15,19-bis(3-phenylphenyl)-4-thia-15,19-diazaheptacyclo[14.11.0.02,14.03,11.05,10.018,26.020,25]heptacosa-1(16),2(14),3(11),5,7,9,12,17,20,22,24,26-dodecaene;15-phenyl-19-[3-(9-phenylfluoren-9-yl)phenyl]-4-thia-15,19-diazaheptacyclo[14.11.0.02,14.03,11.05,10.018,26.020,25]heptacosa-1(16),2(14),3(11),5,7,9,12,17,20,22,24,26-dodecaene;15-phenyl-19-[4-(9-phenylfluoren-9-yl)phenyl]-4-thia-15,19-diazaheptacyclo[14.11.0.02,14.03,11.05,10.018,26.020,25]heptacosa-1(16),2(14),3(11),5,7,9,12,17,20,22,24,26-dodecaene

C158H98N6S3 — CID 161144131

About 15,19-bis(3-phenylphenyl)-4-thia-15,19-diazaheptacyclo[14.11.0.02,14.03,11.05,10.018,26.020,25]heptacosa-1(16),2(14),3(11),5,7,9,12,17,20,22,24,26-dodecaene;15-phenyl-19-[3-(9-phenylfluoren-9-yl)phenyl]-4-thia-15,19-diazaheptacyclo[14.11.0.02,14.03,11.05,10.018,26.020,25]heptacosa-1(16),2(14),3(11),5,7,9,12,17,20,22,24,26-dodecaene;15-phenyl-19-[4-(9-phenylfluoren-9-yl)phenyl]-4-thia-15,19-diazaheptacyclo[14.11.0.02,14.03,11.05,10.018,26.020,25]heptacosa-1(16),2(14),3(11),5,7,9,12,17,20,22,24,26-dodecaene

15,19-bis(3-phenylphenyl)-4-thia-15,19-diazaheptacyclo[14.11.0.02,14.03,11.05,10.018,26.020,25]heptacosa-1(16),2(14),3(11),5,7,9,12,17,20,22,24,26-dodecaene;15-phenyl-19-[3-(9-phenylfluoren-9-yl)phenyl]-4-thia-15,19-diazaheptacyclo[14.11.0.02,14.03,11.05,10.018,26.020,25]heptacosa-1(16),2(14),3(11),5,7,9,12,17,20,22,24,26-dodecaene;15-phenyl-19-[4-(9-phenylfluoren-9-yl)phenyl]-4-thia-15,19-diazaheptacyclo[14.11.0.02,14.03,11.05,10.018,26.020,25]heptacosa-1(16),2(14),3(11),5,7,9,12,17,20,22,24,26-dodecaene (PubChem CID 161144131) has the molecular formula C158H98N6S3 and a molecular weight of 2176.76 g/mol. Its IUPAC name is 15,19-bis(3-phenylphenyl)-4-thia-15,19-diazaheptacyclo[14.11.0.02,14.03,11.05,10.018,26.020,25]heptacosa-1(16),2(14),3(11),5,7,9,12,17,20,22,24,26-dodecaene;15-phenyl-19-[3-(9-phenylfluoren-9-yl)phenyl]-4-thia-15,19-diazaheptacyclo[14.11.0.02,14.03,11.05,10.018,26.020,25]heptacosa-1(16),2(14),3(11),5,7,9,12,17,20,22,24,26-dodecaene;15-phenyl-19-[4-(9-phenylfluoren-9-yl)phenyl]-4-thia-15,19-diazaheptacyclo[14.11.0.02,14.03,11.05,10.018,26.020,25]heptacosa-1(16),2(14),3(11),5,7,9,12,17,20,22,24,26-dodecaene.

