12-[4-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-18-(4-phenylphenyl)-15-thia-12,18-diazaheptacyclo[14.11.0.02,14.05,13.06,11.017,25.019,24]heptacosa-1(16),2(14),3,5(13),6,8,10,17(25),19,21,23,26-dodecaene;12-[4-[4,6-bis(2-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-18-phenyl-15-thia-12,18-diazaheptacyclo[14.11.0.02,14.05,13.06,11.017,25.019,24]heptacosa-1(16),2(14),3,5(13),6,8,10,17(25),19,21,23,26-dodecaene;12-phenyl-18-[4-[4-(2-phenylphenyl)-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-15-thia-12,18-diazaheptacyclo[14.11.0.02,14.05,13.06,11.017,25.019,24]heptacosa-1(16),2(14),3,5(13),6,8,10,17(25),19,21,23,26-dodecaene

C195H121N15S3 — CID 163956308

About 12-[4-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-18-(4-phenylphenyl)-15-thia-12,18-diazaheptacyclo[14.11.0.02,14.05,13.06,11.017,25.019,24]heptacosa-1(16),2(14),3,5(13),6,8,10,17(25),19,21,23,26-dodecaene;12-[4-[4,6-bis(2-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-18-phenyl-15-thia-12,18-diazaheptacyclo[14.11.0.02,14.05,13.06,11.017,25.019,24]heptacosa-1(16),2(14),3,5(13),6,8,10,17(25),19,21,23,26-dodecaene;12-phenyl-18-[4-[4-(2-phenylphenyl)-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-15-thia-12,18-diazaheptacyclo[14.11.0.02,14.05,13.06,11.017,25.019,24]heptacosa-1(16),2(14),3,5(13),6,8,10,17(25),19,21,23,26-dodecaene

12-[4-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-18-(4-phenylphenyl)-15-thia-12,18-diazaheptacyclo[14.11.0.02,14.05,13.06,11.017,25.019,24]heptacosa-1(16),2(14),3,5(13),6,8,10,17(25),19,21,23,26-dodecaene;12-[4-[4,6-bis(2-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-18-phenyl-15-thia-12,18-diazaheptacyclo[14.11.0.02,14.05,13.06,11.017,25.019,24]heptacosa-1(16),2(14),3,5(13),6,8,10,17(25),19,21,23,26-dodecaene;12-phenyl-18-[4-[4-(2-phenylphenyl)-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-15-thia-12,18-diazaheptacyclo[14.11.0.02,14.05,13.06,11.017,25.019,24]heptacosa-1(16),2(14),3,5(13),6,8,10,17(25),19,21,23,26-dodecaene (PubChem CID 163956308) has the molecular formula C195H121N15S3 and a molecular weight of 2770.42 g/mol. Its IUPAC name is 12-[4-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-18-(4-phenylphenyl)-15-thia-12,18-diazaheptacyclo[14.11.0.02,14.05,13.06,11.017,25.019,24]heptacosa-1(16),2(14),3,5(13),6,8,10,17(25),19,21,23,26-dodecaene;12-[4-[4,6-bis(2-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-18-phenyl-15-thia-12,18-diazaheptacyclo[14.11.0.02,14.05,13.06,11.017,25.019,24]heptacosa-1(16),2(14),3,5(13),6,8,10,17(25),19,21,23,26-dodecaene;12-phenyl-18-[4-[4-(2-phenylphenyl)-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-15-thia-12,18-diazaheptacyclo[14.11.0.02,14.05,13.06,11.017,25.019,24]heptacosa-1(16),2(14),3,5(13),6,8,10,17(25),19,21,23,26-dodecaene.

