11-(9,9-dimethylfluoren-2-yl)-15-phenyl-25-thia-11,15-diazaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.019,24]heptacosa-1(16),2(14),3,5,7,9,12,17,19,21,23,26-dodecaene;11-(9,9-diphenylfluoren-2-yl)-15-phenyl-25-thia-11,15-diazaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.019,24]heptacosa-1(16),2(14),3,5,7,9,12,17,19,21,23,26-dodecaene;15-phenyl-11-[4-(6-phenyl-2-pyridinyl)phenyl]-25-thia-11,15-diazaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.019,24]heptacosa-1(16),2(14),3,5,7,9,12,17,19,21,23,26-dodecaene

C147H93N7S3 — CID 161341820

IUPAC11-(9,9-dimethylfluoren-2-yl)-15-phenyl-25-thia-11,15-diazaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.019,24]heptacosa-1(16),2(14),3,5,7,9,12,17,19,21,23,26-dodecaene;11-(9,9-diphenylfluoren-2-yl)-15-phenyl-25-thia-11,15-diazaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.019,24]heptacosa-1(16),2(14),3,5,7,9,12,17,19,21,23,26-dodecaene;15-phenyl-11-[4-(6-phenyl-2-pyridinyl)phenyl]-25-thia-11,15-diazaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.019,24]heptacosa-1(16),2(14),3,5,7,9,12,17,19,21,23,26-dodecaene
SMILESCC1(C)c2ccccc2-c2ccc(-n3c4ccccc4c4cc5c6cc7sc8ccccc8c7cc6n(-c6ccccc6)c5cc43)cc21.c1ccc(-c2cccc(-c3ccc(-n4c5ccccc5c5cc6c7cc8sc9ccccc9c8cc7n(-c7ccccc7)c6cc54)cc3)n2)cc1.c1ccc(-n2c3cc4c(cc3c3cc5c6ccccc6n(-c6ccc7c(c6)C(c6ccccc6)(c6ccccc6)c6ccccc6-7)c5cc32)sc2ccccc24)cc1
InChIInChI=1S/C55H34N2S.C47H29N3S.C45H30N2S/c1-4-16-35(17-5-1)55(36-18-6-2-7-19-36)47-25-13-10-22-39(47)40-29-28-38(30-48(40)55)57-49-26-14-11-23-41(49)43-31-44-45-33-54-46(42-24-12-15-27-53(42)58-54)32-50(45)56(52(44)34-51(43)57)37-20-8-3-9-21-37;1-3-12-30(13-4-1)40-18-11-19-41(48-40)31-22-24-33(25-23-31)49-42-20-9-7-16-34(42)36-26-37-38-28-47-39(35-17-8-10-21-46(35)51-47)27-43(38)50(45(37)29-44(36)49)32-14-5-2-6-15-32;1-45(2)37-17-9-6-14-29(37)30-21-20-28(22-38(30)45)47-39-18-10-7-15-31(39)33-23-34-35-25-44-36(32-16-8-11-19-43(32)48-44)24-40(35)46(42(34)26-41(33)47)27-12-4-3-5-13-27/h1-34H;1-29H;3-26H,1-2H3
InChIKeyVMTOWGMFRNTFPF-UHFFFAOYSA-N
MW2053.61 g/mol
LogP40.14
Rot. Bonds10

About 11-(9,9-dimethylfluoren-2-yl)-15-phenyl-25-thia-11,15-diazaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.019,24]heptacosa-1(16),2(14),3,5,7,9,12,17,19,21,23,26-dodecaene;11-(9,9-diphenylfluoren-2-yl)-15-phenyl-25-thia-11,15-diazaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.019,24]heptacosa-1(16),2(14),3,5,7,9,12,17,19,21,23,26-dodecaene;15-phenyl-11-[4-(6-phenyl-2-pyridinyl)phenyl]-25-thia-11,15-diazaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.019,24]heptacosa-1(16),2(14),3,5,7,9,12,17,19,21,23,26-dodecaene

