20-[4-(2,6-diphenyl-4-pyridinyl)phenyl]-24-phenyl-7-[3-[6-phenyl-2-[4-[24-phenyl-7-[3-[4-phenyl-6-[4-(24-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(23),19,21-undecaen-20-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]-3-thia-24-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4(9),5,7,11,13,15,18(23),19,21-undecaen-20-yl]phenyl]pyrimidin-4-yl]phenyl]-3-thia-24-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4(9),5,7,11,13,15,18(23),19,21-undecaene

C150H89N9S3 — CID 130184112

About 20-[4-(2,6-diphenyl-4-pyridinyl)phenyl]-24-phenyl-7-[3-[6-phenyl-2-[4-[24-phenyl-7-[3-[4-phenyl-6-[4-(24-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(23),19,21-undecaen-20-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]-3-thia-24-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4(9),5,7,11,13,15,18(23),19,21-undecaen-20-yl]phenyl]pyrimidin-4-yl]phenyl]-3-thia-24-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4(9),5,7,11,13,15,18(23),19,21-undecaene

20-[4-(2,6-diphenyl-4-pyridinyl)phenyl]-24-phenyl-7-[3-[6-phenyl-2-[4-[24-phenyl-7-[3-[4-phenyl-6-[4-(24-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(23),19,21-undecaen-20-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]-3-thia-24-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4(9),5,7,11,13,15,18(23),19,21-undecaen-20-yl]phenyl]pyrimidin-4-yl]phenyl]-3-thia-24-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4(9),5,7,11,13,15,18(23),19,21-undecaene (PubChem CID 130184112) has the molecular formula C150H89N9S3 and a molecular weight of 2113.63 g/mol. Its IUPAC name is 20-[4-(2,6-diphenyl-4-pyridinyl)phenyl]-24-phenyl-7-[3-[6-phenyl-2-[4-[24-phenyl-7-[3-[4-phenyl-6-[4-(24-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(23),19,21-undecaen-20-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]-3-thia-24-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4(9),5,7,11,13,15,18(23),19,21-undecaen-20-yl]phenyl]pyrimidin-4-yl]phenyl]-3-thia-24-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4(9),5,7,11,13,15,18(23),19,21-undecaene.

Molecular Properties

• Compound Name: 20-[4-(2,6-diphenyl-4-pyridinyl)phenyl]-24-phenyl-7-[3-[6-phenyl-2-[4-[24-phenyl-7-[3-[4-phenyl-6-[4-(24-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(23),19,21-undecaen-20-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]-3-thia-24-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4(9),5,7,11,13,15,18(23),19,21-undecaen-20-yl]phenyl]pyrimidin-4-yl]phenyl]-3-thia-24-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4(9),5,7,11,13,15,18(23),19,21-undecaene
• PubChem CID: 130184112
• Molecular Formula: C150H89N9S3
• Molecular Weight: 2113.63 g/mol
• Exact Mass: 2111.64
• IUPAC Name: 20-[4-(2,6-diphenyl-4-pyridinyl)phenyl]-24-phenyl-7-[3-[6-phenyl-2-[4-[24-phenyl-7-[3-[4-phenyl-6-[4-(24-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(23),19,21-undecaen-20-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]-3-thia-24-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4(9),5,7,11,13,15,18(23),19,21-undecaen-20-yl]phenyl]pyrimidin-4-yl]phenyl]-3-thia-24-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4(9),5,7,11,13,15,18(23),19,21-undecaene
• SMILES: c1ccc(-c2cc(-c3ccc(-c4ccc5c(c4)c4c6ccccc6c6c7cc(-c8cccc(-c9cc(-c%10ccccc%10)nc(-c%10ccc(-c%11ccc%12c(c%11)c%11c%13ccccc%13c%13c%14cc(-c%15cccc(-c%16nc(-c%17ccccc%17)nc(-c%17ccc(-c%18ccc%19c(c%18)c%18c%20ccccc%20c%20c%21ccccc%21sc%20c%18n%19-c%18ccccc%18)cc%17)n%16)c%15)ccc%14sc%13c%11n%12-c%11ccccc%11)cc%10)n9)c8)ccc7sc6c4n5-c4ccccc4)cc3)cc(-c3ccccc3)n2)cc1
• InChI: InChI=1S/C150H89N9S3/c1-8-32-94(33-9-1)125-87-109(88-126(151-125)95-34-10-2-11-35-95)93-60-58-90(59-61-93)102-70-75-130-121(82-102)136-114-51-23-26-54-117(114)139-123-85-105(73-78-133(123)161-145(139)142(136)158(130)111-46-18-6-19-47-111)100-40-30-42-107(80-100)128-89-127(96-36-12-3-13-37-96)152-147(153-128)98-66-62-91(63-67-98)103-72-77-131-122(84-103)137-115-52-24-27-55-118(115)140-124-86-106(74-79-134(124)162-146(140)143(137)159(131)112-48-20-7-21-49-112)101-41-31-43-108(81-101)150-155-148(97-38-14-4-15-39-97)154-149(156-150)99-68-64-92(65-69-99)104-71-76-129-120(83-104)135-113-50-22-25-53-116(113)138-119-56-28-29-57-132(119)160-144(138)141(135)157(129)110-44-16-5-17-45-110/h1-89H
• InChIKey: SASQHIUOASOUIJ-UHFFFAOYSA-N
• XLogP: 41.25
• TPSA: 92.13 Ų
• H-Bond Acceptors: 12
• Rotatable Bonds: 17
• Heavy Atoms: 162
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2113.63
LogP ≤ 5	41.25
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	12

