9-[3-[4-(9,9-dimethylfluoren-2-yl)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-[3-[4-(3,5-diphenylphenyl)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

C103H64N8S2 — CID 159540587

About 9-[3-[4-(9,9-dimethylfluoren-2-yl)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-[3-[4-(3,5-diphenylphenyl)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-[3-[4-(9,9-dimethylfluoren-2-yl)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-[3-[4-(3,5-diphenylphenyl)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 (PubChem CID 159540587) has the molecular formula C103H64N8S2 and a molecular weight of 1477.83 g/mol. Its IUPAC name is 9-[3-[4-(9,9-dimethylfluoren-2-yl)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-[3-[4-(3,5-diphenylphenyl)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.

Molecular Properties

• Compound Name: 9-[3-[4-(9,9-dimethylfluoren-2-yl)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-[3-[4-(3,5-diphenylphenyl)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
• PubChem CID: 159540587
• Molecular Formula: C103H64N8S2
• Molecular Weight: 1477.83 g/mol
• Exact Mass: 1476.47
• IUPAC Name: 9-[3-[4-(9,9-dimethylfluoren-2-yl)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-[3-[4-(3,5-diphenylphenyl)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
• SMILES: CC1(C)c2ccccc2-c2ccc(-c3nc(-c4cccc(-n5c6ccccc6c6c7sc8ccccc8c7c7ccccc7c65)c4)nc4ncccc34)cc21.c1ccc(-c2cc(-c3ccccc3)cc(-c3nc(-c4cccc(-n5c6ccccc6c6c7sc8ccccc8c7c7ccccc7c65)c4)nc4ncccc34)c2)cc1
• InChI: InChI=1S/C53H32N4S.C50H32N4S/c1-3-15-33(16-4-1)36-29-37(34-17-5-2-6-18-34)31-38(30-36)49-44-25-14-28-54-53(44)56-52(55-49)35-19-13-20-39(32-35)57-45-26-11-9-23-42(45)48-50(57)41-22-8-7-21-40(41)47-43-24-10-12-27-46(43)58-51(47)48;1-50(2)39-21-8-5-15-32(39)33-25-24-29(28-40(33)50)45-38-20-12-26-51-49(38)53-48(52-45)30-13-11-14-31(27-30)54-41-22-9-6-18-36(41)44-46(54)35-17-4-3-16-34(35)43-37-19-7-10-23-42(37)55-47(43)44/h1-32H;3-28H,1-2H3
• InChIKey: MEDOGZDZQQPVSE-UHFFFAOYSA-N
• XLogP: 27.59
• TPSA: 87.20 Ų
• H-Bond Acceptors: 10
• Rotatable Bonds: 8
• Heavy Atoms: 113
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1477.83
LogP ≤ 5	27.59
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of 9-[3-[4-(9,9-dimethylfluoren-2-yl)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-[3-[4-(3,5-diphenylphenyl)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?

The IUPAC name of 9-[3-[4-(9,9-dimethylfluoren-2-yl)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-[3-[4-(3,5-diphenylphenyl)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 (CID 159540587) is 9-[3-[4-(9,9-dimethylfluoren-2-yl)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-[3-[4-(3,5-diphenylphenyl)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.

What is the SMILES notation for 9-[3-[4-(9,9-dimethylfluoren-2-yl)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-[3-[4-(3,5-diphenylphenyl)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?

The canonical SMILES for 9-[3-[4-(9,9-dimethylfluoren-2-yl)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-[3-[4-(3,5-diphenylphenyl)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 is CC1(C)c2ccccc2-c2ccc(-c3nc(-c4cccc(-n5c6ccccc6c6c7sc8ccccc8c7c7ccccc7c65)c4)nc4ncccc34)cc21.c1ccc(-c2cc(-c3ccccc3)cc(-c3nc(-c4cccc(-n5c6ccccc6c6c7sc8ccccc8c7c7ccccc7c65)c4)nc4ncccc34)c2)cc1.

What is the InChIKey of 9-[3-[4-(9,9-dimethylfluoren-2-yl)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-[3-[4-(3,5-diphenylphenyl)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?

The InChIKey is MEDOGZDZQQPVSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H32N4S.C50H32N4S/c1-3-15-33(16-4-1)36-29-37(34-17-5-2-6-18-34)31-38(30-36)49-44-25-14-28-54-53(44)56-52(55-49)35-19-13-20-39(32-35)57-45-26-11-9-23-42(45)48-50(57)41-22-8-7-21-40(41)47-43-24-10-12-27-46(43)58-51(47)48;1-50(2)39-21-8-5-15-32(39)33-25-24-29(28-40(33)50)45-38-20-12-26-51-49(38)53-48(52-45)30-13-11-14-31(27-30)54-41-22-9-6-18-36(41)44-46(54)35-17-4-3-16-34(35)43-37-19-7-10-23-42(37)55-47(43)44/h1-32H;3-28H,1-2H3.

What are the key properties of 9-[3-[4-(9,9-dimethylfluoren-2-yl)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-[3-[4-(3,5-diphenylphenyl)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-[3-[4-(9,9-dimethylfluoren-2-yl)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-[3-[4-(3,5-diphenylphenyl)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 has a molecular weight of 1477.83 g/mol, XLogP of 27.59, 8 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 9-[3-[4-(9,9-dimethylfluoren-2-yl)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-[3-[4-(3,5-diphenylphenyl)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 is sourced from PubChem (CID 159540587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).