5-(10-phenanthren-2-ylanthracen-9-yl)-15-phenyl-8λ6-thia-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaene 8,8-dioxide;5-(10-phenanthren-3-ylanthracen-9-yl)-15-phenyl-8λ6-thia-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaene 8,8-dioxide;15-phenyl-5-(10-pyridin-3-ylanthracen-9-yl)-8λ6-thia-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaene 8,8-dioxide;15-phenyl-5-(10-quinolin-8-ylanthracen-9-yl)-8λ6-thia-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaene 8,8-dioxide

C174H104N10O8S4 — CID 157200294

About 5-(10-phenanthren-2-ylanthracen-9-yl)-15-phenyl-8λ6-thia-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaene 8,8-dioxide;5-(10-phenanthren-3-ylanthracen-9-yl)-15-phenyl-8λ6-thia-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaene 8,8-dioxide;15-phenyl-5-(10-pyridin-3-ylanthracen-9-yl)-8λ6-thia-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaene 8,8-dioxide;15-phenyl-5-(10-quinolin-8-ylanthracen-9-yl)-8λ6-thia-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaene 8,8-dioxide

5-(10-phenanthren-2-ylanthracen-9-yl)-15-phenyl-8λ6-thia-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaene 8,8-dioxide;5-(10-phenanthren-3-ylanthracen-9-yl)-15-phenyl-8λ6-thia-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaene 8,8-dioxide;15-phenyl-5-(10-pyridin-3-ylanthracen-9-yl)-8λ6-thia-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaene 8,8-dioxide;15-phenyl-5-(10-quinolin-8-ylanthracen-9-yl)-8λ6-thia-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaene 8,8-dioxide (PubChem CID 157200294) has the molecular formula C174H104N10O8S4 and a molecular weight of 2591.08 g/mol. Its IUPAC name is 5-(10-phenanthren-2-ylanthracen-9-yl)-15-phenyl-8λ6-thia-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaene 8,8-dioxide;5-(10-phenanthren-3-ylanthracen-9-yl)-15-phenyl-8λ6-thia-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaene 8,8-dioxide;15-phenyl-5-(10-pyridin-3-ylanthracen-9-yl)-8λ6-thia-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaene 8,8-dioxide;15-phenyl-5-(10-quinolin-8-ylanthracen-9-yl)-8λ6-thia-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaene 8,8-dioxide.

Molecular Properties

• Compound Name: 5-(10-phenanthren-2-ylanthracen-9-yl)-15-phenyl-8λ6-thia-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaene 8,8-dioxide;5-(10-phenanthren-3-ylanthracen-9-yl)-15-phenyl-8λ6-thia-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaene 8,8-dioxide;15-phenyl-5-(10-pyridin-3-ylanthracen-9-yl)-8λ6-thia-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaene 8,8-dioxide;15-phenyl-5-(10-quinolin-8-ylanthracen-9-yl)-8λ6-thia-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaene 8,8-dioxide
• PubChem CID: 157200294
• Molecular Formula: C174H104N10O8S4
• Molecular Weight: 2591.08 g/mol
• Exact Mass: 2588.69
• IUPAC Name: 5-(10-phenanthren-2-ylanthracen-9-yl)-15-phenyl-8λ6-thia-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaene 8,8-dioxide;5-(10-phenanthren-3-ylanthracen-9-yl)-15-phenyl-8λ6-thia-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaene 8,8-dioxide;15-phenyl-5-(10-pyridin-3-ylanthracen-9-yl)-8λ6-thia-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaene 8,8-dioxide;15-phenyl-5-(10-quinolin-8-ylanthracen-9-yl)-8λ6-thia-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaene 8,8-dioxide
• SMILES: O=S1(=O)c2cc(-c3c4ccccc4c(-c4ccc5c(ccc6ccccc65)c4)c4ccccc34)ccc2-n2c(-c3ccccc3)nc3cccc1c32.O=S1(=O)c2cc(-c3c4ccccc4c(-c4ccc5ccc6ccccc6c5c4)c4ccccc34)ccc2-n2c(-c3ccccc3)nc3cccc1c32.O=S1(=O)c2cc(-c3c4ccccc4c(-c4cccc5cccnc45)c4ccccc34)ccc2-n2c(-c3ccccc3)nc3cccc1c32.O=S1(=O)c2cc(-c3c4ccccc4c(-c4cccnc4)c4ccccc34)ccc2-n2c(-c3ccccc3)nc3cccc1c32
• InChI: InChI=1S/2C47H28N2O2S.C42H25N3O2S.C38H23N3O2S/c50-52(51)42-20-10-19-40-46(42)49(47(48-40)30-12-2-1-3-13-30)41-26-24-33(28-43(41)52)45-38-17-8-6-15-36(38)44(37-16-7-9-18-39(37)45)32-23-25-35-31(27-32)22-21-29-11-4-5-14-34(29)35;50-52(51)42-20-10-19-40-46(42)49(47(48-40)31-12-2-1-3-13-31)41-26-25-33(28-43(41)52)45-37-17-8-6-15-35(37)44(36-16-7-9-18-38(36)45)32-24-23-30-22-21-29-11-4-5-14-34(29)39(30)27-32;46-48(47)36-21-9-20-34-41(36)45(42(44-34)27-11-2-1-3-12-27)35-23-22-28(25-37(35)48)38-29-15-4-6-17-31(29)39(32-18-7-5-16-30(32)38)33-19-8-13-26-14-10-24-43-40(26)33;42-44(43)33-18-8-17-31-37(33)41(38(40-31)24-10-2-1-3-11-24)32-20-19-25(22-34(32)44)35-27-13-4-6-15-29(27)36(26-12-9-21-39-23-26)30-16-7-5-14-28(30)35/h2*1-28H;1-25H;1-23H
• InChIKey: AQSJMFMTMCSGDZ-UHFFFAOYSA-N
• XLogP: 42.47
• TPSA: 233.62 Ų
• H-Bond Acceptors: 18
• Rotatable Bonds: 12
• Heavy Atoms: 196
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2591.08
LogP ≤ 5	42.47
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	18

