24-[3-[4-(3,5-diphenylphenyl)pyrido[3,2-d]pyrimidin-2-yl]phenyl]-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-[3-(4-naphthalen-1-ylpyrido[3,2-d]pyrimidin-2-yl)phenyl]-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-[3-(4-naphthalen-2-ylpyrido[3,2-d]pyrimidin-2-yl)phenyl]-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

C143H84N12S3 — CID 159512254

About 24-[3-[4-(3,5-diphenylphenyl)pyrido[3,2-d]pyrimidin-2-yl]phenyl]-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-[3-(4-naphthalen-1-ylpyrido[3,2-d]pyrimidin-2-yl)phenyl]-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-[3-(4-naphthalen-2-ylpyrido[3,2-d]pyrimidin-2-yl)phenyl]-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-[3-[4-(3,5-diphenylphenyl)pyrido[3,2-d]pyrimidin-2-yl]phenyl]-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-[3-(4-naphthalen-1-ylpyrido[3,2-d]pyrimidin-2-yl)phenyl]-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-[3-(4-naphthalen-2-ylpyrido[3,2-d]pyrimidin-2-yl)phenyl]-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 159512254) has the molecular formula C143H84N12S3 and a molecular weight of 2066.53 g/mol. Its IUPAC name is 24-[3-[4-(3,5-diphenylphenyl)pyrido[3,2-d]pyrimidin-2-yl]phenyl]-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-[3-(4-naphthalen-1-ylpyrido[3,2-d]pyrimidin-2-yl)phenyl]-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-[3-(4-naphthalen-2-ylpyrido[3,2-d]pyrimidin-2-yl)phenyl]-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-[3-[4-(3,5-diphenylphenyl)pyrido[3,2-d]pyrimidin-2-yl]phenyl]-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-[3-(4-naphthalen-1-ylpyrido[3,2-d]pyrimidin-2-yl)phenyl]-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-[3-(4-naphthalen-2-ylpyrido[3,2-d]pyrimidin-2-yl)phenyl]-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: 159512254
• Molecular Formula: C143H84N12S3
• Molecular Weight: 2066.53 g/mol
• Exact Mass: 2064.61
• IUPAC Name: 24-[3-[4-(3,5-diphenylphenyl)pyrido[3,2-d]pyrimidin-2-yl]phenyl]-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-[3-(4-naphthalen-1-ylpyrido[3,2-d]pyrimidin-2-yl)phenyl]-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-[3-(4-naphthalen-2-ylpyrido[3,2-d]pyrimidin-2-yl)phenyl]-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: c1cc(-c2nc(-c3ccc4ccccc4c3)c3ncccc3n2)cc(-n2c3ccccc3c3c4ccccc4c4c5ccccc5sc4c32)c1.c1cc(-c2nc(-c3cccc4ccccc34)c3ncccc3n2)cc(-n2c3ccccc3c3c4ccccc4c4c5ccccc5sc4c32)c1.c1ccc(-c2cc(-c3ccccc3)cc(-c3nc(-c4cccc(-n5c6ccccc6c6c7ccccc7c7c8ccccc8sc7c65)c4)nc4cccnc34)c2)cc1
• InChI: InChI=1S/C53H32N4S.2C45H26N4S/c1-3-15-33(16-4-1)36-29-37(34-17-5-2-6-18-34)31-38(30-36)49-50-44(25-14-28-54-50)55-53(56-49)35-19-13-20-39(32-35)57-45-26-11-9-23-42(45)47-40-21-7-8-22-41(40)48-43-24-10-12-27-46(43)58-52(48)51(47)57;1-2-16-30-27(12-1)13-10-21-33(30)41-42-36(22-11-25-46-42)47-45(48-41)28-14-9-15-29(26-28)49-37-23-7-5-19-34(37)39-31-17-3-4-18-32(31)40-35-20-6-8-24-38(35)50-44(40)43(39)49;1-2-12-28-25-29(23-22-27(28)11-1)41-42-36(19-10-24-46-42)47-45(48-41)30-13-9-14-31(26-30)49-37-20-7-5-17-34(37)39-32-15-3-4-16-33(32)40-35-18-6-8-21-38(35)50-44(40)43(39)49/h1-32H;2*1-26H
• InChIKey: MATDDBPDTJINMG-UHFFFAOYSA-N
• XLogP: 38.57
• TPSA: 130.80 Ų
• H-Bond Acceptors: 15
• Rotatable Bonds: 11
• Heavy Atoms: 158
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2066.53
LogP ≤ 5	38.57
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	15