Frequently Asked Questions

What is the IUPAC name of 20-[4-(2,6-diphenyl-4-pyridinyl)phenyl]-24-phenyl-7-[3-[6-phenyl-2-[4-[24-phenyl-7-[3-[4-phenyl-6-[4-(24-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(23),19,21-undecaen-20-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]-3-thia-24-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4(9),5,7,11,13,15,18(23),19,21-undecaen-20-yl]phenyl]pyrimidin-4-yl]phenyl]-3-thia-24-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4(9),5,7,11,13,15,18(23),19,21-undecaene?

The IUPAC name of 20-[4-(2,6-diphenyl-4-pyridinyl)phenyl]-24-phenyl-7-[3-[6-phenyl-2-[4-[24-phenyl-7-[3-[4-phenyl-6-[4-(24-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(23),19,21-undecaen-20-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]-3-thia-24-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4(9),5,7,11,13,15,18(23),19,21-undecaen-20-yl]phenyl]pyrimidin-4-yl]phenyl]-3-thia-24-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4(9),5,7,11,13,15,18(23),19,21-undecaene (CID 130184112) is 20-[4-(2,6-diphenyl-4-pyridinyl)phenyl]-24-phenyl-7-[3-[6-phenyl-2-[4-[24-phenyl-7-[3-[4-phenyl-6-[4-(24-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(23),19,21-undecaen-20-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]-3-thia-24-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4(9),5,7,11,13,15,18(23),19,21-undecaen-20-yl]phenyl]pyrimidin-4-yl]phenyl]-3-thia-24-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4(9),5,7,11,13,15,18(23),19,21-undecaene.

What is the SMILES notation for 20-[4-(2,6-diphenyl-4-pyridinyl)phenyl]-24-phenyl-7-[3-[6-phenyl-2-[4-[24-phenyl-7-[3-[4-phenyl-6-[4-(24-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(23),19,21-undecaen-20-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]-3-thia-24-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4(9),5,7,11,13,15,18(23),19,21-undecaen-20-yl]phenyl]pyrimidin-4-yl]phenyl]-3-thia-24-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4(9),5,7,11,13,15,18(23),19,21-undecaene?