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 5-(10-phenanthren-2-ylanthracen-9-yl)-15-phenyl-8λ6-thia-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaene 8,8-dioxide;5-(10-phenanthren-3-ylanthracen-9-yl)-15-phenyl-8λ6-thia-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaene 8,8-dioxide;15-phenyl-5-(10-pyridin-3-ylanthracen-9-yl)-8λ6-thia-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaene 8,8-dioxide;15-phenyl-5-(10-quinolin-8-ylanthracen-9-yl)-8λ6-thia-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaene 8,8-dioxide?

The IUPAC name of 5-(10-phenanthren-2-ylanthracen-9-yl)-15-phenyl-8λ6-thia-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaene 8,8-dioxide;5-(10-phenanthren-3-ylanthracen-9-yl)-15-phenyl-8λ6-thia-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaene 8,8-dioxide;15-phenyl-5-(10-pyridin-3-ylanthracen-9-yl)-8λ6-thia-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaene 8,8-dioxide;15-phenyl-5-(10-quinolin-8-ylanthracen-9-yl)-8λ6-thia-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaene 8,8-dioxide (CID 157200294) is 5-(10-phenanthren-2-ylanthracen-9-yl)-15-phenyl-8λ6-thia-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaene 8,8-dioxide;5-(10-phenanthren-3-ylanthracen-9-yl)-15-phenyl-8λ6-thia-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaene 8,8-dioxide;15-phenyl-5-(10-pyridin-3-ylanthracen-9-yl)-8λ6-thia-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaene 8,8-dioxide;15-phenyl-5-(10-quinolin-8-ylanthracen-9-yl)-8λ6-thia-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaene 8,8-dioxide.

What is the SMILES notation for 5-(10-phenanthren-2-ylanthracen-9-yl)-15-phenyl-8λ6-thia-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaene 8,8-dioxide;5-(10-phenanthren-3-ylanthracen-9-yl)-15-phenyl-8λ6-thia-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaene 8,8-dioxide;15-phenyl-5-(10-pyridin-3-ylanthracen-9-yl)-8λ6-thia-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaene 8,8-dioxide;15-phenyl-5-(10-quinolin-8-ylanthracen-9-yl)-8λ6-thia-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaene 8,8-dioxide?