11-(9,9-dimethylfluoren-2-yl)-15-phenyl-25-thia-11,15-diazaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.019,24]heptacosa-1(16),2(14),3,5,7,9,12,17,19,21,23,26-dodecaene;11-(9,9-diphenylfluoren-2-yl)-15-phenyl-25-thia-11,15-diazaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.019,24]heptacosa-1(16),2(14),3,5,7,9,12,17,19,21,23,26-dodecaene;15-phenyl-11-[4-(6-phenyl-2-pyridinyl)phenyl]-25-thia-11,15-diazaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.019,24]heptacosa-1(16),2(14),3,5,7,9,12,17,19,21,23,26-dodecaene (PubChem CID 161341820) has the molecular formula C147H93N7S3 and a molecular weight of 2053.61 g/mol. Its IUPAC name is 11-(9,9-dimethylfluoren-2-yl)-15-phenyl-25-thia-11,15-diazaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.019,24]heptacosa-1(16),2(14),3,5,7,9,12,17,19,21,23,26-dodecaene;11-(9,9-diphenylfluoren-2-yl)-15-phenyl-25-thia-11,15-diazaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.019,24]heptacosa-1(16),2(14),3,5,7,9,12,17,19,21,23,26-dodecaene;15-phenyl-11-[4-(6-phenyl-2-pyridinyl)phenyl]-25-thia-11,15-diazaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.019,24]heptacosa-1(16),2(14),3,5,7,9,12,17,19,21,23,26-dodecaene.

Molecular Properties

Compound Name11-(9,9-dimethylfluoren-2-yl)-15-phenyl-25-thia-11,15-diazaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.019,24]heptacosa-1(16),2(14),3,5,7,9,12,17,19,21,23,26-dodecaene;11-(9,9-diphenylfluoren-2-yl)-15-phenyl-25-thia-11,15-diazaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.019,24]heptacosa-1(16),2(14),3,5,7,9,12,17,19,21,23,26-dodecaene;15-phenyl-11-[4-(6-phenyl-2-pyridinyl)phenyl]-25-thia-11,15-diazaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.019,24]heptacosa-1(16),2(14),3,5,7,9,12,17,19,21,23,26-dodecaene
PubChem CID161341820
Molecular FormulaC147H93N7S3
Molecular Weight2053.61 g/mol
Exact Mass2051.67
IUPAC Name11-(9,9-dimethylfluoren-2-yl)-15-phenyl-25-thia-11,15-diazaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.019,24]heptacosa-1(16),2(14),3,5,7,9,12,17,19,21,23,26-dodecaene;11-(9,9-diphenylfluoren-2-yl)-15-phenyl-25-thia-11,15-diazaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.019,24]heptacosa-1(16),2(14),3,5,7,9,12,17,19,21,23,26-dodecaene;15-phenyl-11-[4-(6-phenyl-2-pyridinyl)phenyl]-25-thia-11,15-diazaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.019,24]heptacosa-1(16),2(14),3,5,7,9,12,17,19,21,23,26-dodecaene
SMILESCC1(C)c2ccccc2-c2ccc(-n3c4ccccc4c4cc5c6cc7sc8ccccc8c7cc6n(-c6ccccc6)c5cc43)cc21.c1ccc(-c2cccc(-c3ccc(-n4c5ccccc5c5cc6c7cc8sc9ccccc9c8cc7n(-c7ccccc7)c6cc54)cc3)n2)cc1.c1ccc(-n2c3cc4c(cc3c3cc5c6ccccc6n(-c6ccc7c(c6)C(c6ccccc6)(c6ccccc6)c6ccccc6-7)c5cc32)sc2ccccc24)cc1
InChIInChI=1S/C55H34N2S.C47H29N3S.C45H30N2S/c1-4-16-35(17-5-1)55(36-18-6-2-7-19-36)47-25-13-10-22-39(47)40-29-28-38(30-48(40)55)57-49-26-14-11-23-41(49)43-31-44-45-33-54-46(42-24-12-15-27-53(42)58-54)32-50(45)56(52(44)34-51(43)57)37-20-8-3-9-21-37;1-3-12-30(13-4-1)40-18-11-19-41(48-40)31-22-24-33(25-23-31)49-42-20-9-7-16-34(42)36-26-37-38-28-47-39(35-17-8-10-21-46(35)51-47)27-43(38)50(45(37)29-44(36)49)32-14-5-2-6-15-32;1-45(2)37-17-9-6-14-29(37)30-21-20-28(22-38(30)45)47-39-18-10-7-15-31(39)33-23-34-35-25-44-36(32-16-8-11-19-43(32)48-44)24-40(35)46(42(34)26-41(33)47)27-12-4-3-5-13-27/h1-34H;1-29H;3-26H,1-2H3
InChIKeyVMTOWGMFRNTFPF-UHFFFAOYSA-N
XLogP40.14
TPSA42.47 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds10
Heavy Atoms157
Complexity