Molecular Properties

• Compound Name: 15,19-bis(3-phenylphenyl)-4-thia-15,19-diazaheptacyclo[14.11.0.02,14.03,11.05,10.018,26.020,25]heptacosa-1(16),2(14),3(11),5,7,9,12,17,20,22,24,26-dodecaene;15-phenyl-19-[3-(9-phenylfluoren-9-yl)phenyl]-4-thia-15,19-diazaheptacyclo[14.11.0.02,14.03,11.05,10.018,26.020,25]heptacosa-1(16),2(14),3(11),5,7,9,12,17,20,22,24,26-dodecaene;15-phenyl-19-[4-(9-phenylfluoren-9-yl)phenyl]-4-thia-15,19-diazaheptacyclo[14.11.0.02,14.03,11.05,10.018,26.020,25]heptacosa-1(16),2(14),3(11),5,7,9,12,17,20,22,24,26-dodecaene
• PubChem CID: 161144131
• Molecular Formula: C158H98N6S3
• Molecular Weight: 2176.76 g/mol
• Exact Mass: 2174.70
• IUPAC Name: 15,19-bis(3-phenylphenyl)-4-thia-15,19-diazaheptacyclo[14.11.0.02,14.03,11.05,10.018,26.020,25]heptacosa-1(16),2(14),3(11),5,7,9,12,17,20,22,24,26-dodecaene;15-phenyl-19-[3-(9-phenylfluoren-9-yl)phenyl]-4-thia-15,19-diazaheptacyclo[14.11.0.02,14.03,11.05,10.018,26.020,25]heptacosa-1(16),2(14),3(11),5,7,9,12,17,20,22,24,26-dodecaene;15-phenyl-19-[4-(9-phenylfluoren-9-yl)phenyl]-4-thia-15,19-diazaheptacyclo[14.11.0.02,14.03,11.05,10.018,26.020,25]heptacosa-1(16),2(14),3(11),5,7,9,12,17,20,22,24,26-dodecaene
• SMILES: c1ccc(-c2cccc(-n3c4ccccc4c4cc5c6c7sc8ccccc8c7ccc6n(-c6cccc(-c7ccccc7)c6)c5cc43)c2)cc1.c1ccc(-n2c3cc4c(cc3c3c5sc6ccccc6c5ccc32)c2ccccc2n4-c2ccc(C3(c4ccccc4)c4ccccc4-c4ccccc43)cc2)cc1.c1ccc(-n2c3cc4c(cc3c3c5sc6ccccc6c5ccc32)c2ccccc2n4-c2cccc(C3(c4ccccc4)c4ccccc4-c4ccccc43)c2)cc1
• InChI: InChI=1S/2C55H34N2S.C48H30N2S/c1-3-16-35(17-4-1)55(46-26-11-7-22-39(46)40-23-8-12-27-47(40)55)36-18-15-21-38(32-36)57-48-28-13-9-24-41(48)44-33-45-51(34-50(44)57)56(37-19-5-2-6-20-37)49-31-30-43-42-25-10-14-29-52(42)58-54(43)53(45)49;1-3-15-35(16-4-1)55(46-23-11-7-19-39(46)40-20-8-12-24-47(40)55)36-27-29-38(30-28-36)56-48-25-13-9-21-41(48)44-33-45-51(34-50(44)56)57(37-17-5-2-6-18-37)49-32-31-43-42-22-10-14-26-52(42)58-54(43)53(45)49;1-3-13-31(14-4-1)33-17-11-19-35(27-33)49-42-23-9-7-21-37(42)40-29-41-45(30-44(40)49)50(36-20-12-18-34(28-36)32-15-5-2-6-16-32)43-26-25-39-38-22-8-10-24-46(38)51-48(39)47(41)43/h2*1-34H;1-30H
• InChIKey: UNVDZSYZMIMJDA-UHFFFAOYSA-N
• XLogP: 42.81
• TPSA: 29.58 Ų
• H-Bond Acceptors: 9
• Rotatable Bonds: 12
• Heavy Atoms: 167
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	2176.76
LogP ≤ 5	42.81
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 15,19-bis(3-phenylphenyl)-4-thia-15,19-diazaheptacyclo[14.11.0.02,14.03,11.05,10.018,26.020,25]heptacosa-1(16),2(14),3(11),5,7,9,12,17,20,22,24,26-dodecaene;15-phenyl-19-[3-(9-phenylfluoren-9-yl)phenyl]-4-thia-15,19-diazaheptacyclo[14.11.0.02,14.03,11.05,10.018,26.020,25]heptacosa-1(16),2(14),3(11),5,7,9,12,17,20,22,24,26-dodecaene;15-phenyl-19-[4-(9-phenylfluoren-9-yl)phenyl]-4-thia-15,19-diazaheptacyclo[14.11.0.02,14.03,11.05,10.018,26.020,25]heptacosa-1(16),2(14),3(11),5,7,9,12,17,20,22,24,26-dodecaene?