The canonical SMILES for 5-(10-phenanthren-2-ylanthracen-9-yl)-15-phenyl-8λ6-thia-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaene 8,8-dioxide;5-(10-phenanthren-3-ylanthracen-9-yl)-15-phenyl-8λ6-thia-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaene 8,8-dioxide;15-phenyl-5-(10-pyridin-3-ylanthracen-9-yl)-8λ6-thia-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaene 8,8-dioxide;15-phenyl-5-(10-quinolin-8-ylanthracen-9-yl)-8λ6-thia-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaene 8,8-dioxide is O=S1(=O)c2cc(-c3c4ccccc4c(-c4ccc5c(ccc6ccccc65)c4)c4ccccc34)ccc2-n2c(-c3ccccc3)nc3cccc1c32.O=S1(=O)c2cc(-c3c4ccccc4c(-c4ccc5ccc6ccccc6c5c4)c4ccccc34)ccc2-n2c(-c3ccccc3)nc3cccc1c32.O=S1(=O)c2cc(-c3c4ccccc4c(-c4cccc5cccnc45)c4ccccc34)ccc2-n2c(-c3ccccc3)nc3cccc1c32.O=S1(=O)c2cc(-c3c4ccccc4c(-c4cccnc4)c4ccccc34)ccc2-n2c(-c3ccccc3)nc3cccc1c32.

What is the InChIKey of 5-(10-phenanthren-2-ylanthracen-9-yl)-15-phenyl-8λ6-thia-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaene 8,8-dioxide;5-(10-phenanthren-3-ylanthracen-9-yl)-15-phenyl-8λ6-thia-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaene 8,8-dioxide;15-phenyl-5-(10-pyridin-3-ylanthracen-9-yl)-8λ6-thia-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaene 8,8-dioxide;15-phenyl-5-(10-quinolin-8-ylanthracen-9-yl)-8λ6-thia-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaene 8,8-dioxide?

The InChIKey is AQSJMFMTMCSGDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C47H28N2O2S.C42H25N3O2S.C38H23N3O2S/c50-52(51)42-20-10-19-40-46(42)49(47(48-40)30-12-2-1-3-13-30)41-26-24-33(28-43(41)52)45-38-17-8-6-15-36(38)44(37-16-7-9-18-39(37)45)32-23-25-35-31(27-32)22-21-29-11-4-5-14-34(29)35;50-52(51)42-20-10-19-40-46(42)49(47(48-40)31-12-2-1-3-13-31)41-26-25-33(28-43(41)52)45-37-17-8-6-15-35(37)44(36-16-7-9-18-38(36)45)32-24-23-30-22-21-29-11-4-5-14-34(29)39(30)27-32;46-48(47)36-21-9-20-34-41(36)45(42(44-34)27-11-2-1-3-12-27)35-23-22-28(25-37(35)48)38-29-15-4-6-17-31(29)39(32-18-7-5-16-30(32)38)33-19-8-13-26-14-10-24-43-40(26)33;42-44(43)33-18-8-17-31-37(33)41(38(40-31)24-10-2-1-3-11-24)32-20-19-25(22-34(32)44)35-27-13-4-6-15-29(27)36(26-12-9-21-39-23-26)30-16-7-5-14-28(30)35/h2*1-28H;1-25H;1-23H.

What are the key properties of 5-(10-phenanthren-2-ylanthracen-9-yl)-15-phenyl-8λ6-thia-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaene 8,8-dioxide;5-(10-phenanthren-3-ylanthracen-9-yl)-15-phenyl-8λ6-thia-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaene 8,8-dioxide;15-phenyl-5-(10-pyridin-3-ylanthracen-9-yl)-8λ6-thia-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaene 8,8-dioxide;15-phenyl-5-(10-quinolin-8-ylanthracen-9-yl)-8λ6-thia-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaene 8,8-dioxide?

5-(10-phenanthren-2-ylanthracen-9-yl)-15-phenyl-8λ6-thia-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaene 8,8-dioxide;5-(10-phenanthren-3-ylanthracen-9-yl)-15-phenyl-8λ6-thia-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaene 8,8-dioxide;15-phenyl-5-(10-pyridin-3-ylanthracen-9-yl)-8λ6-thia-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaene 8,8-dioxide;15-phenyl-5-(10-quinolin-8-ylanthracen-9-yl)-8λ6-thia-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaene 8,8-dioxide has a molecular weight of 2591.08 g/mol, XLogP of 42.47, 12 rotatable bonds, 0 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(10-phenanthren-2-ylanthracen-9-yl)-15-phenyl-8λ6-thia-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaene 8,8-dioxide;5-(10-phenanthren-3-ylanthracen-9-yl)-15-phenyl-8λ6-thia-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaene 8,8-dioxide;15-phenyl-5-(10-pyridin-3-ylanthracen-9-yl)-8λ6-thia-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaene 8,8-dioxide;15-phenyl-5-(10-quinolin-8-ylanthracen-9-yl)-8λ6-thia-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaene 8,8-dioxide is sourced from PubChem (CID 157200294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).