24-[4-(9,9-dimethylfluoren-2-yl)pyrido[3,2-d]pyrimidin-2-yl]-3-thia-24-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene;24-[4-(3,5-diphenylphenyl)pyrido[3,2-d]pyrimidin-2-yl]-3-thia-24-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene;24-(4-naphthalen-2-ylpyrido[3,2-d]pyrimidin-2-yl)-3-thia-24-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene

C130H78N12S3 — CID 161390380

About 24-[4-(9,9-dimethylfluoren-2-yl)pyrido[3,2-d]pyrimidin-2-yl]-3-thia-24-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene;24-[4-(3,5-diphenylphenyl)pyrido[3,2-d]pyrimidin-2-yl]-3-thia-24-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene;24-(4-naphthalen-2-ylpyrido[3,2-d]pyrimidin-2-yl)-3-thia-24-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene

24-[4-(9,9-dimethylfluoren-2-yl)pyrido[3,2-d]pyrimidin-2-yl]-3-thia-24-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene;24-[4-(3,5-diphenylphenyl)pyrido[3,2-d]pyrimidin-2-yl]-3-thia-24-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene;24-(4-naphthalen-2-ylpyrido[3,2-d]pyrimidin-2-yl)-3-thia-24-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene (PubChem CID 161390380) has the molecular formula C130H78N12S3 and a molecular weight of 1904.34 g/mol. Its IUPAC name is 24-[4-(9,9-dimethylfluoren-2-yl)pyrido[3,2-d]pyrimidin-2-yl]-3-thia-24-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene;24-[4-(3,5-diphenylphenyl)pyrido[3,2-d]pyrimidin-2-yl]-3-thia-24-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene;24-(4-naphthalen-2-ylpyrido[3,2-d]pyrimidin-2-yl)-3-thia-24-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene.

Molecular Properties

• Compound Name: 24-[4-(9,9-dimethylfluoren-2-yl)pyrido[3,2-d]pyrimidin-2-yl]-3-thia-24-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene;24-[4-(3,5-diphenylphenyl)pyrido[3,2-d]pyrimidin-2-yl]-3-thia-24-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene;24-(4-naphthalen-2-ylpyrido[3,2-d]pyrimidin-2-yl)-3-thia-24-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene
• PubChem CID: 161390380
• Molecular Formula: C130H78N12S3
• Molecular Weight: 1904.34 g/mol
• Exact Mass: 1902.56
• IUPAC Name: 24-[4-(9,9-dimethylfluoren-2-yl)pyrido[3,2-d]pyrimidin-2-yl]-3-thia-24-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene;24-[4-(3,5-diphenylphenyl)pyrido[3,2-d]pyrimidin-2-yl]-3-thia-24-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene;24-(4-naphthalen-2-ylpyrido[3,2-d]pyrimidin-2-yl)-3-thia-24-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene
• SMILES: CC1(C)c2ccccc2-c2ccc(-c3nc(-n4c5ccccc5c5c6ccccc6c6c7ccccc7sc6c54)nc4cccnc34)cc21.c1ccc(-c2cc(-c3ccccc3)cc(-c3nc(-n4c5ccccc5c5c6ccccc6c6c7ccccc7sc6c54)nc4cccnc34)c2)cc1.c1ccc2cc(-c3nc(-n4c5ccccc5c5c6ccccc6c6c7ccccc7sc6c54)nc4cccnc34)ccc2c1
• InChI: InChI=1S/C47H28N4S.C44H28N4S.C39H22N4S/c1-3-14-29(15-4-1)31-26-32(30-16-5-2-6-17-30)28-33(27-31)43-44-38(22-13-25-48-44)49-47(50-43)51-39-23-11-9-20-36(39)41-34-18-7-8-19-35(34)42-37-21-10-12-24-40(37)52-46(42)45(41)51;1-44(2)32-17-8-5-12-26(32)27-22-21-25(24-33(27)44)39-40-34(18-11-23-45-40)46-43(47-39)48-35-19-9-6-15-30(35)37-28-13-3-4-14-29(28)38-31-16-7-10-20-36(31)49-42(38)41(37)48;1-2-11-24-22-25(20-19-23(24)10-1)35-36-30(16-9-21-40-36)41-39(42-35)43-31-17-7-5-14-28(31)33-26-12-3-4-13-27(26)34-29-15-6-8-18-32(29)44-38(34)37(33)43/h1-28H;3-24H,1-2H3;1-22H
• InChIKey: VSXILXLWHUJNOC-UHFFFAOYSA-N
• XLogP: 34.72
• TPSA: 130.80 Ų
• H-Bond Acceptors: 15
• Rotatable Bonds: 8
• Heavy Atoms: 145
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1904.34
LogP ≤ 5	34.72
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	15

Frequently Asked Questions

What is the IUPAC name of 24-[4-(9,9-dimethylfluoren-2-yl)pyrido[3,2-d]pyrimidin-2-yl]-3-thia-24-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene;24-[4-(3,5-diphenylphenyl)pyrido[3,2-d]pyrimidin-2-yl]-3-thia-24-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene;24-(4-naphthalen-2-ylpyrido[3,2-d]pyrimidin-2-yl)-3-thia-24-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene?