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002053.61
LogP ≤ 540.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Analyze 11-(9,9-dimethylfluoren-2-yl)-15-phenyl-25-thia-11,15-diazaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.019,24]heptacosa-1(16),2(14),3,5,7,9,12,17,19,21,23,26-dodecaene;11-(9,9-diphenylfluoren-2-yl)-15-phenyl-25-thia-11,15-diazaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.019,24]heptacosa-1(16),2(14),3,5,7,9,12,17,19,21,23,26-dodecaene;15-phenyl-11-[4-(6-phenyl-2-pyridinyl)phenyl]-25-thia-11,15-diazaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.019,24]heptacosa-1(16),2(14),3,5,7,9,12,17,19,21,23,26-dodecaene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Frequently Asked Questions

What is the IUPAC name of 11-(9,9-dimethylfluoren-2-yl)-15-phenyl-25-thia-11,15-diazaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.019,24]heptacosa-1(16),2(14),3,5,7,9,12,17,19,21,23,26-dodecaene;11-(9,9-diphenylfluoren-2-yl)-15-phenyl-25-thia-11,15-diazaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.019,24]heptacosa-1(16),2(14),3,5,7,9,12,17,19,21,23,26-dodecaene;15-phenyl-11-[4-(6-phenyl-2-pyridinyl)phenyl]-25-thia-11,15-diazaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.019,24]heptacosa-1(16),2(14),3,5,7,9,12,17,19,21,23,26-dodecaene?
The IUPAC name of 11-(9,9-dimethylfluoren-2-yl)-15-phenyl-25-thia-11,15-diazaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.019,24]heptacosa-1(16),2(14),3,5,7,9,12,17,19,21,23,26-dodecaene;11-(9,9-diphenylfluoren-2-yl)-15-phenyl-25-thia-11,15-diazaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.019,24]heptacosa-1(16),2(14),3,5,7,9,12,17,19,21,23,26-dodecaene;15-phenyl-11-[4-(6-phenyl-2-pyridinyl)phenyl]-25-thia-11,15-diazaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.019,24]heptacosa-1(16),2(14),3,5,7,9,12,17,19,21,23,26-dodecaene (CID 161341820) is 11-(9,9-dimethylfluoren-2-yl)-15-phenyl-25-thia-11,15-diazaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.019,24]heptacosa-1(16),2(14),3,5,7,9,12,17,19,21,23,26-dodecaene;11-(9,9-diphenylfluoren-2-yl)-15-phenyl-25-thia-11,15-diazaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.019,24]heptacosa-1(16),2(14),3,5,7,9,12,17,19,21,23,26-dodecaene;15-phenyl-11-[4-(6-phenyl-2-pyridinyl)phenyl]-25-thia-11,15-diazaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.019,24]heptacosa-1(16),2(14),3,5,7,9,12,17,19,21,23,26-dodecaene.
What is the SMILES notation for 11-(9,9-dimethylfluoren-2-yl)-15-phenyl-25-thia-11,15-diazaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.019,24]heptacosa-1(16),2(14),3,5,7,9,12,17,19,21,23,26-dodecaene;11-(9,9-diphenylfluoren-2-yl)-15-phenyl-25-thia-11,15-diazaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.019,24]heptacosa-1(16),2(14),3,5,7,9,12,17,19,21,23,26-dodecaene;15-phenyl-11-[4-(6-phenyl-2-pyridinyl)phenyl]-25-thia-11,15-diazaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.019,24]heptacosa-1(16),2(14),3,5,7,9,12,17,19,21,23,26-dodecaene?
The canonical SMILES for 11-(9,9-dimethylfluoren-2-yl)-15-phenyl-25-thia-11,15-diazaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.019,24]heptacosa-1(16),2(14),3,5,7,9,12,17,19,21,23,26-dodecaene;11-(9,9-diphenylfluoren-2-yl)-15-phenyl-25-thia-11,15-diazaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.019,24]heptacosa-1(16),2(14),3,5,7,9,12,17,19,21,23,26-dodecaene;15-phenyl-11-[4-(6-phenyl-2-pyridinyl)phenyl]-25-thia-11,15-diazaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.019,24]heptacosa-1(16),2(14),3,5,7,9,12,17,19,21,23,26-dodecaene is CC1(C)c2ccccc2-c2ccc(-n3c4ccccc4c4cc5c6cc7sc8ccccc8c7cc6n(-c6ccccc6)c5cc43)cc21.c1ccc(-c2cccc(-c3ccc(-n4c5ccccc5c5cc6c7cc8sc9ccccc9c8cc7n(-c7ccccc7)c6cc54)cc3)n2)cc1.c1ccc(-n2c3cc4c(cc3c3cc5c6ccccc6n(-c6ccc7c(c6)C(c6ccccc6)(c6ccccc6)c6ccccc6-7)c5cc32)sc2ccccc24)cc1.
