12-(1-benzothiophen-3-yl)-11-(2-methylpyrazol-3-yl)-7-phenyl-22-thia-7-azahexacyclo[11.11.0.02,10.04,8.015,23.016,21]tetracosa-1(13),2(10),3,5,8,11,14,16,18,20,23-undecaene;12-dibenzofuran-2-yl-7-phenyl-22-thia-7-azahexacyclo[11.11.0.02,10.04,8.015,23.016,21]tetracosa-1,3,5,8,10,12,14,16,18,20,23-undecaene;12-(4-methoxyphenyl)-7-phenyl-23-oxa-7-azahexacyclo[11.11.0.02,10.04,8.016,24.017,22]tetracosa-1,3,5,8,10,12,14,16(24),17,19,21-undecaene;7-phenyl-12-pyridin-3-yl-23-oxa-7-azahexacyclo[11.11.0.02,10.04,8.016,24.017,22]tetracosa-1,3,5,8,10,12,14,16(24),17,19,21-undecaene

C148H91N7O4S3 — CID 158321474

IUPAC12-(1-benzothiophen-3-yl)-11-(2-methylpyrazol-3-yl)-7-phenyl-22-thia-7-azahexacyclo[11.11.0.02,10.04,8.015,23.016,21]tetracosa-1(13),2(10),3,5,8,11,14,16,18,20,23-undecaene;12-dibenzofuran-2-yl-7-phenyl-22-thia-7-azahexacyclo[11.11.0.02,10.04,8.015,23.016,21]tetracosa-1,3,5,8,10,12,14,16,18,20,23-undecaene;12-(4-methoxyphenyl)-7-phenyl-23-oxa-7-azahexacyclo[11.11.0.02,10.04,8.016,24.017,22]tetracosa-1,3,5,8,10,12,14,16(24),17,19,21-undecaene;7-phenyl-12-pyridin-3-yl-23-oxa-7-azahexacyclo[11.11.0.02,10.04,8.016,24.017,22]tetracosa-1,3,5,8,10,12,14,16(24),17,19,21-undecaene
SMILESCOc1ccc(-c2cc3cc4c(ccn4-c4ccccc4)cc3c3c2ccc2c4ccccc4oc23)cc1.Cn1nccc1-c1c(-c2csc3ccccc23)c2cc3c(cc2c2cc4ccn(-c5ccccc5)c4cc12)sc1ccccc13.c1ccc(-n2ccc3cc4c(cc(-c5ccc6oc7ccccc7c6c5)c5cc6c(cc54)sc4ccccc46)cc32)cc1.c1ccc(-n2ccc3cc4c(cc(-c5cccnc5)c5ccc6c7ccccc7oc6c54)cc32)cc1
InChIInChI=1S/C40H25N3S2.C40H23NOS.C35H23NO2.C33H20N2O/c1-42-34(15-17-41-42)40-32-21-35-24(16-18-43(35)25-9-3-2-4-10-25)19-28(32)29-22-38-30(26-11-6-8-14-37(26)45-38)20-31(29)39(40)33-23-44-36-13-7-5-12-27(33)36;1-2-8-27(9-3-1)41-17-16-25-19-31-26(21-36(25)41)20-30(24-14-15-38-34(18-24)28-10-4-6-12-37(28)42-38)32-22-35-29-11-5-7-13-39(29)43-40(35)23-33(31)32;1-37-26-13-11-22(12-14-26)30-20-24-21-32-23(17-18-36(32)25-7-3-2-4-8-25)19-31(24)34-28(30)15-16-29-27-9-5-6-10-33(27)38-35(29)34;1-2-8-24(9-3-1)35-16-14-21-17-29-23(19-30(21)35)18-28(22-7-6-15-34-20-22)26-12-13-27-25-10-4-5-11-31(25)36-33(27)32(26)29/h2-23H,1H3;1-23H;2-21H,1H3;1-20H
