9-[4-(9,9-dimethylfluoren-2-yl)pyrido[2,3-d]pyrimidin-2-yl]-24-thia-9-azahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11,13,15,18,20,22-undecaene;9-[4-(3,5-diphenylphenyl)pyrido[2,3-d]pyrimidin-2-yl]-24-thia-9-azahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11,13,15,18,20,22-undecaene;9-[4-[4-(2,3,4,5,6-pentadeuteriophenyl)pyrido[2,3-d]pyrimidin-2-yl]phenyl]-24-thia-9-azahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11,13,15,18,20,22-undecaene;9-[4-(4-phenylpyrido[2,3-d]pyrimidin-2-yl)phenyl]-24-thia-9-azahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11,13,15,18,20,22-undecaene

C173H104N16S4 — CID 159806271

About 9-[4-(9,9-dimethylfluoren-2-yl)pyrido[2,3-d]pyrimidin-2-yl]-24-thia-9-azahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11,13,15,18,20,22-undecaene;9-[4-(3,5-diphenylphenyl)pyrido[2,3-d]pyrimidin-2-yl]-24-thia-9-azahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11,13,15,18,20,22-undecaene;9-[4-[4-(2,3,4,5,6-pentadeuteriophenyl)pyrido[2,3-d]pyrimidin-2-yl]phenyl]-24-thia-9-azahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11,13,15,18,20,22-undecaene;9-[4-(4-phenylpyrido[2,3-d]pyrimidin-2-yl)phenyl]-24-thia-9-azahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11,13,15,18,20,22-undecaene

9-[4-(9,9-dimethylfluoren-2-yl)pyrido[2,3-d]pyrimidin-2-yl]-24-thia-9-azahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11,13,15,18,20,22-undecaene;9-[4-(3,5-diphenylphenyl)pyrido[2,3-d]pyrimidin-2-yl]-24-thia-9-azahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11,13,15,18,20,22-undecaene;9-[4-[4-(2,3,4,5,6-pentadeuteriophenyl)pyrido[2,3-d]pyrimidin-2-yl]phenyl]-24-thia-9-azahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11,13,15,18,20,22-undecaene;9-[4-(4-phenylpyrido[2,3-d]pyrimidin-2-yl)phenyl]-24-thia-9-azahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11,13,15,18,20,22-undecaene (PubChem CID 159806271) has the molecular formula C173H104N16S4 and a molecular weight of 2540.15 g/mol. Its IUPAC name is 9-[4-(9,9-dimethylfluoren-2-yl)pyrido[2,3-d]pyrimidin-2-yl]-24-thia-9-azahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11,13,15,18,20,22-undecaene;9-[4-(3,5-diphenylphenyl)pyrido[2,3-d]pyrimidin-2-yl]-24-thia-9-azahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11,13,15,18,20,22-undecaene;9-[4-[4-(2,3,4,5,6-pentadeuteriophenyl)pyrido[2,3-d]pyrimidin-2-yl]phenyl]-24-thia-9-azahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11,13,15,18,20,22-undecaene;9-[4-(4-phenylpyrido[2,3-d]pyrimidin-2-yl)phenyl]-24-thia-9-azahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11,13,15,18,20,22-undecaene.

