8-[3,5-bis(3-methyl-2-pyridinyl)phenyl]-22-thia-8,18-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16(21),17,19-decaene;8,8-dimethyl-22-(4-pyridin-2-ylnaphthalen-1-yl)-11,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9(14),10,12,16,18,20-decaene;22-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]-8-oxa-20,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16(21),17,19-decaene;8-(3-phenyl-5-quinolin-2-ylphenyl)-22-oxa-5,8-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2(7),3,5,9,11,13,16,18,20-decaene

C155H104N14O2S — CID 158091978

IUPAC8-[3,5-bis(3-methyl-2-pyridinyl)phenyl]-22-thia-8,18-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16(21),17,19-decaene;8,8-dimethyl-22-(4-pyridin-2-ylnaphthalen-1-yl)-11,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9(14),10,12,16,18,20-decaene;22-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]-8-oxa-20,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16(21),17,19-decaene;8-(3-phenyl-5-quinolin-2-ylphenyl)-22-oxa-5,8-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2(7),3,5,9,11,13,16,18,20-decaene
SMILESCC1(C)c2cnccc2-c2c(n(-c3ccc(-c4ccccn4)c4ccccc34)c3ccccc23)-c2ccccc21.Cc1cccnc1-c1cc(-c2ncccc2C)cc(N2c3ccccc3-c3sc4ccncc4c3-c3ccccc32)c1.c1ccc(-c2cc(-c3ccc4ccccc4n3)cc(N3c4cnccc4-c4oc5ccccc5c4-c4ccccc43)c2)cc1.c1ccc(-c2cc(-c3cccc(-n4c5c(c6cccnc64)-c4ccccc4Oc4ccccc4-5)c3)nc(-c3ccccc3)n2)cc1
InChIInChI=1S/C41H26N4O.C40H25N3O.C37H26N4S.C37H27N3/c1-3-13-27(14-4-1)34-26-35(44-40(43-34)28-15-5-2-6-16-28)29-17-11-18-30(25-29)45-39-32-20-8-10-23-37(32)46-36-22-9-7-19-31(36)38(39)33-21-12-24-42-41(33)45;1-2-10-26(11-3-1)28-22-29(35-19-18-27-12-4-7-15-34(27)42-35)24-30(23-28)43-36-16-8-5-13-31(36)39-33-14-6-9-17-38(33)44-40(39)32-20-21-41-25-37(32)43;1-23-9-7-16-39-35(23)25-19-26(36-24(2)10-8-17-40-36)21-27(20-25)41-31-13-5-3-11-28(31)34-30-22-38-18-15-33(30)42-37(34)29-12-4-6-14-32(29)41;1-37(2)30-15-7-5-13-28(30)36-35(27-20-22-38-23-31(27)37)29-14-6-8-17-33(29)40(36)34-19-18-25(32-16-9-10-21-39-32)24-11-3-4-12-26(24)34/h1-26H;1-25H;3-22H,1-2H3;3-23H,1-2H3
InChIKeyFOFGEFPNZKVRBT-UHFFFAOYSA-N
MW2226.70 g/mol
LogP40.45
Rot. Bonds12

About 8-[3,5-bis(3-methyl-2-pyridinyl)phenyl]-22-thia-8,18-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16(21),17,19-decaene;8,8-dimethyl-22-(4-pyridin-2-ylnaphthalen-1-yl)-11,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9(14),10,12,16,18,20-decaene;22-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]-8-oxa-20,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16(21),17,19-decaene;8-(3-phenyl-5-quinolin-2-ylphenyl)-22-oxa-5,8-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2(7),3,5,9,11,13,16,18,20-decaene