InChIKeyGOXBOLGTDQQIOQ-UHFFFAOYSA-N
MW2127.60 g/mol
LogP41.87
Rot. Bonds10

About 12-(1-benzothiophen-3-yl)-11-(2-methylpyrazol-3-yl)-7-phenyl-22-thia-7-azahexacyclo[11.11.0.02,10.04,8.015,23.016,21]tetracosa-1(13),2(10),3,5,8,11,14,16,18,20,23-undecaene;12-dibenzofuran-2-yl-7-phenyl-22-thia-7-azahexacyclo[11.11.0.02,10.04,8.015,23.016,21]tetracosa-1,3,5,8,10,12,14,16,18,20,23-undecaene;12-(4-methoxyphenyl)-7-phenyl-23-oxa-7-azahexacyclo[11.11.0.02,10.04,8.016,24.017,22]tetracosa-1,3,5,8,10,12,14,16(24),17,19,21-undecaene;7-phenyl-12-pyridin-3-yl-23-oxa-7-azahexacyclo[11.11.0.02,10.04,8.016,24.017,22]tetracosa-1,3,5,8,10,12,14,16(24),17,19,21-undecaene

12-(1-benzothiophen-3-yl)-11-(2-methylpyrazol-3-yl)-7-phenyl-22-thia-7-azahexacyclo[11.11.0.02,10.04,8.015,23.016,21]tetracosa-1(13),2(10),3,5,8,11,14,16,18,20,23-undecaene;12-dibenzofuran-2-yl-7-phenyl-22-thia-7-azahexacyclo[11.11.0.02,10.04,8.015,23.016,21]tetracosa-1,3,5,8,10,12,14,16,18,20,23-undecaene;12-(4-methoxyphenyl)-7-phenyl-23-oxa-7-azahexacyclo[11.11.0.02,10.04,8.016,24.017,22]tetracosa-1,3,5,8,10,12,14,16(24),17,19,21-undecaene;7-phenyl-12-pyridin-3-yl-23-oxa-7-azahexacyclo[11.11.0.02,10.04,8.016,24.017,22]tetracosa-1,3,5,8,10,12,14,16(24),17,19,21-undecaene (PubChem CID 158321474) has the molecular formula C148H91N7O4S3 and a molecular weight of 2127.60 g/mol. Its IUPAC name is 12-(1-benzothiophen-3-yl)-11-(2-methylpyrazol-3-yl)-7-phenyl-22-thia-7-azahexacyclo[11.11.0.02,10.04,8.015,23.016,21]tetracosa-1(13),2(10),3,5,8,11,14,16,18,20,23-undecaene;12-dibenzofuran-2-yl-7-phenyl-22-thia-7-azahexacyclo[11.11.0.02,10.04,8.015,23.016,21]tetracosa-1,3,5,8,10,12,14,16,18,20,23-undecaene;12-(4-methoxyphenyl)-7-phenyl-23-oxa-7-azahexacyclo[11.11.0.02,10.04,8.016,24.017,22]tetracosa-1,3,5,8,10,12,14,16(24),17,19,21-undecaene;7-phenyl-12-pyridin-3-yl-23-oxa-7-azahexacyclo[11.11.0.02,10.04,8.016,24.017,22]tetracosa-1,3,5,8,10,12,14,16(24),17,19,21-undecaene.

