2-[4-[1,1,1,3,3,3-hexafluoro-2-[4-(9-methyl-1,10-phenanthrolin-2-yl)phenyl]propan-2-yl]phenyl]-9-methyl-1,10-phenanthroline;2-[4-[1,1,1,3,3,3-hexafluoro-2-[4-(1,10-phenanthrolin-2-yl)phenyl]propan-2-yl]phenyl]-1,10-phenanthroline;2-methyl-9-[3-[4-(9-methyl-1,10-phenanthrolin-2-yl)phenyl]sulfanylphenyl]-1,10-phenanthroline;2-naphthalen-1-yl-9-[3-[4-(9-naphthalen-1-yl-1,10-phenanthrolin-2-yl)phenyl]sulfanylphenyl]-1,10-phenanthroline;2-phenyl-9-[3-[4-(9-phenyl-1,10-phenanthrolin-2-yl)phenyl]sulfanylphenyl]-1,10-phenanthroline

C222H138F12N20S3 — CID 159246550

About 2-[4-[1,1,1,3,3,3-hexafluoro-2-[4-(9-methyl-1,10-phenanthrolin-2-yl)phenyl]propan-2-yl]phenyl]-9-methyl-1,10-phenanthroline;2-[4-[1,1,1,3,3,3-hexafluoro-2-[4-(1,10-phenanthrolin-2-yl)phenyl]propan-2-yl]phenyl]-1,10-phenanthroline;2-methyl-9-[3-[4-(9-methyl-1,10-phenanthrolin-2-yl)phenyl]sulfanylphenyl]-1,10-phenanthroline;2-naphthalen-1-yl-9-[3-[4-(9-naphthalen-1-yl-1,10-phenanthrolin-2-yl)phenyl]sulfanylphenyl]-1,10-phenanthroline;2-phenyl-9-[3-[4-(9-phenyl-1,10-phenanthrolin-2-yl)phenyl]sulfanylphenyl]-1,10-phenanthroline

2-[4-[1,1,1,3,3,3-hexafluoro-2-[4-(9-methyl-1,10-phenanthrolin-2-yl)phenyl]propan-2-yl]phenyl]-9-methyl-1,10-phenanthroline;2-[4-[1,1,1,3,3,3-hexafluoro-2-[4-(1,10-phenanthrolin-2-yl)phenyl]propan-2-yl]phenyl]-1,10-phenanthroline;2-methyl-9-[3-[4-(9-methyl-1,10-phenanthrolin-2-yl)phenyl]sulfanylphenyl]-1,10-phenanthroline;2-naphthalen-1-yl-9-[3-[4-(9-naphthalen-1-yl-1,10-phenanthrolin-2-yl)phenyl]sulfanylphenyl]-1,10-phenanthroline;2-phenyl-9-[3-[4-(9-phenyl-1,10-phenanthrolin-2-yl)phenyl]sulfanylphenyl]-1,10-phenanthroline (PubChem CID 159246550) has the molecular formula C222H138F12N20S3 and a molecular weight of 3409.86 g/mol. Its IUPAC name is 2-[4-[1,1,1,3,3,3-hexafluoro-2-[4-(9-methyl-1,10-phenanthrolin-2-yl)phenyl]propan-2-yl]phenyl]-9-methyl-1,10-phenanthroline;2-[4-[1,1,1,3,3,3-hexafluoro-2-[4-(1,10-phenanthrolin-2-yl)phenyl]propan-2-yl]phenyl]-1,10-phenanthroline;2-methyl-9-[3-[4-(9-methyl-1,10-phenanthrolin-2-yl)phenyl]sulfanylphenyl]-1,10-phenanthroline;2-naphthalen-1-yl-9-[3-[4-(9-naphthalen-1-yl-1,10-phenanthrolin-2-yl)phenyl]sulfanylphenyl]-1,10-phenanthroline;2-phenyl-9-[3-[4-(9-phenyl-1,10-phenanthrolin-2-yl)phenyl]sulfanylphenyl]-1,10-phenanthroline.