What is the InChIKey of 11-(9,9-dimethylfluoren-2-yl)-15-phenyl-25-thia-11,15-diazaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.019,24]heptacosa-1(16),2(14),3,5,7,9,12,17,19,21,23,26-dodecaene;11-(9,9-diphenylfluoren-2-yl)-15-phenyl-25-thia-11,15-diazaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.019,24]heptacosa-1(16),2(14),3,5,7,9,12,17,19,21,23,26-dodecaene;15-phenyl-11-[4-(6-phenyl-2-pyridinyl)phenyl]-25-thia-11,15-diazaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.019,24]heptacosa-1(16),2(14),3,5,7,9,12,17,19,21,23,26-dodecaene?
The InChIKey is VMTOWGMFRNTFPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H34N2S.C47H29N3S.C45H30N2S/c1-4-16-35(17-5-1)55(36-18-6-2-7-19-36)47-25-13-10-22-39(47)40-29-28-38(30-48(40)55)57-49-26-14-11-23-41(49)43-31-44-45-33-54-46(42-24-12-15-27-53(42)58-54)32-50(45)56(52(44)34-51(43)57)37-20-8-3-9-21-37;1-3-12-30(13-4-1)40-18-11-19-41(48-40)31-22-24-33(25-23-31)49-42-20-9-7-16-34(42)36-26-37-38-28-47-39(35-17-8-10-21-46(35)51-47)27-43(38)50(45(37)29-44(36)49)32-14-5-2-6-15-32;1-45(2)37-17-9-6-14-29(37)30-21-20-28(22-38(30)45)47-39-18-10-7-15-31(39)33-23-34-35-25-44-36(32-16-8-11-19-43(32)48-44)24-40(35)46(42(34)26-41(33)47)27-12-4-3-5-13-27/h1-34H;1-29H;3-26H,1-2H3.
What are the key properties of 11-(9,9-dimethylfluoren-2-yl)-15-phenyl-25-thia-11,15-diazaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.019,24]heptacosa-1(16),2(14),3,5,7,9,12,17,19,21,23,26-dodecaene;11-(9,9-diphenylfluoren-2-yl)-15-phenyl-25-thia-11,15-diazaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.019,24]heptacosa-1(16),2(14),3,5,7,9,12,17,19,21,23,26-dodecaene;15-phenyl-11-[4-(6-phenyl-2-pyridinyl)phenyl]-25-thia-11,15-diazaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.019,24]heptacosa-1(16),2(14),3,5,7,9,12,17,19,21,23,26-dodecaene?
11-(9,9-dimethylfluoren-2-yl)-15-phenyl-25-thia-11,15-diazaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.019,24]heptacosa-1(16),2(14),3,5,7,9,12,17,19,21,23,26-dodecaene;11-(9,9-diphenylfluoren-2-yl)-15-phenyl-25-thia-11,15-diazaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.019,24]heptacosa-1(16),2(14),3,5,7,9,12,17,19,21,23,26-dodecaene;15-phenyl-11-[4-(6-phenyl-2-pyridinyl)phenyl]-25-thia-11,15-diazaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.019,24]heptacosa-1(16),2(14),3,5,7,9,12,17,19,21,23,26-dodecaene has a molecular weight of 2053.61 g/mol, XLogP of 40.14, 10 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 11-(9,9-dimethylfluoren-2-yl)-15-phenyl-25-thia-11,15-diazaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.019,24]heptacosa-1(16),2(14),3,5,7,9,12,17,19,21,23,26-dodecaene;11-(9,9-diphenylfluoren-2-yl)-15-phenyl-25-thia-11,15-diazaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.019,24]heptacosa-1(16),2(14),3,5,7,9,12,17,19,21,23,26-dodecaene;15-phenyl-11-[4-(6-phenyl-2-pyridinyl)phenyl]-25-thia-11,15-diazaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.019,24]heptacosa-1(16),2(14),3,5,7,9,12,17,19,21,23,26-dodecaene is sourced from PubChem (CID 161341820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).