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

C235H154F18N20 — CID 157299249

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

2-[3-[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-[3-[1,1,1,3,3,3-hexafluoro-2-[4-(9-naphthalen-1-yl-1,10-phenanthrolin-2-yl)phenyl]propan-2-yl]phenyl]-9-naphthalen-1-yl-1,10-phenanthroline;2-[3-[1,1,1,3,3,3-hexafluoro-2-[4-(9-phenyl-1,10-phenanthrolin-2-yl)phenyl]propan-2-yl]phenyl]-9-phenyl-1,10-phenanthroline;2-methyl-9-[4-[1-[4-(9-methyl-1,10-phenanthrolin-2-yl)phenyl]cyclopentyl]phenyl]-1,10-phenanthroline;2-[4-[1-[4-(1,10-phenanthrolin-2-yl)phenyl]cyclopentyl]phenyl]-1,10-phenanthroline (PubChem CID 157299249) has the molecular formula C235H154F18N20 and a molecular weight of 3599.92 g/mol. Its IUPAC name is 2-[3-[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-[3-[1,1,1,3,3,3-hexafluoro-2-[4-(9-naphthalen-1-yl-1,10-phenanthrolin-2-yl)phenyl]propan-2-yl]phenyl]-9-naphthalen-1-yl-1,10-phenanthroline;2-[3-[1,1,1,3,3,3-hexafluoro-2-[4-(9-phenyl-1,10-phenanthrolin-2-yl)phenyl]propan-2-yl]phenyl]-9-phenyl-1,10-phenanthroline;2-methyl-9-[4-[1-[4-(9-methyl-1,10-phenanthrolin-2-yl)phenyl]cyclopentyl]phenyl]-1,10-phenanthroline;2-[4-[1-[4-(1,10-phenanthrolin-2-yl)phenyl]cyclopentyl]phenyl]-1,10-phenanthroline.