The IUPAC name of 24-[4-(9,9-dimethylfluoren-2-yl)pyrido[3,2-d]pyrimidin-2-yl]-3-thia-24-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene;24-[4-(3,5-diphenylphenyl)pyrido[3,2-d]pyrimidin-2-yl]-3-thia-24-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene;24-(4-naphthalen-2-ylpyrido[3,2-d]pyrimidin-2-yl)-3-thia-24-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene (CID 161390380) is 24-[4-(9,9-dimethylfluoren-2-yl)pyrido[3,2-d]pyrimidin-2-yl]-3-thia-24-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene;24-[4-(3,5-diphenylphenyl)pyrido[3,2-d]pyrimidin-2-yl]-3-thia-24-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene;24-(4-naphthalen-2-ylpyrido[3,2-d]pyrimidin-2-yl)-3-thia-24-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene.

What is the SMILES notation for 24-[4-(9,9-dimethylfluoren-2-yl)pyrido[3,2-d]pyrimidin-2-yl]-3-thia-24-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene;24-[4-(3,5-diphenylphenyl)pyrido[3,2-d]pyrimidin-2-yl]-3-thia-24-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene;24-(4-naphthalen-2-ylpyrido[3,2-d]pyrimidin-2-yl)-3-thia-24-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene?

The canonical SMILES for 24-[4-(9,9-dimethylfluoren-2-yl)pyrido[3,2-d]pyrimidin-2-yl]-3-thia-24-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene;24-[4-(3,5-diphenylphenyl)pyrido[3,2-d]pyrimidin-2-yl]-3-thia-24-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene;24-(4-naphthalen-2-ylpyrido[3,2-d]pyrimidin-2-yl)-3-thia-24-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene is CC1(C)c2ccccc2-c2ccc(-c3nc(-n4c5ccccc5c5c6ccccc6c6c7ccccc7sc6c54)nc4cccnc34)cc21.c1ccc(-c2cc(-c3ccccc3)cc(-c3nc(-n4c5ccccc5c5c6ccccc6c6c7ccccc7sc6c54)nc4cccnc34)c2)cc1.c1ccc2cc(-c3nc(-n4c5ccccc5c5c6ccccc6c6c7ccccc7sc6c54)nc4cccnc34)ccc2c1.

What is the InChIKey of 24-[4-(9,9-dimethylfluoren-2-yl)pyrido[3,2-d]pyrimidin-2-yl]-3-thia-24-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene;24-[4-(3,5-diphenylphenyl)pyrido[3,2-d]pyrimidin-2-yl]-3-thia-24-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene;24-(4-naphthalen-2-ylpyrido[3,2-d]pyrimidin-2-yl)-3-thia-24-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene?

The InChIKey is VSXILXLWHUJNOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H28N4S.C44H28N4S.C39H22N4S/c1-3-14-29(15-4-1)31-26-32(30-16-5-2-6-17-30)28-33(27-31)43-44-38(22-13-25-48-44)49-47(50-43)51-39-23-11-9-20-36(39)41-34-18-7-8-19-35(34)42-37-21-10-12-24-40(37)52-46(42)45(41)51;1-44(2)32-17-8-5-12-26(32)27-22-21-25(24-33(27)44)39-40-34(18-11-23-45-40)46-43(47-39)48-35-19-9-6-15-30(35)37-28-13-3-4-14-29(28)38-31-16-7-10-20-36(31)49-42(38)41(37)48;1-2-11-24-22-25(20-19-23(24)10-1)35-36-30(16-9-21-40-36)41-39(42-35)43-31-17-7-5-14-28(31)33-26-12-3-4-13-27(26)34-29-15-6-8-18-32(29)44-38(34)37(33)43/h1-28H;3-24H,1-2H3;1-22H.

What are the key properties of 24-[4-(9,9-dimethylfluoren-2-yl)pyrido[3,2-d]pyrimidin-2-yl]-3-thia-24-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene;24-[4-(3,5-diphenylphenyl)pyrido[3,2-d]pyrimidin-2-yl]-3-thia-24-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene;24-(4-naphthalen-2-ylpyrido[3,2-d]pyrimidin-2-yl)-3-thia-24-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene?

24-[4-(9,9-dimethylfluoren-2-yl)pyrido[3,2-d]pyrimidin-2-yl]-3-thia-24-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene;24-[4-(3,5-diphenylphenyl)pyrido[3,2-d]pyrimidin-2-yl]-3-thia-24-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene;24-(4-naphthalen-2-ylpyrido[3,2-d]pyrimidin-2-yl)-3-thia-24-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene has a molecular weight of 1904.34 g/mol, XLogP of 34.72, 8 rotatable bonds, 0 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for 24-[4-(9,9-dimethylfluoren-2-yl)pyrido[3,2-d]pyrimidin-2-yl]-3-thia-24-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene;24-[4-(3,5-diphenylphenyl)pyrido[3,2-d]pyrimidin-2-yl]-3-thia-24-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene;24-(4-naphthalen-2-ylpyrido[3,2-d]pyrimidin-2-yl)-3-thia-24-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene is sourced from PubChem (CID 161390380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).