Molecular Properties

• Compound Name: 2-[4-[1,1,1,3,3,3-hexafluoro-2-[4-(9-methyl-1,10-phenanthrolin-2-yl)phenyl]propan-2-yl]phenyl]-9-methyl-1,10-phenanthroline;2-[4-[1,1,1,3,3,3-hexafluoro-2-[4-(1,10-phenanthrolin-2-yl)phenyl]propan-2-yl]phenyl]-1,10-phenanthroline;2-methyl-9-[3-[4-(9-methyl-1,10-phenanthrolin-2-yl)phenyl]sulfanylphenyl]-1,10-phenanthroline;2-naphthalen-1-yl-9-[3-[4-(9-naphthalen-1-yl-1,10-phenanthrolin-2-yl)phenyl]sulfanylphenyl]-1,10-phenanthroline;2-phenyl-9-[3-[4-(9-phenyl-1,10-phenanthrolin-2-yl)phenyl]sulfanylphenyl]-1,10-phenanthroline
• PubChem CID: 159246550
• Molecular Formula: C222H138F12N20S3
• Molecular Weight: 3409.86 g/mol
• Exact Mass: 3407.04
• IUPAC Name: 2-[4-[1,1,1,3,3,3-hexafluoro-2-[4-(9-methyl-1,10-phenanthrolin-2-yl)phenyl]propan-2-yl]phenyl]-9-methyl-1,10-phenanthroline;2-[4-[1,1,1,3,3,3-hexafluoro-2-[4-(1,10-phenanthrolin-2-yl)phenyl]propan-2-yl]phenyl]-1,10-phenanthroline;2-methyl-9-[3-[4-(9-methyl-1,10-phenanthrolin-2-yl)phenyl]sulfanylphenyl]-1,10-phenanthroline;2-naphthalen-1-yl-9-[3-[4-(9-naphthalen-1-yl-1,10-phenanthrolin-2-yl)phenyl]sulfanylphenyl]-1,10-phenanthroline;2-phenyl-9-[3-[4-(9-phenyl-1,10-phenanthrolin-2-yl)phenyl]sulfanylphenyl]-1,10-phenanthroline
• SMILES: Cc1ccc2ccc3ccc(-c4ccc(C(c5ccc(-c6ccc7ccc8ccc(C)nc8c7n6)cc5)(C(F)(F)F)C(F)(F)F)cc4)nc3c2n1.Cc1ccc2ccc3ccc(-c4ccc(Sc5cccc(-c6ccc7ccc8ccc(C)nc8c7n6)c5)cc4)nc3c2n1.FC(F)(F)C(c1ccc(-c2ccc3ccc4cccnc4c3n2)cc1)(c1ccc(-c2ccc3ccc4cccnc4c3n2)cc1)C(F)(F)F.c1cc(Sc2ccc(-c3ccc4ccc5ccc(-c6cccc7ccccc67)nc5c4n3)cc2)cc(-c2ccc3ccc4ccc(-c5cccc6ccccc56)nc4c3n2)c1.c1ccc(-c2ccc3ccc4ccc(-c5ccc(Sc6cccc(-c7ccc8ccc9ccc(-c%10ccccc%10)nc9c8n7)c6)cc5)nc4c3n2)cc1
• InChI: InChI=1S/C56H34N4S.C48H30N4S.C41H26F6N4.C39H22F6N4.C38H26N4S/c1-3-14-45-35(8-1)10-6-16-47(45)51-32-26-40-20-18-38-24-30-49(57-53(38)55(40)59-51)37-22-28-43(29-23-37)61-44-13-5-12-42(34-44)50-31-25-39-19-21-41-27-33-52(60-56(41)54(39)58-50)48-17-7-11-36-9-2-4-15-46(36)48;1-3-8-31(9-4-1)41-26-20-34-14-15-36-22-28-43(51-46(36)45(34)49-41)33-18-24-39(25-19-33)53-40-13-7-12-38(30-40)44-29-23-37-17-16-35-21-27-42(32-10-5-2-6-11-32)50-47(35)48(37)52-44;1-23-3-5-27-7-9-29-15-21-33(50-37(29)35(27)48-23)25-11-17-31(18-12-25)39(40(42,43)44,41(45,46)47)32-19-13-26(14-20-32)34-22-16-30-10-8-28-6-4-24(2)49-36(28)38(30)51-34;40-38(41,42)37(39(43,44)45,29-15-9-23(10-16-29)31-19-13-27-7-5-25-3-1-21-46-33(25)35(27)48-31)30-17-11-24(12-18-30)32-20-14-28-8-6-26-4-2-22-47-34(26)36(28)49-32;1-23-6-8-26-10-12-28-16-20-33(41-37(28)35(26)39-23)25-14-18-31(19-15-25)43-32-5-3-4-30(22-32)34-21-17-29-13-11-27-9-7-24(2)40-36(27)38(29)42-34/h1-34H;1-30H;3-22H,1-2H3;1-22H;3-22H,1-2H3
• InChIKey: KUTFSZDBRHSGPZ-UHFFFAOYSA-N
• XLogP: 59.55
• TPSA: 257.80 Ų
• H-Bond Acceptors: 23
• Rotatable Bonds: 24
• Heavy Atoms: 257
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3409.86
LogP ≤ 5	59.55
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	23