8-[3,5-bis(3-methyl-2-pyridinyl)phenyl]-22-thia-8,18-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16(21),17,19-decaene;8,8-dimethyl-22-(4-pyridin-2-ylnaphthalen-1-yl)-11,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9(14),10,12,16,18,20-decaene;22-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]-8-oxa-20,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16(21),17,19-decaene;8-(3-phenyl-5-quinolin-2-ylphenyl)-22-oxa-5,8-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2(7),3,5,9,11,13,16,18,20-decaene (PubChem CID 158091978) has the molecular formula C155H104N14O2S and a molecular weight of 2226.70 g/mol. Its IUPAC name is 8-[3,5-bis(3-methyl-2-pyridinyl)phenyl]-22-thia-8,18-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16(21),17,19-decaene;8,8-dimethyl-22-(4-pyridin-2-ylnaphthalen-1-yl)-11,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9(14),10,12,16,18,20-decaene;22-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]-8-oxa-20,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16(21),17,19-decaene;8-(3-phenyl-5-quinolin-2-ylphenyl)-22-oxa-5,8-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2(7),3,5,9,11,13,16,18,20-decaene.

Molecular Properties

Compound Name8-[3,5-bis(3-methyl-2-pyridinyl)phenyl]-22-thia-8,18-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16(21),17,19-decaene;8,8-dimethyl-22-(4-pyridin-2-ylnaphthalen-1-yl)-11,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9(14),10,12,16,18,20-decaene;22-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]-8-oxa-20,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16(21),17,19-decaene;8-(3-phenyl-5-quinolin-2-ylphenyl)-22-oxa-5,8-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2(7),3,5,9,11,13,16,18,20-decaene
PubChem CID158091978
Molecular FormulaC155H104N14O2S
Molecular Weight2226.70 g/mol
Exact Mass2224.82
IUPAC Name8-[3,5-bis(3-methyl-2-pyridinyl)phenyl]-22-thia-8,18-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16(21),17,19-decaene;8,8-dimethyl-22-(4-pyridin-2-ylnaphthalen-1-yl)-11,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9(14),10,12,16,18,20-decaene;22-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]-8-oxa-20,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16(21),17,19-decaene;8-(3-phenyl-5-quinolin-2-ylphenyl)-22-oxa-5,8-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2(7),3,5,9,11,13,16,18,20-decaene
SMILESCC1(C)c2cnccc2-c2c(n(-c3ccc(-c4ccccn4)c4ccccc34)c3ccccc23)-c2ccccc21.Cc1cccnc1-c1cc(-c2ncccc2C)cc(N2c3ccccc3-c3sc4ccncc4c3-c3ccccc32)c1.c1ccc(-c2cc(-c3ccc4ccccc4n3)cc(N3c4cnccc4-c4oc5ccccc5c4-c4ccccc43)c2)cc1.c1ccc(-c2cc(-c3cccc(-n4c5c(c6cccnc64)-c4ccccc4Oc4ccccc4-5)c3)nc(-c3ccccc3)n2)cc1
InChIInChI=1S/C41H26N4O.C40H25N3O.C37H26N4S.C37H27N3/c1-3-13-27(14-4-1)34-26-35(44-40(43-34)28-15-5-2-6-16-28)29-17-11-18-30(25-29)45-39-32-20-8-10-23-37(32)46-36-22-9-7-19-31(36)38(39)33-21-12-24-42-41(33)45;1-2-10-26(11-3-1)28-22-29(35-19-18-27-12-4-7-15-34(27)42-35)24-30(23-28)43-36-16-8-5-13-31(36)39-33-14-6-9-17-38(33)44-40(39)32-20-21-41-25-37(32)43;1-23-9-7-16-39-35(23)25-19-26(36-24(2)10-8-17-40-36)21-27(20-25)41-31-13-5-3-11-28(31)34-30-22-38-18-15-33(30)42-37(34)29-12-4-6-14-32(29)41;1-37(2)30-15-7-5-13-28(30)36-35(27-20-22-38-23-31(27)37)29-14-6-8-17-33(29)40(36)34-19-18-25(32-16-9-10-21-39-32)24-11-3-4-12-26(24)34/h1-26H;1-25H;3-22H,1-2H3;3-23H,1-2H3
InChIKeyFOFGEFPNZKVRBT-UHFFFAOYSA-N
XLogP40.45
TPSA167.61 Ų
H-Bond Donors
H-Bond Acceptors17
Rotatable Bonds12
Heavy Atoms172
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002226.70
LogP ≤ 540.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1017