Molecular Properties

Compound Name12-(1-benzothiophen-3-yl)-11-(2-methylpyrazol-3-yl)-7-phenyl-22-thia-7-azahexacyclo[11.11.0.02,10.04,8.015,23.016,21]tetracosa-1(13),2(10),3,5,8,11,14,16,18,20,23-undecaene;12-dibenzofuran-2-yl-7-phenyl-22-thia-7-azahexacyclo[11.11.0.02,10.04,8.015,23.016,21]tetracosa-1,3,5,8,10,12,14,16,18,20,23-undecaene;12-(4-methoxyphenyl)-7-phenyl-23-oxa-7-azahexacyclo[11.11.0.02,10.04,8.016,24.017,22]tetracosa-1,3,5,8,10,12,14,16(24),17,19,21-undecaene;7-phenyl-12-pyridin-3-yl-23-oxa-7-azahexacyclo[11.11.0.02,10.04,8.016,24.017,22]tetracosa-1,3,5,8,10,12,14,16(24),17,19,21-undecaene
PubChem CID158321474
Molecular FormulaC148H91N7O4S3
Molecular Weight2127.60 g/mol
Exact Mass2125.63
IUPAC Name12-(1-benzothiophen-3-yl)-11-(2-methylpyrazol-3-yl)-7-phenyl-22-thia-7-azahexacyclo[11.11.0.02,10.04,8.015,23.016,21]tetracosa-1(13),2(10),3,5,8,11,14,16,18,20,23-undecaene;12-dibenzofuran-2-yl-7-phenyl-22-thia-7-azahexacyclo[11.11.0.02,10.04,8.015,23.016,21]tetracosa-1,3,5,8,10,12,14,16,18,20,23-undecaene;12-(4-methoxyphenyl)-7-phenyl-23-oxa-7-azahexacyclo[11.11.0.02,10.04,8.016,24.017,22]tetracosa-1,3,5,8,10,12,14,16(24),17,19,21-undecaene;7-phenyl-12-pyridin-3-yl-23-oxa-7-azahexacyclo[11.11.0.02,10.04,8.016,24.017,22]tetracosa-1,3,5,8,10,12,14,16(24),17,19,21-undecaene
SMILESCOc1ccc(-c2cc3cc4c(ccn4-c4ccccc4)cc3c3c2ccc2c4ccccc4oc23)cc1.Cn1nccc1-c1c(-c2csc3ccccc23)c2cc3c(cc2c2cc4ccn(-c5ccccc5)c4cc12)sc1ccccc13.c1ccc(-n2ccc3cc4c(cc(-c5ccc6oc7ccccc7c6c5)c5cc6c(cc54)sc4ccccc46)cc32)cc1.c1ccc(-n2ccc3cc4c(cc(-c5cccnc5)c5ccc6c7ccccc7oc6c54)cc32)cc1
InChIInChI=1S/C40H25N3S2.C40H23NOS.C35H23NO2.C33H20N2O/c1-42-34(15-17-41-42)40-32-21-35-24(16-18-43(35)25-9-3-2-4-10-25)19-28(32)29-22-38-30(26-11-6-8-14-37(26)45-38)20-31(29)39(40)33-23-44-36-13-7-5-12-27(33)36;1-2-8-27(9-3-1)41-17-16-25-19-31-26(21-36(25)41)20-30(24-14-15-38-34(18-24)28-10-4-6-12-37(28)42-38)32-22-35-29-11-5-7-13-39(29)43-40(35)23-33(31)32;1-37-26-13-11-22(12-14-26)30-20-24-21-32-23(17-18-36(32)25-7-3-2-4-8-25)19-31(24)34-28(30)15-16-29-27-9-5-6-10-33(27)38-35(29)34;1-2-8-24(9-3-1)35-16-14-21-17-29-23(19-30(21)35)18-28(22-7-6-15-34-20-22)26-12-13-27-25-10-4-5-11-31(25)36-33(27)32(26)29/h2-23H,1H3;1-23H;2-21H,1H3;1-20H
InChIKeyGOXBOLGTDQQIOQ-UHFFFAOYSA-N
XLogP41.87
TPSA99.08 Ų
H-Bond Donors
H-Bond Acceptors14
Rotatable Bonds10
Heavy Atoms162
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002127.60
LogP ≤ 541.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1014