The IUPAC name of 15,19-bis(3-phenylphenyl)-4-thia-15,19-diazaheptacyclo[14.11.0.02,14.03,11.05,10.018,26.020,25]heptacosa-1(16),2(14),3(11),5,7,9,12,17,20,22,24,26-dodecaene;15-phenyl-19-[3-(9-phenylfluoren-9-yl)phenyl]-4-thia-15,19-diazaheptacyclo[14.11.0.02,14.03,11.05,10.018,26.020,25]heptacosa-1(16),2(14),3(11),5,7,9,12,17,20,22,24,26-dodecaene;15-phenyl-19-[4-(9-phenylfluoren-9-yl)phenyl]-4-thia-15,19-diazaheptacyclo[14.11.0.02,14.03,11.05,10.018,26.020,25]heptacosa-1(16),2(14),3(11),5,7,9,12,17,20,22,24,26-dodecaene (CID 161144131) is 15,19-bis(3-phenylphenyl)-4-thia-15,19-diazaheptacyclo[14.11.0.02,14.03,11.05,10.018,26.020,25]heptacosa-1(16),2(14),3(11),5,7,9,12,17,20,22,24,26-dodecaene;15-phenyl-19-[3-(9-phenylfluoren-9-yl)phenyl]-4-thia-15,19-diazaheptacyclo[14.11.0.02,14.03,11.05,10.018,26.020,25]heptacosa-1(16),2(14),3(11),5,7,9,12,17,20,22,24,26-dodecaene;15-phenyl-19-[4-(9-phenylfluoren-9-yl)phenyl]-4-thia-15,19-diazaheptacyclo[14.11.0.02,14.03,11.05,10.018,26.020,25]heptacosa-1(16),2(14),3(11),5,7,9,12,17,20,22,24,26-dodecaene.

What is the SMILES notation for 15,19-bis(3-phenylphenyl)-4-thia-15,19-diazaheptacyclo[14.11.0.02,14.03,11.05,10.018,26.020,25]heptacosa-1(16),2(14),3(11),5,7,9,12,17,20,22,24,26-dodecaene;15-phenyl-19-[3-(9-phenylfluoren-9-yl)phenyl]-4-thia-15,19-diazaheptacyclo[14.11.0.02,14.03,11.05,10.018,26.020,25]heptacosa-1(16),2(14),3(11),5,7,9,12,17,20,22,24,26-dodecaene;15-phenyl-19-[4-(9-phenylfluoren-9-yl)phenyl]-4-thia-15,19-diazaheptacyclo[14.11.0.02,14.03,11.05,10.018,26.020,25]heptacosa-1(16),2(14),3(11),5,7,9,12,17,20,22,24,26-dodecaene?

The canonical SMILES for 15,19-bis(3-phenylphenyl)-4-thia-15,19-diazaheptacyclo[14.11.0.02,14.03,11.05,10.018,26.020,25]heptacosa-1(16),2(14),3(11),5,7,9,12,17,20,22,24,26-dodecaene;15-phenyl-19-[3-(9-phenylfluoren-9-yl)phenyl]-4-thia-15,19-diazaheptacyclo[14.11.0.02,14.03,11.05,10.018,26.020,25]heptacosa-1(16),2(14),3(11),5,7,9,12,17,20,22,24,26-dodecaene;15-phenyl-19-[4-(9-phenylfluoren-9-yl)phenyl]-4-thia-15,19-diazaheptacyclo[14.11.0.02,14.03,11.05,10.018,26.020,25]heptacosa-1(16),2(14),3(11),5,7,9,12,17,20,22,24,26-dodecaene is c1ccc(-c2cccc(-n3c4ccccc4c4cc5c6c7sc8ccccc8c7ccc6n(-c6cccc(-c7ccccc7)c6)c5cc43)c2)cc1.c1ccc(-n2c3cc4c(cc3c3c5sc6ccccc6c5ccc32)c2ccccc2n4-c2ccc(C3(c4ccccc4)c4ccccc4-c4ccccc43)cc2)cc1.c1ccc(-n2c3cc4c(cc3c3c5sc6ccccc6c5ccc32)c2ccccc2n4-c2cccc(C3(c4ccccc4)c4ccccc4-c4ccccc43)c2)cc1.