The canonical SMILES for 20-[4-(2,6-diphenyl-4-pyridinyl)phenyl]-24-phenyl-7-[3-[6-phenyl-2-[4-[24-phenyl-7-[3-[4-phenyl-6-[4-(24-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(23),19,21-undecaen-20-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]-3-thia-24-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4(9),5,7,11,13,15,18(23),19,21-undecaen-20-yl]phenyl]pyrimidin-4-yl]phenyl]-3-thia-24-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4(9),5,7,11,13,15,18(23),19,21-undecaene is c1ccc(-c2cc(-c3ccc(-c4ccc5c(c4)c4c6ccccc6c6c7cc(-c8cccc(-c9cc(-c%10ccccc%10)nc(-c%10ccc(-c%11ccc%12c(c%11)c%11c%13ccccc%13c%13c%14cc(-c%15cccc(-c%16nc(-c%17ccccc%17)nc(-c%17ccc(-c%18ccc%19c(c%18)c%18c%20ccccc%20c%20c%21ccccc%21sc%20c%18n%19-c%18ccccc%18)cc%17)n%16)c%15)ccc%14sc%13c%11n%12-c%11ccccc%11)cc%10)n9)c8)ccc7sc6c4n5-c4ccccc4)cc3)cc(-c3ccccc3)n2)cc1.

What is the InChIKey of 20-[4-(2,6-diphenyl-4-pyridinyl)phenyl]-24-phenyl-7-[3-[6-phenyl-2-[4-[24-phenyl-7-[3-[4-phenyl-6-[4-(24-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(23),19,21-undecaen-20-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]-3-thia-24-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4(9),5,7,11,13,15,18(23),19,21-undecaen-20-yl]phenyl]pyrimidin-4-yl]phenyl]-3-thia-24-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4(9),5,7,11,13,15,18(23),19,21-undecaene?

The InChIKey is SASQHIUOASOUIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C150H89N9S3/c1-8-32-94(33-9-1)125-87-109(88-126(151-125)95-34-10-2-11-35-95)93-60-58-90(59-61-93)102-70-75-130-121(82-102)136-114-51-23-26-54-117(114)139-123-85-105(73-78-133(123)161-145(139)142(136)158(130)111-46-18-6-19-47-111)100-40-30-42-107(80-100)128-89-127(96-36-12-3-13-37-96)152-147(153-128)98-66-62-91(63-67-98)103-72-77-131-122(84-103)137-115-52-24-27-55-118(115)140-124-86-106(74-79-134(124)162-146(140)143(137)159(131)112-48-20-7-21-49-112)101-41-31-43-108(81-101)150-155-148(97-38-14-4-15-39-97)154-149(156-150)99-68-64-92(65-69-99)104-71-76-129-120(83-104)135-113-50-22-25-53-116(113)138-119-56-28-29-57-132(119)160-144(138)141(135)157(129)110-44-16-5-17-45-110/h1-89H.

What are the key properties of 20-[4-(2,6-diphenyl-4-pyridinyl)phenyl]-24-phenyl-7-[3-[6-phenyl-2-[4-[24-phenyl-7-[3-[4-phenyl-6-[4-(24-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(23),19,21-undecaen-20-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]-3-thia-24-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4(9),5,7,11,13,15,18(23),19,21-undecaen-20-yl]phenyl]pyrimidin-4-yl]phenyl]-3-thia-24-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4(9),5,7,11,13,15,18(23),19,21-undecaene?

20-[4-(2,6-diphenyl-4-pyridinyl)phenyl]-24-phenyl-7-[3-[6-phenyl-2-[4-[24-phenyl-7-[3-[4-phenyl-6-[4-(24-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(23),19,21-undecaen-20-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]-3-thia-24-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4(9),5,7,11,13,15,18(23),19,21-undecaen-20-yl]phenyl]pyrimidin-4-yl]phenyl]-3-thia-24-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4(9),5,7,11,13,15,18(23),19,21-undecaene has a molecular weight of 2113.63 g/mol, XLogP of 41.25, 17 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 20-[4-(2,6-diphenyl-4-pyridinyl)phenyl]-24-phenyl-7-[3-[6-phenyl-2-[4-[24-phenyl-7-[3-[4-phenyl-6-[4-(24-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(23),19,21-undecaen-20-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]-3-thia-24-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4(9),5,7,11,13,15,18(23),19,21-undecaen-20-yl]phenyl]pyrimidin-4-yl]phenyl]-3-thia-24-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4(9),5,7,11,13,15,18(23),19,21-undecaene is sourced from PubChem (CID 130184112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).