Molecular Properties

• Compound Name: 12-[4-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-18-(4-phenylphenyl)-15-thia-12,18-diazaheptacyclo[14.11.0.02,14.05,13.06,11.017,25.019,24]heptacosa-1(16),2(14),3,5(13),6,8,10,17(25),19,21,23,26-dodecaene;12-[4-[4,6-bis(2-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-18-phenyl-15-thia-12,18-diazaheptacyclo[14.11.0.02,14.05,13.06,11.017,25.019,24]heptacosa-1(16),2(14),3,5(13),6,8,10,17(25),19,21,23,26-dodecaene;12-phenyl-18-[4-[4-(2-phenylphenyl)-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-15-thia-12,18-diazaheptacyclo[14.11.0.02,14.05,13.06,11.017,25.019,24]heptacosa-1(16),2(14),3,5(13),6,8,10,17(25),19,21,23,26-dodecaene
• PubChem CID: 163956308
• Molecular Formula: C195H121N15S3
• Molecular Weight: 2770.42 g/mol
• Exact Mass: 2767.91
• IUPAC Name: 12-[4-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-18-(4-phenylphenyl)-15-thia-12,18-diazaheptacyclo[14.11.0.02,14.05,13.06,11.017,25.019,24]heptacosa-1(16),2(14),3,5(13),6,8,10,17(25),19,21,23,26-dodecaene;12-[4-[4,6-bis(2-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-18-phenyl-15-thia-12,18-diazaheptacyclo[14.11.0.02,14.05,13.06,11.017,25.019,24]heptacosa-1(16),2(14),3,5(13),6,8,10,17(25),19,21,23,26-dodecaene;12-phenyl-18-[4-[4-(2-phenylphenyl)-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-15-thia-12,18-diazaheptacyclo[14.11.0.02,14.05,13.06,11.017,25.019,24]heptacosa-1(16),2(14),3,5(13),6,8,10,17(25),19,21,23,26-dodecaene
• SMILES: c1ccc(-c2ccc(-c3nc(-c4ccc(-c5ccccc5)cc4)nc(-c4ccc(-n5c6ccccc6c6ccc7c8ccc9c%10ccccc%10n(-c%10ccc(-c%11ccccc%11)cc%10)c9c8sc7c65)cc4)n3)cc2)cc1.c1ccc(-c2cccc(-c3nc(-c4ccc(-n5c6ccccc6c6ccc7c8ccc9c%10ccccc%10n(-c%10ccccc%10)c9c8sc7c65)cc4)nc(-c4ccccc4-c4ccccc4)n3)c2)cc1.c1ccc(-c2ccccc2-c2nc(-c3ccc(-n4c5ccccc5c5ccc6c7ccc8c9ccccc9n(-c9ccccc9)c8c7sc6c54)cc3)nc(-c3ccccc3-c3ccccc3)n2)cc1
• InChI: InChI=1S/C69H43N5S.2C63H39N5S/c1-4-14-44(15-5-1)47-24-28-50(29-25-47)67-70-68(51-30-26-48(27-31-51)45-16-6-2-7-17-45)72-69(71-67)52-34-38-54(39-35-52)74-62-23-13-11-21-56(62)58-41-43-60-59-42-40-57-55-20-10-12-22-61(55)73(63(57)65(59)75-66(60)64(58)74)53-36-32-49(33-37-53)46-18-8-3-9-19-46;1-4-18-40(19-5-1)45-24-10-12-28-53(45)62-64-61(65-63(66-62)54-29-13-11-25-46(54)41-20-6-2-7-21-41)42-32-34-44(35-33-42)68-56-31-17-15-27-48(56)50-37-39-52-51-38-36-49-47-26-14-16-30-55(47)67(43-22-8-3-9-23-43)57(49)59(51)69-60(52)58(50)68;1-4-17-40(18-5-1)43-21-16-22-44(39-43)62-64-61(65-63(66-62)54-28-11-10-25-47(54)41-19-6-2-7-20-41)42-31-33-46(34-32-42)68-56-30-15-13-27-49(56)51-36-38-53-52-37-35-50-48-26-12-14-29-55(48)67(45-23-8-3-9-24-45)57(50)59(52)69-60(53)58(51)68/h1-43H;2*1-39H
• InChIKey: SDRDMORWAVTWRR-UHFFFAOYSA-N
• XLogP: 51.97
• TPSA: 145.59 Ų
• H-Bond Acceptors: 18
• Rotatable Bonds: 22
• Heavy Atoms: 213
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2770.42
LogP ≤ 5	51.97
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	18

Frequently Asked Questions

What is the IUPAC name of 12-[4-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-18-(4-phenylphenyl)-15-thia-12,18-diazaheptacyclo[14.11.0.02,14.05,13.06,11.017,25.019,24]heptacosa-1(16),2(14),3,5(13),6,8,10,17(25),19,21,23,26-dodecaene;12-[4-[4,6-bis(2-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-18-phenyl-15-thia-12,18-diazaheptacyclo[14.11.0.02,14.05,13.06,11.017,25.019,24]heptacosa-1(16),2(14),3,5(13),6,8,10,17(25),19,21,23,26-dodecaene;12-phenyl-18-[4-[4-(2-phenylphenyl)-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-15-thia-12,18-diazaheptacyclo[14.11.0.02,14.05,13.06,11.017,25.019,24]heptacosa-1(16),2(14),3,5(13),6,8,10,17(25),19,21,23,26-dodecaene?