What is the InChIKey of 15,19-bis(3-phenylphenyl)-4-thia-15,19-diazaheptacyclo[14.11.0.02,14.03,11.05,10.018,26.020,25]heptacosa-1(16),2(14),3(11),5,7,9,12,17,20,22,24,26-dodecaene;15-phenyl-19-[3-(9-phenylfluoren-9-yl)phenyl]-4-thia-15,19-diazaheptacyclo[14.11.0.02,14.03,11.05,10.018,26.020,25]heptacosa-1(16),2(14),3(11),5,7,9,12,17,20,22,24,26-dodecaene;15-phenyl-19-[4-(9-phenylfluoren-9-yl)phenyl]-4-thia-15,19-diazaheptacyclo[14.11.0.02,14.03,11.05,10.018,26.020,25]heptacosa-1(16),2(14),3(11),5,7,9,12,17,20,22,24,26-dodecaene?

The InChIKey is UNVDZSYZMIMJDA-UHFFFAOYSA-N. The full InChI is InChI=1S/2C55H34N2S.C48H30N2S/c1-3-16-35(17-4-1)55(46-26-11-7-22-39(46)40-23-8-12-27-47(40)55)36-18-15-21-38(32-36)57-48-28-13-9-24-41(48)44-33-45-51(34-50(44)57)56(37-19-5-2-6-20-37)49-31-30-43-42-25-10-14-29-52(42)58-54(43)53(45)49;1-3-15-35(16-4-1)55(46-23-11-7-19-39(46)40-20-8-12-24-47(40)55)36-27-29-38(30-28-36)56-48-25-13-9-21-41(48)44-33-45-51(34-50(44)56)57(37-17-5-2-6-18-37)49-32-31-43-42-22-10-14-26-52(42)58-54(43)53(45)49;1-3-13-31(14-4-1)33-17-11-19-35(27-33)49-42-23-9-7-21-37(42)40-29-41-45(30-44(40)49)50(36-20-12-18-34(28-36)32-15-5-2-6-16-32)43-26-25-39-38-22-8-10-24-46(38)51-48(39)47(41)43/h2*1-34H;1-30H.

What are the key properties of 15,19-bis(3-phenylphenyl)-4-thia-15,19-diazaheptacyclo[14.11.0.02,14.03,11.05,10.018,26.020,25]heptacosa-1(16),2(14),3(11),5,7,9,12,17,20,22,24,26-dodecaene;15-phenyl-19-[3-(9-phenylfluoren-9-yl)phenyl]-4-thia-15,19-diazaheptacyclo[14.11.0.02,14.03,11.05,10.018,26.020,25]heptacosa-1(16),2(14),3(11),5,7,9,12,17,20,22,24,26-dodecaene;15-phenyl-19-[4-(9-phenylfluoren-9-yl)phenyl]-4-thia-15,19-diazaheptacyclo[14.11.0.02,14.03,11.05,10.018,26.020,25]heptacosa-1(16),2(14),3(11),5,7,9,12,17,20,22,24,26-dodecaene?

15,19-bis(3-phenylphenyl)-4-thia-15,19-diazaheptacyclo[14.11.0.02,14.03,11.05,10.018,26.020,25]heptacosa-1(16),2(14),3(11),5,7,9,12,17,20,22,24,26-dodecaene;15-phenyl-19-[3-(9-phenylfluoren-9-yl)phenyl]-4-thia-15,19-diazaheptacyclo[14.11.0.02,14.03,11.05,10.018,26.020,25]heptacosa-1(16),2(14),3(11),5,7,9,12,17,20,22,24,26-dodecaene;15-phenyl-19-[4-(9-phenylfluoren-9-yl)phenyl]-4-thia-15,19-diazaheptacyclo[14.11.0.02,14.03,11.05,10.018,26.020,25]heptacosa-1(16),2(14),3(11),5,7,9,12,17,20,22,24,26-dodecaene has a molecular weight of 2176.76 g/mol, XLogP of 42.81, 12 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 15,19-bis(3-phenylphenyl)-4-thia-15,19-diazaheptacyclo[14.11.0.02,14.03,11.05,10.018,26.020,25]heptacosa-1(16),2(14),3(11),5,7,9,12,17,20,22,24,26-dodecaene;15-phenyl-19-[3-(9-phenylfluoren-9-yl)phenyl]-4-thia-15,19-diazaheptacyclo[14.11.0.02,14.03,11.05,10.018,26.020,25]heptacosa-1(16),2(14),3(11),5,7,9,12,17,20,22,24,26-dodecaene;15-phenyl-19-[4-(9-phenylfluoren-9-yl)phenyl]-4-thia-15,19-diazaheptacyclo[14.11.0.02,14.03,11.05,10.018,26.020,25]heptacosa-1(16),2(14),3(11),5,7,9,12,17,20,22,24,26-dodecaene is sourced from PubChem (CID 161144131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).