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 12-(1-benzothiophen-3-yl)-11-(2-methylpyrazol-3-yl)-7-phenyl-22-thia-7-azahexacyclo[11.11.0.02,10.04,8.015,23.016,21]tetracosa-1(13),2(10),3,5,8,11,14,16,18,20,23-undecaene;12-dibenzofuran-2-yl-7-phenyl-22-thia-7-azahexacyclo[11.11.0.02,10.04,8.015,23.016,21]tetracosa-1,3,5,8,10,12,14,16,18,20,23-undecaene;12-(4-methoxyphenyl)-7-phenyl-23-oxa-7-azahexacyclo[11.11.0.02,10.04,8.016,24.017,22]tetracosa-1,3,5,8,10,12,14,16(24),17,19,21-undecaene;7-phenyl-12-pyridin-3-yl-23-oxa-7-azahexacyclo[11.11.0.02,10.04,8.016,24.017,22]tetracosa-1,3,5,8,10,12,14,16(24),17,19,21-undecaene with MolForge

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Related Compounds

CID 157225149
CID 157225149
15-(1-benzothiophen-3-yl)-17-methyl-10-oxa-18-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1(21),2,4,6,8,11,13,15,17,19-decaene;15-dibenzofuran-2-yl-20-methyl-10-oxa-18-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1(21),2,4,6,8,11,13,15,17,19-decaene;4-(19-methyl-10-oxa-18-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1(21),2,4,6,8,11,13,15,17,19-decaen-15-yl)-N,N-diphenylaniline;15-(9-phenylcarbazol-3-yl)-10-oxa-19,20-diazapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1(21),2,4,6,8,11,13,15,17,19-decaene;12-[9-[4-(trifluoromethyl)phenyl]carbazol-3-yl]-17-oxa-10-azahexacyclo[12.11.0.02,11.04,9.016,24.018,23]pentacosa-1(25),2,4,6,8,10,12,14,16(24),18,20,22-dodecaene
CID 157258443
CID 159961606
CID 159961606
20-(4-Methoxyphenyl)-18-methyl-10-oxa-17-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14(19),15,17,20-decaene;17-methyl-20-(9-phenylcarbazol-3-yl)-10-thia-15,18-diazapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;15-methyl-20-[9-[4-(trifluoromethyl)phenyl]carbazol-3-yl]-10-thia-18-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;12-(9-phenylcarbazol-2-yl)-23-oxa-4-azahexacyclo[12.11.0.02,11.05,10.016,24.017,22]pentacosa-1(25),2(11),3,5,7,9,12,14,16(24),17,19,21-dodecaene
CID 160627340
1-benzothiophen-2-ylboronic acid;(3-tert-butylphenyl)boronic acid;(4-tert-butylphenyl)boronic acid;(3-cyanophenyl)boronic acid;(4-cyanophenyl)boronic acid;dibenzofuran-4-ylboronic acid;[3-(2-methylpyrazol-3-yl)phenyl]boronic acid;(6-methylquinolin-5-yl)boronic acid;[3-methyl-4-(trifluoromethoxy)phenyl]boronic acid;(10-phenyl-9H-acridin-3-yl)boronic acid;(6-phenylmethoxynaphthalen-2-yl)boronic acid;(3-phenylmethoxyphenyl)boronic acid;(4-pyrazol-1-ylphenyl)boronic acid;(2,3,5,6-tetramethylphenyl)boronic acid
CID 160645185
CID 160697263
CID 160697263
4-(1,1-Didecyl-3-hexylsilol-2-yl)-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;9-methyl-3-pentyl-2-[2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]-4-pyridinyl]carbazole;4-(2-pentyldibenzofuran-3-yl)-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;4-(2-pentyldibenzothiophen-3-yl)-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine
CID 160768550
3-[3-[3-[8-Dibenzothiophen-2-yl-1-[8-dibenzothiophen-2-yl-4-[3-[3-(9-pyrimidin-5-ylcarbazol-3-yl)phenyl]phenyl]dibenzofuran-1-yl]dibenzofuran-4-yl]phenyl]phenyl]-9-pyrimidin-5-ylcarbazole
CID 58059158
9-Phenyl-3-(2-pyridin-2-ylphenyl)-6-[8-[2-[8-(2-pyridin-2-ylphenyl)dibenzofuran-2-yl]dibenzothiophen-4-yl]dibenzofuran-2-yl]carbazole
CID 58059180
8-[[6-([1]Benzothiolo[3,2-c]pyridin-8-yloxymethyl)-2,8-bis[4-[(4-carbazol-9-yl-2-pyridinyl)methyl]-2,6-dimethylphenyl]dibenzofuran-4-yl]methoxy]-[1]benzothiolo[3,2-c]pyridine
CID 58501578
CID 59358404
CID 59358404
CID 59358486
CID 59358486

Frequently Asked Questions

What is the IUPAC name of 12-(1-benzothiophen-3-yl)-11-(2-methylpyrazol-3-yl)-7-phenyl-22-thia-7-azahexacyclo[11.11.0.02,10.04,8.015,23.016,21]tetracosa-1(13),2(10),3,5,8,11,14,16,18,20,23-undecaene;12-dibenzofuran-2-yl-7-phenyl-22-thia-7-azahexacyclo[11.11.0.02,10.04,8.015,23.016,21]tetracosa-1,3,5,8,10,12,14,16,18,20,23-undecaene;12-(4-methoxyphenyl)-7-phenyl-23-oxa-7-azahexacyclo[11.11.0.02,10.04,8.016,24.017,22]tetracosa-1,3,5,8,10,12,14,16(24),17,19,21-undecaene;7-phenyl-12-pyridin-3-yl-23-oxa-7-azahexacyclo[11.11.0.02,10.04,8.016,24.017,22]tetracosa-1,3,5,8,10,12,14,16(24),17,19,21-undecaene?
The IUPAC name of 12-(1-benzothiophen-3-yl)-11-(2-methylpyrazol-3-yl)-7-phenyl-22-thia-7-azahexacyclo[11.11.0.02,10.04,8.015,23.016,21]tetracosa-1(13),2(10),3,5,8,11,14,16,18,20,23-undecaene;12-dibenzofuran-2-yl-7-phenyl-22-thia-7-azahexacyclo[11.11.0.02,10.04,8.015,23.016,21]tetracosa-1,3,5,8,10,12,14,16,18,20,23-undecaene;12-(4-methoxyphenyl)-7-phenyl-23-oxa-7-azahexacyclo[11.11.0.02,10.04,8.016,24.017,22]tetracosa-1,3,5,8,10,12,14,16(24),17,19,21-undecaene;7-phenyl-12-pyridin-3-yl-23-oxa-7-azahexacyclo[11.11.0.02,10.04,8.016,24.017,22]tetracosa-1,3,5,8,10,12,14,16(24),17,19,21-undecaene (CID 158321474) is 12-(1-benzothiophen-3-yl)-11-(2-methylpyrazol-3-yl)-7-phenyl-22-thia-7-azahexacyclo[11.11.0.02,10.04,8.015,23.016,21]tetracosa-1(13),2(10),3,5,8,11,14,16,18,20,23-undecaene;12-dibenzofuran-2-yl-7-phenyl-22-thia-7-azahexacyclo[11.11.0.02,10.04,8.015,23.016,21]tetracosa-1,3,5,8,10,12,14,16,18,20,23-undecaene;12-(4-methoxyphenyl)-7-phenyl-23-oxa-7-azahexacyclo[11.11.0.02,10.04,8.016,24.017,22]tetracosa-1,3,5,8,10,12,14,16(24),17,19,21-undecaene;7-phenyl-12-pyridin-3-yl-23-oxa-7-azahexacyclo[11.11.0.02,10.04,8.016,24.017,22]tetracosa-1,3,5,8,10,12,14,16(24),17,19,21-undecaene.