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[4-[1,1,1,3,3,3-hexafluoro-2-[4-(9-methyl-1,10-phenanthrolin-2-yl)phenyl]propan-2-yl]phenyl]-9-methyl-1,10-phenanthroline;2-[4-[1,1,1,3,3,3-hexafluoro-2-[4-(1,10-phenanthrolin-2-yl)phenyl]propan-2-yl]phenyl]-1,10-phenanthroline;2-methyl-9-[3-[4-(9-methyl-1,10-phenanthrolin-2-yl)phenyl]sulfanylphenyl]-1,10-phenanthroline;2-naphthalen-1-yl-9-[3-[4-(9-naphthalen-1-yl-1,10-phenanthrolin-2-yl)phenyl]sulfanylphenyl]-1,10-phenanthroline;2-phenyl-9-[3-[4-(9-phenyl-1,10-phenanthrolin-2-yl)phenyl]sulfanylphenyl]-1,10-phenanthroline?

The IUPAC name of 2-[4-[1,1,1,3,3,3-hexafluoro-2-[4-(9-methyl-1,10-phenanthrolin-2-yl)phenyl]propan-2-yl]phenyl]-9-methyl-1,10-phenanthroline;2-[4-[1,1,1,3,3,3-hexafluoro-2-[4-(1,10-phenanthrolin-2-yl)phenyl]propan-2-yl]phenyl]-1,10-phenanthroline;2-methyl-9-[3-[4-(9-methyl-1,10-phenanthrolin-2-yl)phenyl]sulfanylphenyl]-1,10-phenanthroline;2-naphthalen-1-yl-9-[3-[4-(9-naphthalen-1-yl-1,10-phenanthrolin-2-yl)phenyl]sulfanylphenyl]-1,10-phenanthroline;2-phenyl-9-[3-[4-(9-phenyl-1,10-phenanthrolin-2-yl)phenyl]sulfanylphenyl]-1,10-phenanthroline (CID 159246550) is 2-[4-[1,1,1,3,3,3-hexafluoro-2-[4-(9-methyl-1,10-phenanthrolin-2-yl)phenyl]propan-2-yl]phenyl]-9-methyl-1,10-phenanthroline;2-[4-[1,1,1,3,3,3-hexafluoro-2-[4-(1,10-phenanthrolin-2-yl)phenyl]propan-2-yl]phenyl]-1,10-phenanthroline;2-methyl-9-[3-[4-(9-methyl-1,10-phenanthrolin-2-yl)phenyl]sulfanylphenyl]-1,10-phenanthroline;2-naphthalen-1-yl-9-[3-[4-(9-naphthalen-1-yl-1,10-phenanthrolin-2-yl)phenyl]sulfanylphenyl]-1,10-phenanthroline;2-phenyl-9-[3-[4-(9-phenyl-1,10-phenanthrolin-2-yl)phenyl]sulfanylphenyl]-1,10-phenanthroline.

