phenoxazine;10-(16-phenothiazin-10-yl-2,5,8,11-tetrazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(12),3,5,7,9,13,15-heptaen-14-yl)phenoxazine;10-(16-phenothiazin-10-yl-2,5,8,11-tetrazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(16),3,5,7,9,12,14-heptaen-13-yl)phenoxazine is CC1(C)c2ccccc2N(c2cc3c(cc2N2c4ccccc4C(C)(C)c4ccccc42)n2ccnc2c2nccn32)c2ccccc21.CC1(C)c2ccccc2N(c2ccc(N3c4ccccc4C(C)(C)c4ccccc43)c3c2n2ccnc2c2nccn23)c2ccccc21.c1ccc2c(c1)Oc1ccccc1N2c1cc(N2c3ccccc3Sc3ccccc32)c2c(c1)n1ccnc1c1nccn12.c1ccc2c(c1)Oc1ccccc1N2c1cc2c(cc1N1c3ccccc3Sc3ccccc31)n1ccnc1c1nccn21.c1ccc2c(c1)Oc1ccccc1N2c1ccc(N2c3ccccc3Sc3ccccc32)c2c1n1ccnc1c1nccn12.
What is the InChIKey of 13,16-bis(9,9-dimethylacridin-10-yl)-2,5,8,11-tetrazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(16),3,5,7,9,12,14-heptaene;14,15-bis(9,9-dimethylacridin-10-yl)-2,5,8,11-tetrazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(16),3,5,7,9,12,14-heptaene;10-(15-phenothiazin-10-yl-2,5,8,11-tetrazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(16),3,5,7,9,12,14-heptaen-14-yl)phenoxazine;10-(16-phenothiazin-10-yl-2,5,8,11-tetrazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(12),3,5,7,9,13,15-heptaen-14-yl)phenoxazine;10-(16-phenothiazin-10-yl-2,5,8,11-tetrazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(16),3,5,7,9,12,14-heptaen-13-yl)phenoxazine?
The InChIKey is BEHFNKRZEOCEDE-UHFFFAOYSA-N. The full InChI is InChI=1S/2C42H34N6.3C36H22N6OS/c1-41(2)27-13-5-9-17-31(27)47(32-18-10-6-14-28(32)41)37-25-35-36(46-24-22-44-40(46)39-43-21-23-45(35)39)26-38(37)48-33-19-11-7-15-29(33)42(3,4)30-16-8-12-20-34(30)48;1-41(2)27-13-5-9-17-31(27)47(32-18-10-6-14-28(32)41)35-21-22-36(38-37(35)45-25-23-43-39(45)40-44-24-26-46(38)40)48-33-19-11-7-15-29(33)42(3,4)30-16-8-12-20-34(30)48;1-5-13-30-24(9-1)41(25-10-2-6-14-31(25)43-30)23-21-28-34(40-20-18-38-36(40)35-37-17-19-39(28)35)29(22-23)42-26-11-3-7-15-32(26)44-33-16-8-4-12-27(33)42;1-5-13-31-23(9-1)41(24-10-2-6-14-32(24)43-31)29-21-27-28(40-20-18-38-36(40)35-37-17-19-39(27)35)22-30(29)42-25-11-3-7-15-33(25)44-34-16-8-4-12-26(34)42;1-5-13-29-23(9-1)41(24-10-2-6-14-30(24)43-29)27-17-18-28(34-33(27)39-21-19-37-35(39)36-38-20-22-40(34)36)42-25-11-3-7-15-31(25)44-32-16-8-4-12-26(32)42/h2*5-26H,1-4H3;3*1-22H.
What are the key properties of 13,16-bis(9,9-dimethylacridin-10-yl)-2,5,8,11-tetrazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(16),3,5,7,9,12,14-heptaene;14,15-bis(9,9-dimethylacridin-10-yl)-2,5,8,11-tetrazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(16),3,5,7,9,12,14-heptaene;10-(15-phenothiazin-10-yl-2,5,8,11-tetrazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(16),3,5,7,9,12,14-heptaen-14-yl)phenoxazine;10-(16-phenothiazin-10-yl-2,5,8,11-tetrazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(12),3,5,7,9,13,15-heptaen-14-yl)phenoxazine;10-(16-phenothiazin-10-yl-2,5,8,11-tetrazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(16),3,5,7,9,12,14-heptaen-13-yl)phenoxazine?
13,16-bis(9,9-dimethylacridin-10-yl)-2,5,8,11-tetrazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(16),3,5,7,9,12,14-heptaene;14,15-bis(9,9-dimethylacridin-10-yl)-2,5,8,11-tetrazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(16),3,5,7,9,12,14-heptaene;10-(15-phenothiazin-10-yl-2,5,8,11-tetrazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(16),3,5,7,9,12,14-heptaen-14-yl)phenoxazine;10-(16-phenothiazin-10-yl-2,5,8,11-tetrazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(12),3,5,7,9,13,15-heptaen-14-yl)phenoxazine;10-(16-phenothiazin-10-yl-2,5,8,11-tetrazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(16),3,5,7,9,12,14-heptaen-13-yl)phenoxazine has a molecular weight of 3005.59 g/mol, XLogP of 49.64, 10 rotatable bonds, 0 hydrogen bond donors, and 36 hydrogen bond acceptors.
Where does this data come from?
All data for 13,16-bis(9,9-dimethylacridin-10-yl)-2,5,8,11-tetrazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(16),3,5,7,9,12,14-heptaene;14,15-bis(9,9-dimethylacridin-10-yl)-2,5,8,11-tetrazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(16),3,5,7,9,12,14-heptaene;10-(15-phenothiazin-10-yl-2,5,8,11-tetrazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(16),3,5,7,9,12,14-heptaen-14-yl)phenoxazine;10-(16-phenothiazin-10-yl-2,5,8,11-tetrazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(12),3,5,7,9,13,15-heptaen-14-yl)phenoxazine;10-(16-phenothiazin-10-yl-2,5,8,11-tetrazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(16),3,5,7,9,12,14-heptaen-13-yl)phenoxazine is sourced from PubChem (CID 157322122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).