Analyze 8-[3,5-bis(3-methyl-2-pyridinyl)phenyl]-22-thia-8,18-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16(21),17,19-decaene;8,8-dimethyl-22-(4-pyridin-2-ylnaphthalen-1-yl)-11,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9(14),10,12,16,18,20-decaene;22-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]-8-oxa-20,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16(21),17,19-decaene;8-(3-phenyl-5-quinolin-2-ylphenyl)-22-oxa-5,8-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2(7),3,5,9,11,13,16,18,20-decaene with MolForge

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Related Compounds

N,N-bis[3-[2-(4-tert-butylphenyl)furo[2,3-c]pyridin-7-yl]-5-phenylbenzene-2-id-1-yl]-4,6-dimethylpyrimidin-5-amine;N,N-bis[3-[2-(2,6-dimethylphenyl)thieno[3,2-c]pyridin-4-yl]-5-phenylbenzene-2-id-1-yl]-2,4-dimethylpyridin-3-amine;N-[3-[2-(4-tert-butylphenyl)furo[2,3-c]pyridin-7-yl]-5-methylbenzene-2-id-1-yl]-N-[3-[2-(4-tert-butylphenyl)furo[2,3-c]pyridin-7-yl]-5-(trifluoromethyl)benzene-2-id-1-yl]-4,6-dimethylpyrimidin-5-amine;N-[3-(1-methylbenzimidazol-2-yl)benzene-2-id-1-yl]-3-phenyl-N-(2-phenylphenyl)-5-[2-(4-phenylphenyl)furo[3,2-c]pyridin-4-yl]benzene-6-id-1-amine;tetrakis(platinum(2+))
CID 157550492
CID 161814794
CID 161814794
9-[8-[4,6-Di(propan-2-yl)-8-[3-pyridin-2-yl-6-(3-pyrimidin-2-ylphenyl)carbazol-9-yl]dibenzofuran-2-yl]-4,6-di(propan-2-yl)dibenzothiophen-2-yl]-3-pyridin-2-yl-6-(3-pyrimidin-2-ylphenyl)carbazole
CID 57958351
8-[6-[5-[4,6-Di(dibenzothiophen-2-yl)pyrimidin-2-yl]indolo[2,3-b]carbazol-7-yl]-2-pyridinyl]-[1]benzofuro[3,2-c]pyridine
CID 117862971
8-[6-([1]Benzofuro[3,2-c]pyridin-8-yl)-2-[14-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)pyrimidin-5-yl]-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-9-yl]pyrimidin-4-yl]-[1]benzofuro[3,2-c]pyridine
CID 117863106
3-[3-[8-[3-[4,6-Bis(4-phenylpyrimidin-2-yl)-8-(2-pyridin-2-yl-3-pyridinyl)dibenzofuran-2-yl]phenyl]-4b,9b-dihydro-[1]benzothiolo[3,2-b][1]benzothiol-3-yl]phenyl]-9-[2-methyl-3-(2-methyl-3-pyrazin-2-ylphenyl)phenyl]-6-(2-pyrazin-2-yl-3-pyridinyl)pyrido[3,4-b]indole
CID 117983916
9-[8-[4,6-Di(propan-2-yl)-8-[3-(3-pyrazin-2-ylphenyl)-6-pyridin-2-ylcarbazol-9-yl]dibenzothiophen-2-yl]-4,6-di(propan-2-yl)dibenzofuran-2-yl]-3-pyridin-2-yl-6-(3-pyrimidin-2-ylphenyl)carbazole
CID 118055425
4-[3-[8-[3-[4,6-Bis(4-phenylpyrimidin-2-yl)-8-(2-pyridin-2-yl-3-pyridinyl)dibenzofuran-2-yl]phenyl]-[1]benzothiolo[3,2-b][1]benzothiol-3-yl]phenyl]-8-[2-methyl-3-(2-methyl-3-pyrazin-2-ylphenyl)phenyl]-12-(2-pyrazin-2-yl-3-pyridinyl)-5,8,11-triazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaene
CID 118446292
9-[8-[4,6-Di(propan-2-yl)-8-[3-pyridin-2-yl-6-(3-pyridin-2-ylphenyl)carbazol-9-yl]dibenzothiophen-2-yl]-4,6-di(propan-2-yl)dibenzofuran-2-yl]-3-pyridin-2-yl-6-(3-pyrimidin-2-ylphenyl)carbazole
CID 118634015
N,N-di(dibenzofuran-3-yl)-7-[4-(3,5-dimethylphenyl)pyrimidin-2-yl]-[1]benzothiolo[3,2-h]carbazol-8-amine
CID 122461090
11-[3-[4-[2-[3-([1]Benzothiolo[2,3-a]carbazol-12-yl)-5-pyrimidin-2-ylphenyl]pyrimidin-4-yl]pyrimidin-2-yl]-5-pyrimidin-2-ylphenyl]-[1]benzofuro[3,2-b]carbazole
CID 123312094
6-[2-[2-[1-[2,4-Di(propan-2-yl)dibenzofuran-3-yl]-3-methylimidazol-3-ium-2-yl]phenyl]ethyl]-1-[2,4-di(propan-2-yl)dibenzothiophen-3-yl]-5,6-diethyl-5-methylimidazo[2,1-a]isoquinolin-4-ium
CID 123399867