The IUPAC name of 12-[4-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-18-(4-phenylphenyl)-15-thia-12,18-diazaheptacyclo[14.11.0.02,14.05,13.06,11.017,25.019,24]heptacosa-1(16),2(14),3,5(13),6,8,10,17(25),19,21,23,26-dodecaene;12-[4-[4,6-bis(2-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-18-phenyl-15-thia-12,18-diazaheptacyclo[14.11.0.02,14.05,13.06,11.017,25.019,24]heptacosa-1(16),2(14),3,5(13),6,8,10,17(25),19,21,23,26-dodecaene;12-phenyl-18-[4-[4-(2-phenylphenyl)-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-15-thia-12,18-diazaheptacyclo[14.11.0.02,14.05,13.06,11.017,25.019,24]heptacosa-1(16),2(14),3,5(13),6,8,10,17(25),19,21,23,26-dodecaene (CID 163956308) is 12-[4-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-18-(4-phenylphenyl)-15-thia-12,18-diazaheptacyclo[14.11.0.02,14.05,13.06,11.017,25.019,24]heptacosa-1(16),2(14),3,5(13),6,8,10,17(25),19,21,23,26-dodecaene;12-[4-[4,6-bis(2-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-18-phenyl-15-thia-12,18-diazaheptacyclo[14.11.0.02,14.05,13.06,11.017,25.019,24]heptacosa-1(16),2(14),3,5(13),6,8,10,17(25),19,21,23,26-dodecaene;12-phenyl-18-[4-[4-(2-phenylphenyl)-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-15-thia-12,18-diazaheptacyclo[14.11.0.02,14.05,13.06,11.017,25.019,24]heptacosa-1(16),2(14),3,5(13),6,8,10,17(25),19,21,23,26-dodecaene.

What is the SMILES notation for 12-[4-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-18-(4-phenylphenyl)-15-thia-12,18-diazaheptacyclo[14.11.0.02,14.05,13.06,11.017,25.019,24]heptacosa-1(16),2(14),3,5(13),6,8,10,17(25),19,21,23,26-dodecaene;12-[4-[4,6-bis(2-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-18-phenyl-15-thia-12,18-diazaheptacyclo[14.11.0.02,14.05,13.06,11.017,25.019,24]heptacosa-1(16),2(14),3,5(13),6,8,10,17(25),19,21,23,26-dodecaene;12-phenyl-18-[4-[4-(2-phenylphenyl)-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-15-thia-12,18-diazaheptacyclo[14.11.0.02,14.05,13.06,11.017,25.019,24]heptacosa-1(16),2(14),3,5(13),6,8,10,17(25),19,21,23,26-dodecaene?

The canonical SMILES for 12-[4-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-18-(4-phenylphenyl)-15-thia-12,18-diazaheptacyclo[14.11.0.02,14.05,13.06,11.017,25.019,24]heptacosa-1(16),2(14),3,5(13),6,8,10,17(25),19,21,23,26-dodecaene;12-[4-[4,6-bis(2-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-18-phenyl-15-thia-12,18-diazaheptacyclo[14.11.0.02,14.05,13.06,11.017,25.019,24]heptacosa-1(16),2(14),3,5(13),6,8,10,17(25),19,21,23,26-dodecaene;12-phenyl-18-[4-[4-(2-phenylphenyl)-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-15-thia-12,18-diazaheptacyclo[14.11.0.02,14.05,13.06,11.017,25.019,24]heptacosa-1(16),2(14),3,5(13),6,8,10,17(25),19,21,23,26-dodecaene is c1ccc(-c2ccc(-c3nc(-c4ccc(-c5ccccc5)cc4)nc(-c4ccc(-n5c6ccccc6c6ccc7c8ccc9c%10ccccc%10n(-c%10ccc(-c%11ccccc%11)cc%10)c9c8sc7c65)cc4)n3)cc2)cc1.c1ccc(-c2cccc(-c3nc(-c4ccc(-n5c6ccccc6c6ccc7c8ccc9c%10ccccc%10n(-c%10ccccc%10)c9c8sc7c65)cc4)nc(-c4ccccc4-c4ccccc4)n3)c2)cc1.c1ccc(-c2ccccc2-c2nc(-c3ccc(-n4c5ccccc5c5ccc6c7ccc8c9ccccc9n(-c9ccccc9)c8c7sc6c54)cc3)nc(-c3ccccc3-c3ccccc3)n2)cc1.