Molecular Properties

• Compound Name: 9-[4-(9,9-dimethylfluoren-2-yl)pyrido[2,3-d]pyrimidin-2-yl]-24-thia-9-azahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11,13,15,18,20,22-undecaene;9-[4-(3,5-diphenylphenyl)pyrido[2,3-d]pyrimidin-2-yl]-24-thia-9-azahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11,13,15,18,20,22-undecaene;9-[4-[4-(2,3,4,5,6-pentadeuteriophenyl)pyrido[2,3-d]pyrimidin-2-yl]phenyl]-24-thia-9-azahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11,13,15,18,20,22-undecaene;9-[4-(4-phenylpyrido[2,3-d]pyrimidin-2-yl)phenyl]-24-thia-9-azahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11,13,15,18,20,22-undecaene
• PubChem CID: 159806271
• Molecular Formula: C173H104N16S4
• Molecular Weight: 2540.15 g/mol
• Exact Mass: 2537.78
• IUPAC Name: 9-[4-(9,9-dimethylfluoren-2-yl)pyrido[2,3-d]pyrimidin-2-yl]-24-thia-9-azahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11,13,15,18,20,22-undecaene;9-[4-(3,5-diphenylphenyl)pyrido[2,3-d]pyrimidin-2-yl]-24-thia-9-azahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11,13,15,18,20,22-undecaene;9-[4-[4-(2,3,4,5,6-pentadeuteriophenyl)pyrido[2,3-d]pyrimidin-2-yl]phenyl]-24-thia-9-azahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11,13,15,18,20,22-undecaene;9-[4-(4-phenylpyrido[2,3-d]pyrimidin-2-yl)phenyl]-24-thia-9-azahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11,13,15,18,20,22-undecaene
• SMILES: CC1(C)c2ccccc2-c2ccc(-c3nc(-n4c5ccccc5c5c6sc7ccccc7c6c6ccccc6c54)nc4ncccc34)cc21.[2H]c1c([2H])c([2H])c(-c2nc(-c3ccc(-n4c5ccccc5c5c6sc7ccccc7c6c6ccccc6c54)cc3)nc3ncccc23)c([2H])c1[2H].c1ccc(-c2cc(-c3ccccc3)cc(-c3nc(-n4c5ccccc5c5c6sc7ccccc7c6c6ccccc6c54)nc4ncccc34)c2)cc1.c1ccc(-c2nc(-c3ccc(-n4c5ccccc5c5c6sc7ccccc7c6c6ccccc6c54)cc3)nc3ncccc23)cc1
• InChI: InChI=1S/C47H28N4S.C44H28N4S.2C41H24N4S/c1-3-14-29(15-4-1)31-26-32(30-16-5-2-6-17-30)28-33(27-31)43-38-22-13-25-48-46(38)50-47(49-43)51-39-23-11-9-20-36(39)42-44(51)35-19-8-7-18-34(35)41-37-21-10-12-24-40(37)52-45(41)42;1-44(2)33-18-8-5-12-26(33)27-22-21-25(24-34(27)44)39-32-17-11-23-45-42(32)47-43(46-39)48-35-19-9-6-15-30(35)38-40(48)29-14-4-3-13-28(29)37-31-16-7-10-20-36(31)49-41(37)38;2*1-2-11-25(12-3-1)37-32-17-10-24-42-41(32)44-40(43-37)26-20-22-27(23-21-26)45-33-18-8-6-15-30(33)36-38(45)29-14-5-4-13-28(29)35-31-16-7-9-19-34(31)46-39(35)36/h1-28H;3-24H,1-2H3;2*1-24H/i;;1D,2D,3D,11D,12D
• InChIKey: NKKXWDMSHGLXFX-XUSXWDADSA-N
• XLogP: 46.21
• TPSA: 174.40 Ų
• H-Bond Acceptors: 20
• Rotatable Bonds: 12
• Heavy Atoms: 193
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2540.15
LogP ≤ 5	46.21
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	20

Frequently Asked Questions

What is the IUPAC name of 9-[4-(9,9-dimethylfluoren-2-yl)pyrido[2,3-d]pyrimidin-2-yl]-24-thia-9-azahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11,13,15,18,20,22-undecaene;9-[4-(3,5-diphenylphenyl)pyrido[2,3-d]pyrimidin-2-yl]-24-thia-9-azahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11,13,15,18,20,22-undecaene;9-[4-[4-(2,3,4,5,6-pentadeuteriophenyl)pyrido[2,3-d]pyrimidin-2-yl]phenyl]-24-thia-9-azahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11,13,15,18,20,22-undecaene;9-[4-(4-phenylpyrido[2,3-d]pyrimidin-2-yl)phenyl]-24-thia-9-azahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11,13,15,18,20,22-undecaene?