Frequently Asked Questions

What is the IUPAC name of 24-[3-[4-(3,5-diphenylphenyl)pyrido[3,2-d]pyrimidin-2-yl]phenyl]-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-[3-(4-naphthalen-1-ylpyrido[3,2-d]pyrimidin-2-yl)phenyl]-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-[3-(4-naphthalen-2-ylpyrido[3,2-d]pyrimidin-2-yl)phenyl]-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-[3-[4-(3,5-diphenylphenyl)pyrido[3,2-d]pyrimidin-2-yl]phenyl]-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-[3-(4-naphthalen-1-ylpyrido[3,2-d]pyrimidin-2-yl)phenyl]-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-[3-(4-naphthalen-2-ylpyrido[3,2-d]pyrimidin-2-yl)phenyl]-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 159512254) is 24-[3-[4-(3,5-diphenylphenyl)pyrido[3,2-d]pyrimidin-2-yl]phenyl]-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-[3-(4-naphthalen-1-ylpyrido[3,2-d]pyrimidin-2-yl)phenyl]-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-[3-(4-naphthalen-2-ylpyrido[3,2-d]pyrimidin-2-yl)phenyl]-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-[3-[4-(3,5-diphenylphenyl)pyrido[3,2-d]pyrimidin-2-yl]phenyl]-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-[3-(4-naphthalen-1-ylpyrido[3,2-d]pyrimidin-2-yl)phenyl]-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-[3-(4-naphthalen-2-ylpyrido[3,2-d]pyrimidin-2-yl)phenyl]-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-[3-[4-(3,5-diphenylphenyl)pyrido[3,2-d]pyrimidin-2-yl]phenyl]-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-[3-(4-naphthalen-1-ylpyrido[3,2-d]pyrimidin-2-yl)phenyl]-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-[3-(4-naphthalen-2-ylpyrido[3,2-d]pyrimidin-2-yl)phenyl]-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 c1cc(-c2nc(-c3ccc4ccccc4c3)c3ncccc3n2)cc(-n2c3ccccc3c3c4ccccc4c4c5ccccc5sc4c32)c1.c1cc(-c2nc(-c3cccc4ccccc34)c3ncccc3n2)cc(-n2c3ccccc3c3c4ccccc4c4c5ccccc5sc4c32)c1.c1ccc(-c2cc(-c3ccccc3)cc(-c3nc(-c4cccc(-n5c6ccccc6c6c7ccccc7c7c8ccccc8sc7c65)c4)nc4cccnc34)c2)cc1.

What is the InChIKey of 24-[3-[4-(3,5-diphenylphenyl)pyrido[3,2-d]pyrimidin-2-yl]phenyl]-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-[3-(4-naphthalen-1-ylpyrido[3,2-d]pyrimidin-2-yl)phenyl]-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-[3-(4-naphthalen-2-ylpyrido[3,2-d]pyrimidin-2-yl)phenyl]-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 MATDDBPDTJINMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H32N4S.2C45H26N4S/c1-3-15-33(16-4-1)36-29-37(34-17-5-2-6-18-34)31-38(30-36)49-50-44(25-14-28-54-50)55-53(56-49)35-19-13-20-39(32-35)57-45-26-11-9-23-42(45)47-40-21-7-8-22-41(40)48-43-24-10-12-27-46(43)58-52(48)51(47)57;1-2-16-30-27(12-1)13-10-21-33(30)41-42-36(22-11-25-46-42)47-45(48-41)28-14-9-15-29(26-28)49-37-23-7-5-19-34(37)39-31-17-3-4-18-32(31)40-35-20-6-8-24-38(35)50-44(40)43(39)49;1-2-12-28-25-29(23-22-27(28)11-1)41-42-36(19-10-24-46-42)47-45(48-41)30-13-9-14-31(26-30)49-37-20-7-5-17-34(37)39-32-15-3-4-16-33(32)40-35-18-6-8-21-38(35)50-44(40)43(39)49/h1-32H;2*1-26H.

What are the key properties of 24-[3-[4-(3,5-diphenylphenyl)pyrido[3,2-d]pyrimidin-2-yl]phenyl]-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-[3-(4-naphthalen-1-ylpyrido[3,2-d]pyrimidin-2-yl)phenyl]-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-[3-(4-naphthalen-2-ylpyrido[3,2-d]pyrimidin-2-yl)phenyl]-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-[3-[4-(3,5-diphenylphenyl)pyrido[3,2-d]pyrimidin-2-yl]phenyl]-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-[3-(4-naphthalen-1-ylpyrido[3,2-d]pyrimidin-2-yl)phenyl]-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-[3-(4-naphthalen-2-ylpyrido[3,2-d]pyrimidin-2-yl)phenyl]-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 2066.53 g/mol, XLogP of 38.57, 11 rotatable bonds, 0 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for 24-[3-[4-(3,5-diphenylphenyl)pyrido[3,2-d]pyrimidin-2-yl]phenyl]-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-[3-(4-naphthalen-1-ylpyrido[3,2-d]pyrimidin-2-yl)phenyl]-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-[3-(4-naphthalen-2-ylpyrido[3,2-d]pyrimidin-2-yl)phenyl]-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 159512254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).