Frequently Asked Questions

What is the IUPAC name of 8-[3,5-bis(3-methyl-2-pyridinyl)phenyl]-22-thia-8,18-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16(21),17,19-decaene;8,8-dimethyl-22-(4-pyridin-2-ylnaphthalen-1-yl)-11,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9(14),10,12,16,18,20-decaene;22-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]-8-oxa-20,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16(21),17,19-decaene;8-(3-phenyl-5-quinolin-2-ylphenyl)-22-oxa-5,8-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2(7),3,5,9,11,13,16,18,20-decaene?
The IUPAC name of 8-[3,5-bis(3-methyl-2-pyridinyl)phenyl]-22-thia-8,18-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16(21),17,19-decaene;8,8-dimethyl-22-(4-pyridin-2-ylnaphthalen-1-yl)-11,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9(14),10,12,16,18,20-decaene;22-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]-8-oxa-20,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16(21),17,19-decaene;8-(3-phenyl-5-quinolin-2-ylphenyl)-22-oxa-5,8-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2(7),3,5,9,11,13,16,18,20-decaene (CID 158091978) is 8-[3,5-bis(3-methyl-2-pyridinyl)phenyl]-22-thia-8,18-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16(21),17,19-decaene;8,8-dimethyl-22-(4-pyridin-2-ylnaphthalen-1-yl)-11,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9(14),10,12,16,18,20-decaene;22-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]-8-oxa-20,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16(21),17,19-decaene;8-(3-phenyl-5-quinolin-2-ylphenyl)-22-oxa-5,8-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2(7),3,5,9,11,13,16,18,20-decaene.
What is the SMILES notation for 8-[3,5-bis(3-methyl-2-pyridinyl)phenyl]-22-thia-8,18-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16(21),17,19-decaene;8,8-dimethyl-22-(4-pyridin-2-ylnaphthalen-1-yl)-11,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9(14),10,12,16,18,20-decaene;22-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]-8-oxa-20,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16(21),17,19-decaene;8-(3-phenyl-5-quinolin-2-ylphenyl)-22-oxa-5,8-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2(7),3,5,9,11,13,16,18,20-decaene?
The canonical SMILES for 8-[3,5-bis(3-methyl-2-pyridinyl)phenyl]-22-thia-8,18-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16(21),17,19-decaene;8,8-dimethyl-22-(4-pyridin-2-ylnaphthalen-1-yl)-11,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9(14),10,12,16,18,20-decaene;22-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]-8-oxa-20,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16(21),17,19-decaene;8-(3-phenyl-5-quinolin-2-ylphenyl)-22-oxa-5,8-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2(7),3,5,9,11,13,16,18,20-decaene is CC1(C)c2cnccc2-c2c(n(-c3ccc(-c4ccccn4)c4ccccc34)c3ccccc23)-c2ccccc21.Cc1cccnc1-c1cc(-c2ncccc2C)cc(N2c3ccccc3-c3sc4ccncc4c3-c3ccccc32)c1.c1ccc(-c2cc(-c3ccc4ccccc4n3)cc(N3c4cnccc4-c4oc5ccccc5c4-c4ccccc43)c2)cc1.c1ccc(-c2cc(-c3cccc(-n4c5c(c6cccnc64)-c4ccccc4Oc4ccccc4-5)c3)nc(-c3ccccc3)n2)cc1.