The IUPAC name of 9-[4-(9,9-dimethylfluoren-2-yl)pyrido[2,3-d]pyrimidin-2-yl]-24-thia-9-azahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11,13,15,18,20,22-undecaene;9-[4-(3,5-diphenylphenyl)pyrido[2,3-d]pyrimidin-2-yl]-24-thia-9-azahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11,13,15,18,20,22-undecaene;9-[4-[4-(2,3,4,5,6-pentadeuteriophenyl)pyrido[2,3-d]pyrimidin-2-yl]phenyl]-24-thia-9-azahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11,13,15,18,20,22-undecaene;9-[4-(4-phenylpyrido[2,3-d]pyrimidin-2-yl)phenyl]-24-thia-9-azahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11,13,15,18,20,22-undecaene (CID 159806271) is 9-[4-(9,9-dimethylfluoren-2-yl)pyrido[2,3-d]pyrimidin-2-yl]-24-thia-9-azahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11,13,15,18,20,22-undecaene;9-[4-(3,5-diphenylphenyl)pyrido[2,3-d]pyrimidin-2-yl]-24-thia-9-azahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11,13,15,18,20,22-undecaene;9-[4-[4-(2,3,4,5,6-pentadeuteriophenyl)pyrido[2,3-d]pyrimidin-2-yl]phenyl]-24-thia-9-azahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11,13,15,18,20,22-undecaene;9-[4-(4-phenylpyrido[2,3-d]pyrimidin-2-yl)phenyl]-24-thia-9-azahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11,13,15,18,20,22-undecaene.

What is the SMILES notation for 9-[4-(9,9-dimethylfluoren-2-yl)pyrido[2,3-d]pyrimidin-2-yl]-24-thia-9-azahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11,13,15,18,20,22-undecaene;9-[4-(3,5-diphenylphenyl)pyrido[2,3-d]pyrimidin-2-yl]-24-thia-9-azahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11,13,15,18,20,22-undecaene;9-[4-[4-(2,3,4,5,6-pentadeuteriophenyl)pyrido[2,3-d]pyrimidin-2-yl]phenyl]-24-thia-9-azahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11,13,15,18,20,22-undecaene;9-[4-(4-phenylpyrido[2,3-d]pyrimidin-2-yl)phenyl]-24-thia-9-azahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11,13,15,18,20,22-undecaene?

The canonical SMILES for 9-[4-(9,9-dimethylfluoren-2-yl)pyrido[2,3-d]pyrimidin-2-yl]-24-thia-9-azahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11,13,15,18,20,22-undecaene;9-[4-(3,5-diphenylphenyl)pyrido[2,3-d]pyrimidin-2-yl]-24-thia-9-azahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11,13,15,18,20,22-undecaene;9-[4-[4-(2,3,4,5,6-pentadeuteriophenyl)pyrido[2,3-d]pyrimidin-2-yl]phenyl]-24-thia-9-azahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11,13,15,18,20,22-undecaene;9-[4-(4-phenylpyrido[2,3-d]pyrimidin-2-yl)phenyl]-24-thia-9-azahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11,13,15,18,20,22-undecaene is CC1(C)c2ccccc2-c2ccc(-c3nc(-n4c5ccccc5c5c6sc7ccccc7c6c6ccccc6c54)nc4ncccc34)cc21.[2H]c1c([2H])c([2H])c(-c2nc(-c3ccc(-n4c5ccccc5c5c6sc7ccccc7c6c6ccccc6c54)cc3)nc3ncccc23)c([2H])c1[2H].c1ccc(-c2cc(-c3ccccc3)cc(-c3nc(-n4c5ccccc5c5c6sc7ccccc7c6c6ccccc6c54)nc4ncccc34)c2)cc1.c1ccc(-c2nc(-c3ccc(-n4c5ccccc5c5c6sc7ccccc7c6c6ccccc6c54)cc3)nc3ncccc23)cc1.