What is the SMILES notation for 12-(1-benzothiophen-3-yl)-11-(2-methylpyrazol-3-yl)-7-phenyl-22-thia-7-azahexacyclo[11.11.0.02,10.04,8.015,23.016,21]tetracosa-1(13),2(10),3,5,8,11,14,16,18,20,23-undecaene;12-dibenzofuran-2-yl-7-phenyl-22-thia-7-azahexacyclo[11.11.0.02,10.04,8.015,23.016,21]tetracosa-1,3,5,8,10,12,14,16,18,20,23-undecaene;12-(4-methoxyphenyl)-7-phenyl-23-oxa-7-azahexacyclo[11.11.0.02,10.04,8.016,24.017,22]tetracosa-1,3,5,8,10,12,14,16(24),17,19,21-undecaene;7-phenyl-12-pyridin-3-yl-23-oxa-7-azahexacyclo[11.11.0.02,10.04,8.016,24.017,22]tetracosa-1,3,5,8,10,12,14,16(24),17,19,21-undecaene?
The canonical SMILES for 12-(1-benzothiophen-3-yl)-11-(2-methylpyrazol-3-yl)-7-phenyl-22-thia-7-azahexacyclo[11.11.0.02,10.04,8.015,23.016,21]tetracosa-1(13),2(10),3,5,8,11,14,16,18,20,23-undecaene;12-dibenzofuran-2-yl-7-phenyl-22-thia-7-azahexacyclo[11.11.0.02,10.04,8.015,23.016,21]tetracosa-1,3,5,8,10,12,14,16,18,20,23-undecaene;12-(4-methoxyphenyl)-7-phenyl-23-oxa-7-azahexacyclo[11.11.0.02,10.04,8.016,24.017,22]tetracosa-1,3,5,8,10,12,14,16(24),17,19,21-undecaene;7-phenyl-12-pyridin-3-yl-23-oxa-7-azahexacyclo[11.11.0.02,10.04,8.016,24.017,22]tetracosa-1,3,5,8,10,12,14,16(24),17,19,21-undecaene is COc1ccc(-c2cc3cc4c(ccn4-c4ccccc4)cc3c3c2ccc2c4ccccc4oc23)cc1.Cn1nccc1-c1c(-c2csc3ccccc23)c2cc3c(cc2c2cc4ccn(-c5ccccc5)c4cc12)sc1ccccc13.c1ccc(-n2ccc3cc4c(cc(-c5ccc6oc7ccccc7c6c5)c5cc6c(cc54)sc4ccccc46)cc32)cc1.c1ccc(-n2ccc3cc4c(cc(-c5cccnc5)c5ccc6c7ccccc7oc6c54)cc32)cc1.
What is the InChIKey of 12-(1-benzothiophen-3-yl)-11-(2-methylpyrazol-3-yl)-7-phenyl-22-thia-7-azahexacyclo[11.11.0.02,10.04,8.015,23.016,21]tetracosa-1(13),2(10),3,5,8,11,14,16,18,20,23-undecaene;12-dibenzofuran-2-yl-7-phenyl-22-thia-7-azahexacyclo[11.11.0.02,10.04,8.015,23.016,21]tetracosa-1,3,5,8,10,12,14,16,18,20,23-undecaene;12-(4-methoxyphenyl)-7-phenyl-23-oxa-7-azahexacyclo[11.11.0.02,10.04,8.016,24.017,22]tetracosa-1,3,5,8,10,12,14,16(24),17,19,21-undecaene;7-phenyl-12-pyridin-3-yl-23-oxa-7-azahexacyclo[11.11.0.02,10.04,8.016,24.017,22]tetracosa-1,3,5,8,10,12,14,16(24),17,19,21-undecaene?
The InChIKey is GOXBOLGTDQQIOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H25N3S2.C40H23NOS.C35H23NO2.C33H20N2O/c1-42-34(15-17-41-42)40-32-21-35-24(16-18-43(35)25-9-3-2-4-10-25)19-28(32)29-22-38-30(26-11-6-8-14-37(26)45-38)20-31(29)39(40)33-23-44-36-13-7-5-12-27(33)36;1-2-8-27(9-3-1)41-17-16-25-19-31-26(21-36(25)41)20-30(24-14-15-38-34(18-24)28-10-4-6-12-37(28)42-38)32-22-35-29-11-5-7-13-39(29)43-40(35)23-33(31)32;1-37-26-13-11-22(12-14-26)30-20-24-21-32-23(17-18-36(32)25-7-3-2-4-8-25)19-31(24)34-28(30)15-16-29-27-9-5-6-10-33(27)38-35(29)34;1-2-8-24(9-3-1)35-16-14-21-17-29-23(19-30(21)35)18-28(22-7-6-15-34-20-22)26-12-13-27-25-10-4-5-11-31(25)36-33(27)32(26)29/h2-23H,1H3;1-23H;2-21H,1H3;1-20H.
What are the key properties of 12-(1-benzothiophen-3-yl)-11-(2-methylpyrazol-3-yl)-7-phenyl-22-thia-7-azahexacyclo[11.11.0.02,10.04,8.015,23.016,21]tetracosa-1(13),2(10),3,5,8,11,14,16,18,20,23-undecaene;12-dibenzofuran-2-yl-7-phenyl-22-thia-7-azahexacyclo[11.11.0.02,10.04,8.015,23.016,21]tetracosa-1,3,5,8,10,12,14,16,18,20,23-undecaene;12-(4-methoxyphenyl)-7-phenyl-23-oxa-7-azahexacyclo[11.11.0.02,10.04,8.016,24.017,22]tetracosa-1,3,5,8,10,12,14,16(24),17,19,21-undecaene;7-phenyl-12-pyridin-3-yl-23-oxa-7-azahexacyclo[11.11.0.02,10.04,8.016,24.017,22]tetracosa-1,3,5,8,10,12,14,16(24),17,19,21-undecaene?
12-(1-benzothiophen-3-yl)-11-(2-methylpyrazol-3-yl)-7-phenyl-22-thia-7-azahexacyclo[11.11.0.02,10.04,8.015,23.016,21]tetracosa-1(13),2(10),3,5,8,11,14,16,18,20,23-undecaene;12-dibenzofuran-2-yl-7-phenyl-22-thia-7-azahexacyclo[11.11.0.02,10.04,8.015,23.016,21]tetracosa-1,3,5,8,10,12,14,16,18,20,23-undecaene;12-(4-methoxyphenyl)-7-phenyl-23-oxa-7-azahexacyclo[11.11.0.02,10.04,8.016,24.017,22]tetracosa-1,3,5,8,10,12,14,16(24),17,19,21-undecaene;7-phenyl-12-pyridin-3-yl-23-oxa-7-azahexacyclo[11.11.0.02,10.04,8.016,24.017,22]tetracosa-1,3,5,8,10,12,14,16(24),17,19,21-undecaene has a molecular weight of 2127.60 g/mol, XLogP of 41.87, 10 rotatable bonds, 0 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 12-(1-benzothiophen-3-yl)-11-(2-methylpyrazol-3-yl)-7-phenyl-22-thia-7-azahexacyclo[11.11.0.02,10.04,8.015,23.016,21]tetracosa-1(13),2(10),3,5,8,11,14,16,18,20,23-undecaene;12-dibenzofuran-2-yl-7-phenyl-22-thia-7-azahexacyclo[11.11.0.02,10.04,8.015,23.016,21]tetracosa-1,3,5,8,10,12,14,16,18,20,23-undecaene;12-(4-methoxyphenyl)-7-phenyl-23-oxa-7-azahexacyclo[11.11.0.02,10.04,8.016,24.017,22]tetracosa-1,3,5,8,10,12,14,16(24),17,19,21-undecaene;7-phenyl-12-pyridin-3-yl-23-oxa-7-azahexacyclo[11.11.0.02,10.04,8.016,24.017,22]tetracosa-1,3,5,8,10,12,14,16(24),17,19,21-undecaene is sourced from PubChem (CID 158321474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).