What is the InChIKey of 8-[3,5-bis(3-methyl-2-pyridinyl)phenyl]-22-thia-8,18-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16(21),17,19-decaene;8,8-dimethyl-22-(4-pyridin-2-ylnaphthalen-1-yl)-11,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9(14),10,12,16,18,20-decaene;22-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]-8-oxa-20,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16(21),17,19-decaene;8-(3-phenyl-5-quinolin-2-ylphenyl)-22-oxa-5,8-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2(7),3,5,9,11,13,16,18,20-decaene?
The InChIKey is FOFGEFPNZKVRBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H26N4O.C40H25N3O.C37H26N4S.C37H27N3/c1-3-13-27(14-4-1)34-26-35(44-40(43-34)28-15-5-2-6-16-28)29-17-11-18-30(25-29)45-39-32-20-8-10-23-37(32)46-36-22-9-7-19-31(36)38(39)33-21-12-24-42-41(33)45;1-2-10-26(11-3-1)28-22-29(35-19-18-27-12-4-7-15-34(27)42-35)24-30(23-28)43-36-16-8-5-13-31(36)39-33-14-6-9-17-38(33)44-40(39)32-20-21-41-25-37(32)43;1-23-9-7-16-39-35(23)25-19-26(36-24(2)10-8-17-40-36)21-27(20-25)41-31-13-5-3-11-28(31)34-30-22-38-18-15-33(30)42-37(34)29-12-4-6-14-32(29)41;1-37(2)30-15-7-5-13-28(30)36-35(27-20-22-38-23-31(27)37)29-14-6-8-17-33(29)40(36)34-19-18-25(32-16-9-10-21-39-32)24-11-3-4-12-26(24)34/h1-26H;1-25H;3-22H,1-2H3;3-23H,1-2H3.
What are the key properties of 8-[3,5-bis(3-methyl-2-pyridinyl)phenyl]-22-thia-8,18-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16(21),17,19-decaene;8,8-dimethyl-22-(4-pyridin-2-ylnaphthalen-1-yl)-11,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9(14),10,12,16,18,20-decaene;22-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]-8-oxa-20,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16(21),17,19-decaene;8-(3-phenyl-5-quinolin-2-ylphenyl)-22-oxa-5,8-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2(7),3,5,9,11,13,16,18,20-decaene?
8-[3,5-bis(3-methyl-2-pyridinyl)phenyl]-22-thia-8,18-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16(21),17,19-decaene;8,8-dimethyl-22-(4-pyridin-2-ylnaphthalen-1-yl)-11,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9(14),10,12,16,18,20-decaene;22-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]-8-oxa-20,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16(21),17,19-decaene;8-(3-phenyl-5-quinolin-2-ylphenyl)-22-oxa-5,8-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2(7),3,5,9,11,13,16,18,20-decaene has a molecular weight of 2226.70 g/mol, XLogP of 40.45, 12 rotatable bonds, 0 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[3,5-bis(3-methyl-2-pyridinyl)phenyl]-22-thia-8,18-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16(21),17,19-decaene;8,8-dimethyl-22-(4-pyridin-2-ylnaphthalen-1-yl)-11,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9(14),10,12,16,18,20-decaene;22-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]-8-oxa-20,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16(21),17,19-decaene;8-(3-phenyl-5-quinolin-2-ylphenyl)-22-oxa-5,8-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2(7),3,5,9,11,13,16,18,20-decaene is sourced from PubChem (CID 158091978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).