What is the InChIKey of 12-[4-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-18-(4-phenylphenyl)-15-thia-12,18-diazaheptacyclo[14.11.0.02,14.05,13.06,11.017,25.019,24]heptacosa-1(16),2(14),3,5(13),6,8,10,17(25),19,21,23,26-dodecaene;12-[4-[4,6-bis(2-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-18-phenyl-15-thia-12,18-diazaheptacyclo[14.11.0.02,14.05,13.06,11.017,25.019,24]heptacosa-1(16),2(14),3,5(13),6,8,10,17(25),19,21,23,26-dodecaene;12-phenyl-18-[4-[4-(2-phenylphenyl)-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-15-thia-12,18-diazaheptacyclo[14.11.0.02,14.05,13.06,11.017,25.019,24]heptacosa-1(16),2(14),3,5(13),6,8,10,17(25),19,21,23,26-dodecaene?

The InChIKey is SDRDMORWAVTWRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C69H43N5S.2C63H39N5S/c1-4-14-44(15-5-1)47-24-28-50(29-25-47)67-70-68(51-30-26-48(27-31-51)45-16-6-2-7-17-45)72-69(71-67)52-34-38-54(39-35-52)74-62-23-13-11-21-56(62)58-41-43-60-59-42-40-57-55-20-10-12-22-61(55)73(63(57)65(59)75-66(60)64(58)74)53-36-32-49(33-37-53)46-18-8-3-9-19-46;1-4-18-40(19-5-1)45-24-10-12-28-53(45)62-64-61(65-63(66-62)54-29-13-11-25-46(54)41-20-6-2-7-21-41)42-32-34-44(35-33-42)68-56-31-17-15-27-48(56)50-37-39-52-51-38-36-49-47-26-14-16-30-55(47)67(43-22-8-3-9-23-43)57(49)59(51)69-60(52)58(50)68;1-4-17-40(18-5-1)43-21-16-22-44(39-43)62-64-61(65-63(66-62)54-28-11-10-25-47(54)41-19-6-2-7-20-41)42-31-33-46(34-32-42)68-56-30-15-13-27-49(56)51-36-38-53-52-37-35-50-48-26-12-14-29-55(48)67(45-23-8-3-9-24-45)57(50)59(52)69-60(53)58(51)68/h1-43H;2*1-39H.

What are the key properties of 12-[4-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-18-(4-phenylphenyl)-15-thia-12,18-diazaheptacyclo[14.11.0.02,14.05,13.06,11.017,25.019,24]heptacosa-1(16),2(14),3,5(13),6,8,10,17(25),19,21,23,26-dodecaene;12-[4-[4,6-bis(2-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-18-phenyl-15-thia-12,18-diazaheptacyclo[14.11.0.02,14.05,13.06,11.017,25.019,24]heptacosa-1(16),2(14),3,5(13),6,8,10,17(25),19,21,23,26-dodecaene;12-phenyl-18-[4-[4-(2-phenylphenyl)-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-15-thia-12,18-diazaheptacyclo[14.11.0.02,14.05,13.06,11.017,25.019,24]heptacosa-1(16),2(14),3,5(13),6,8,10,17(25),19,21,23,26-dodecaene?

12-[4-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-18-(4-phenylphenyl)-15-thia-12,18-diazaheptacyclo[14.11.0.02,14.05,13.06,11.017,25.019,24]heptacosa-1(16),2(14),3,5(13),6,8,10,17(25),19,21,23,26-dodecaene;12-[4-[4,6-bis(2-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-18-phenyl-15-thia-12,18-diazaheptacyclo[14.11.0.02,14.05,13.06,11.017,25.019,24]heptacosa-1(16),2(14),3,5(13),6,8,10,17(25),19,21,23,26-dodecaene;12-phenyl-18-[4-[4-(2-phenylphenyl)-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-15-thia-12,18-diazaheptacyclo[14.11.0.02,14.05,13.06,11.017,25.019,24]heptacosa-1(16),2(14),3,5(13),6,8,10,17(25),19,21,23,26-dodecaene has a molecular weight of 2770.42 g/mol, XLogP of 51.97, 22 rotatable bonds, 0 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for 12-[4-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-18-(4-phenylphenyl)-15-thia-12,18-diazaheptacyclo[14.11.0.02,14.05,13.06,11.017,25.019,24]heptacosa-1(16),2(14),3,5(13),6,8,10,17(25),19,21,23,26-dodecaene;12-[4-[4,6-bis(2-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-18-phenyl-15-thia-12,18-diazaheptacyclo[14.11.0.02,14.05,13.06,11.017,25.019,24]heptacosa-1(16),2(14),3,5(13),6,8,10,17(25),19,21,23,26-dodecaene;12-phenyl-18-[4-[4-(2-phenylphenyl)-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-15-thia-12,18-diazaheptacyclo[14.11.0.02,14.05,13.06,11.017,25.019,24]heptacosa-1(16),2(14),3,5(13),6,8,10,17(25),19,21,23,26-dodecaene is sourced from PubChem (CID 163956308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).