What is the InChIKey of 9-[4-(9,9-dimethylfluoren-2-yl)pyrido[2,3-d]pyrimidin-2-yl]-24-thia-9-azahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11,13,15,18,20,22-undecaene;9-[4-(3,5-diphenylphenyl)pyrido[2,3-d]pyrimidin-2-yl]-24-thia-9-azahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11,13,15,18,20,22-undecaene;9-[4-[4-(2,3,4,5,6-pentadeuteriophenyl)pyrido[2,3-d]pyrimidin-2-yl]phenyl]-24-thia-9-azahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11,13,15,18,20,22-undecaene;9-[4-(4-phenylpyrido[2,3-d]pyrimidin-2-yl)phenyl]-24-thia-9-azahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11,13,15,18,20,22-undecaene?

The InChIKey is NKKXWDMSHGLXFX-XUSXWDADSA-N. The full InChI is InChI=1S/C47H28N4S.C44H28N4S.2C41H24N4S/c1-3-14-29(15-4-1)31-26-32(30-16-5-2-6-17-30)28-33(27-31)43-38-22-13-25-48-46(38)50-47(49-43)51-39-23-11-9-20-36(39)42-44(51)35-19-8-7-18-34(35)41-37-21-10-12-24-40(37)52-45(41)42;1-44(2)33-18-8-5-12-26(33)27-22-21-25(24-34(27)44)39-32-17-11-23-45-42(32)47-43(46-39)48-35-19-9-6-15-30(35)38-40(48)29-14-4-3-13-28(29)37-31-16-7-10-20-36(31)49-41(37)38;2*1-2-11-25(12-3-1)37-32-17-10-24-42-41(32)44-40(43-37)26-20-22-27(23-21-26)45-33-18-8-6-15-30(33)36-38(45)29-14-5-4-13-28(29)35-31-16-7-9-19-34(31)46-39(35)36/h1-28H;3-24H,1-2H3;2*1-24H/i;;1D,2D,3D,11D,12D;.

What are the key properties of 9-[4-(9,9-dimethylfluoren-2-yl)pyrido[2,3-d]pyrimidin-2-yl]-24-thia-9-azahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11,13,15,18,20,22-undecaene;9-[4-(3,5-diphenylphenyl)pyrido[2,3-d]pyrimidin-2-yl]-24-thia-9-azahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11,13,15,18,20,22-undecaene;9-[4-[4-(2,3,4,5,6-pentadeuteriophenyl)pyrido[2,3-d]pyrimidin-2-yl]phenyl]-24-thia-9-azahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11,13,15,18,20,22-undecaene;9-[4-(4-phenylpyrido[2,3-d]pyrimidin-2-yl)phenyl]-24-thia-9-azahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11,13,15,18,20,22-undecaene?

9-[4-(9,9-dimethylfluoren-2-yl)pyrido[2,3-d]pyrimidin-2-yl]-24-thia-9-azahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11,13,15,18,20,22-undecaene;9-[4-(3,5-diphenylphenyl)pyrido[2,3-d]pyrimidin-2-yl]-24-thia-9-azahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11,13,15,18,20,22-undecaene;9-[4-[4-(2,3,4,5,6-pentadeuteriophenyl)pyrido[2,3-d]pyrimidin-2-yl]phenyl]-24-thia-9-azahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11,13,15,18,20,22-undecaene;9-[4-(4-phenylpyrido[2,3-d]pyrimidin-2-yl)phenyl]-24-thia-9-azahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11,13,15,18,20,22-undecaene has a molecular weight of 2540.15 g/mol, XLogP of 46.21, 12 rotatable bonds, 0 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for 9-[4-(9,9-dimethylfluoren-2-yl)pyrido[2,3-d]pyrimidin-2-yl]-24-thia-9-azahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11,13,15,18,20,22-undecaene;9-[4-(3,5-diphenylphenyl)pyrido[2,3-d]pyrimidin-2-yl]-24-thia-9-azahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11,13,15,18,20,22-undecaene;9-[4-[4-(2,3,4,5,6-pentadeuteriophenyl)pyrido[2,3-d]pyrimidin-2-yl]phenyl]-24-thia-9-azahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11,13,15,18,20,22-undecaene;9-[4-(4-phenylpyrido[2,3-d]pyrimidin-2-yl)phenyl]-24-thia-9-azahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11,13,15,18,20,22-undecaene is sourced from PubChem (CID 159806271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).