What is the SMILES notation for 2-[4-[1,1,1,3,3,3-hexafluoro-2-[4-(9-methyl-1,10-phenanthrolin-2-yl)phenyl]propan-2-yl]phenyl]-9-methyl-1,10-phenanthroline;2-[4-[1,1,1,3,3,3-hexafluoro-2-[4-(1,10-phenanthrolin-2-yl)phenyl]propan-2-yl]phenyl]-1,10-phenanthroline;2-methyl-9-[3-[4-(9-methyl-1,10-phenanthrolin-2-yl)phenyl]sulfanylphenyl]-1,10-phenanthroline;2-naphthalen-1-yl-9-[3-[4-(9-naphthalen-1-yl-1,10-phenanthrolin-2-yl)phenyl]sulfanylphenyl]-1,10-phenanthroline;2-phenyl-9-[3-[4-(9-phenyl-1,10-phenanthrolin-2-yl)phenyl]sulfanylphenyl]-1,10-phenanthroline?

The canonical SMILES for 2-[4-[1,1,1,3,3,3-hexafluoro-2-[4-(9-methyl-1,10-phenanthrolin-2-yl)phenyl]propan-2-yl]phenyl]-9-methyl-1,10-phenanthroline;2-[4-[1,1,1,3,3,3-hexafluoro-2-[4-(1,10-phenanthrolin-2-yl)phenyl]propan-2-yl]phenyl]-1,10-phenanthroline;2-methyl-9-[3-[4-(9-methyl-1,10-phenanthrolin-2-yl)phenyl]sulfanylphenyl]-1,10-phenanthroline;2-naphthalen-1-yl-9-[3-[4-(9-naphthalen-1-yl-1,10-phenanthrolin-2-yl)phenyl]sulfanylphenyl]-1,10-phenanthroline;2-phenyl-9-[3-[4-(9-phenyl-1,10-phenanthrolin-2-yl)phenyl]sulfanylphenyl]-1,10-phenanthroline is Cc1ccc2ccc3ccc(-c4ccc(C(c5ccc(-c6ccc7ccc8ccc(C)nc8c7n6)cc5)(C(F)(F)F)C(F)(F)F)cc4)nc3c2n1.Cc1ccc2ccc3ccc(-c4ccc(Sc5cccc(-c6ccc7ccc8ccc(C)nc8c7n6)c5)cc4)nc3c2n1.FC(F)(F)C(c1ccc(-c2ccc3ccc4cccnc4c3n2)cc1)(c1ccc(-c2ccc3ccc4cccnc4c3n2)cc1)C(F)(F)F.c1cc(Sc2ccc(-c3ccc4ccc5ccc(-c6cccc7ccccc67)nc5c4n3)cc2)cc(-c2ccc3ccc4ccc(-c5cccc6ccccc56)nc4c3n2)c1.c1ccc(-c2ccc3ccc4ccc(-c5ccc(Sc6cccc(-c7ccc8ccc9ccc(-c%10ccccc%10)nc9c8n7)c6)cc5)nc4c3n2)cc1.

What is the InChIKey of 2-[4-[1,1,1,3,3,3-hexafluoro-2-[4-(9-methyl-1,10-phenanthrolin-2-yl)phenyl]propan-2-yl]phenyl]-9-methyl-1,10-phenanthroline;2-[4-[1,1,1,3,3,3-hexafluoro-2-[4-(1,10-phenanthrolin-2-yl)phenyl]propan-2-yl]phenyl]-1,10-phenanthroline;2-methyl-9-[3-[4-(9-methyl-1,10-phenanthrolin-2-yl)phenyl]sulfanylphenyl]-1,10-phenanthroline;2-naphthalen-1-yl-9-[3-[4-(9-naphthalen-1-yl-1,10-phenanthrolin-2-yl)phenyl]sulfanylphenyl]-1,10-phenanthroline;2-phenyl-9-[3-[4-(9-phenyl-1,10-phenanthrolin-2-yl)phenyl]sulfanylphenyl]-1,10-phenanthroline?

The InChIKey is KUTFSZDBRHSGPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H34N4S.C48H30N4S.C41H26F6N4.C39H22F6N4.C38H26N4S/c1-3-14-45-35(8-1)10-6-16-47(45)51-32-26-40-20-18-38-24-30-49(57-53(38)55(40)59-51)37-22-28-43(29-23-37)61-44-13-5-12-42(34-44)50-31-25-39-19-21-41-27-33-52(60-56(41)54(39)58-50)48-17-7-11-36-9-2-4-15-46(36)48;1-3-8-31(9-4-1)41-26-20-34-14-15-36-22-28-43(51-46(36)45(34)49-41)33-18-24-39(25-19-33)53-40-13-7-12-38(30-40)44-29-23-37-17-16-35-21-27-42(32-10-5-2-6-11-32)50-47(35)48(37)52-44;1-23-3-5-27-7-9-29-15-21-33(50-37(29)35(27)48-23)25-11-17-31(18-12-25)39(40(42,43)44,41(45,46)47)32-19-13-26(14-20-32)34-22-16-30-10-8-28-6-4-24(2)49-36(28)38(30)51-34;40-38(41,42)37(39(43,44)45,29-15-9-23(10-16-29)31-19-13-27-7-5-25-3-1-21-46-33(25)35(27)48-31)30-17-11-24(12-18-30)32-20-14-28-8-6-26-4-2-22-47-34(26)36(28)49-32;1-23-6-8-26-10-12-28-16-20-33(41-37(28)35(26)39-23)25-14-18-31(19-15-25)43-32-5-3-4-30(22-32)34-21-17-29-13-11-27-9-7-24(2)40-36(27)38(29)42-34/h1-34H;1-30H;3-22H,1-2H3;1-22H;3-22H,1-2H3.

What are the key properties of 2-[4-[1,1,1,3,3,3-hexafluoro-2-[4-(9-methyl-1,10-phenanthrolin-2-yl)phenyl]propan-2-yl]phenyl]-9-methyl-1,10-phenanthroline;2-[4-[1,1,1,3,3,3-hexafluoro-2-[4-(1,10-phenanthrolin-2-yl)phenyl]propan-2-yl]phenyl]-1,10-phenanthroline;2-methyl-9-[3-[4-(9-methyl-1,10-phenanthrolin-2-yl)phenyl]sulfanylphenyl]-1,10-phenanthroline;2-naphthalen-1-yl-9-[3-[4-(9-naphthalen-1-yl-1,10-phenanthrolin-2-yl)phenyl]sulfanylphenyl]-1,10-phenanthroline;2-phenyl-9-[3-[4-(9-phenyl-1,10-phenanthrolin-2-yl)phenyl]sulfanylphenyl]-1,10-phenanthroline?

2-[4-[1,1,1,3,3,3-hexafluoro-2-[4-(9-methyl-1,10-phenanthrolin-2-yl)phenyl]propan-2-yl]phenyl]-9-methyl-1,10-phenanthroline;2-[4-[1,1,1,3,3,3-hexafluoro-2-[4-(1,10-phenanthrolin-2-yl)phenyl]propan-2-yl]phenyl]-1,10-phenanthroline;2-methyl-9-[3-[4-(9-methyl-1,10-phenanthrolin-2-yl)phenyl]sulfanylphenyl]-1,10-phenanthroline;2-naphthalen-1-yl-9-[3-[4-(9-naphthalen-1-yl-1,10-phenanthrolin-2-yl)phenyl]sulfanylphenyl]-1,10-phenanthroline;2-phenyl-9-[3-[4-(9-phenyl-1,10-phenanthrolin-2-yl)phenyl]sulfanylphenyl]-1,10-phenanthroline has a molecular weight of 3409.86 g/mol, XLogP of 59.55, 24 rotatable bonds, 0 hydrogen bond donors, and 23 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4-[1,1,1,3,3,3-hexafluoro-2-[4-(9-methyl-1,10-phenanthrolin-2-yl)phenyl]propan-2-yl]phenyl]-9-methyl-1,10-phenanthroline;2-[4-[1,1,1,3,3,3-hexafluoro-2-[4-(1,10-phenanthrolin-2-yl)phenyl]propan-2-yl]phenyl]-1,10-phenanthroline;2-methyl-9-[3-[4-(9-methyl-1,10-phenanthrolin-2-yl)phenyl]sulfanylphenyl]-1,10-phenanthroline;2-naphthalen-1-yl-9-[3-[4-(9-naphthalen-1-yl-1,10-phenanthrolin-2-yl)phenyl]sulfanylphenyl]-1,10-phenanthroline;2-phenyl-9-[3-[4-(9-phenyl-1,10-phenanthrolin-2-yl)phenyl]sulfanylphenyl]-1,10-phenanthroline is sourced from PubChem (CID 159246550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).