Molecular Properties

• Compound Name: 2-[3-[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-[3-[1,1,1,3,3,3-hexafluoro-2-[4-(9-naphthalen-1-yl-1,10-phenanthrolin-2-yl)phenyl]propan-2-yl]phenyl]-9-naphthalen-1-yl-1,10-phenanthroline;2-[3-[1,1,1,3,3,3-hexafluoro-2-[4-(9-phenyl-1,10-phenanthrolin-2-yl)phenyl]propan-2-yl]phenyl]-9-phenyl-1,10-phenanthroline;2-methyl-9-[4-[1-[4-(9-methyl-1,10-phenanthrolin-2-yl)phenyl]cyclopentyl]phenyl]-1,10-phenanthroline;2-[4-[1-[4-(1,10-phenanthrolin-2-yl)phenyl]cyclopentyl]phenyl]-1,10-phenanthroline
• PubChem CID: 157299249
• Molecular Formula: C235H154F18N20
• Molecular Weight: 3599.92 g/mol
• Exact Mass: 3597.24
• IUPAC Name: 2-[3-[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-[3-[1,1,1,3,3,3-hexafluoro-2-[4-(9-naphthalen-1-yl-1,10-phenanthrolin-2-yl)phenyl]propan-2-yl]phenyl]-9-naphthalen-1-yl-1,10-phenanthroline;2-[3-[1,1,1,3,3,3-hexafluoro-2-[4-(9-phenyl-1,10-phenanthrolin-2-yl)phenyl]propan-2-yl]phenyl]-9-phenyl-1,10-phenanthroline;2-methyl-9-[4-[1-[4-(9-methyl-1,10-phenanthrolin-2-yl)phenyl]cyclopentyl]phenyl]-1,10-phenanthroline;2-[4-[1-[4-(1,10-phenanthrolin-2-yl)phenyl]cyclopentyl]phenyl]-1,10-phenanthroline
• SMILES: Cc1ccc2ccc3ccc(-c4ccc(C(c5cccc(-c6ccc7ccc8ccc(C)nc8c7n6)c5)(C(F)(F)F)C(F)(F)F)cc4)nc3c2n1.Cc1ccc2ccc3ccc(-c4ccc(C5(c6ccc(-c7ccc8ccc9ccc(C)nc9c8n7)cc6)CCCC5)cc4)nc3c2n1.FC(F)(F)C(c1ccc(-c2ccc3ccc4ccc(-c5cccc6ccccc56)nc4c3n2)cc1)(c1cccc(-c2ccc3ccc4ccc(-c5cccc6ccccc56)nc4c3n2)c1)C(F)(F)F.FC(F)(F)C(c1ccc(-c2ccc3ccc4ccc(-c5ccccc5)nc4c3n2)cc1)(c1cccc(-c2ccc3ccc4ccc(-c5ccccc5)nc4c3n2)c1)C(F)(F)F.c1cnc2c(c1)ccc1ccc(-c3ccc(C4(c5ccc(-c6ccc7ccc8cccnc8c7n6)cc5)CCCC4)cc3)nc12
• InChI: InChI=1S/C59H34F6N4.C51H30F6N4.C43H34N4.C41H26F6N4.C41H30N4/c60-58(61,62)57(59(63,64)65,43-28-22-37(23-29-43)49-30-24-38-18-20-40-26-32-51(68-55(40)53(38)66-49)47-16-6-10-35-8-1-3-14-45(35)47)44-13-5-12-42(34-44)50-31-25-39-19-21-41-27-33-52(69-56(41)54(39)67-50)48-17-7-11-36-9-2-4-15-46(36)48;52-50(53,54)49(51(55,56)57,39-24-18-33(19-25-39)43-28-22-36-15-14-34-20-26-41(31-8-3-1-4-9-31)58-45(34)46(36)60-43)40-13-7-12-38(30-40)44-29-23-37-17-16-35-21-27-42(32-10-5-2-6-11-32)59-47(35)48(37)61-44;1-27-5-7-31-9-11-33-17-23-37(46-41(33)39(31)44-27)29-13-19-35(20-14-29)43(25-3-4-26-43)36-21-15-30(16-22-36)38-24-18-34-12-10-32-8-6-28(2)45-40(32)42(34)47-38;1-23-6-8-26-10-12-28-16-20-33(50-37(28)35(26)48-23)25-14-18-31(19-15-25)39(40(42,43)44,41(45,46)47)32-5-3-4-30(22-32)34-21-17-29-13-11-27-9-7-24(2)49-36(27)38(29)51-34;1-2-24-41(23-1,33-17-11-27(12-18-33)35-21-15-31-9-7-29-5-3-25-42-37(29)39(31)44-35)34-19-13-28(14-20-34)36-22-16-32-10-8-30-6-4-26-43-38(30)40(32)45-36/h1-34H;1-30H;5-24H,3-4,25-26H2,1-2H3;3-22H,1-2H3;3-22,25-26H,1-2,23-24H2
• InChIKey: BBRXROCLJDWPNA-UHFFFAOYSA-N
• XLogP: 62.23
• TPSA: 257.80 Ų
• H-Bond Acceptors: 20
• Rotatable Bonds: 24
• Heavy Atoms: 273
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3599.92
LogP ≤ 5	62.23
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	20

Computed Properties (RDKit)

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

Frequently Asked Questions

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

The IUPAC name of 2-[3-[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-[3-[1,1,1,3,3,3-hexafluoro-2-[4-(9-naphthalen-1-yl-1,10-phenanthrolin-2-yl)phenyl]propan-2-yl]phenyl]-9-naphthalen-1-yl-1,10-phenanthroline;2-[3-[1,1,1,3,3,3-hexafluoro-2-[4-(9-phenyl-1,10-phenanthrolin-2-yl)phenyl]propan-2-yl]phenyl]-9-phenyl-1,10-phenanthroline;2-methyl-9-[4-[1-[4-(9-methyl-1,10-phenanthrolin-2-yl)phenyl]cyclopentyl]phenyl]-1,10-phenanthroline;2-[4-[1-[4-(1,10-phenanthrolin-2-yl)phenyl]cyclopentyl]phenyl]-1,10-phenanthroline (CID 157299249) is 2-[3-[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-[3-[1,1,1,3,3,3-hexafluoro-2-[4-(9-naphthalen-1-yl-1,10-phenanthrolin-2-yl)phenyl]propan-2-yl]phenyl]-9-naphthalen-1-yl-1,10-phenanthroline;2-[3-[1,1,1,3,3,3-hexafluoro-2-[4-(9-phenyl-1,10-phenanthrolin-2-yl)phenyl]propan-2-yl]phenyl]-9-phenyl-1,10-phenanthroline;2-methyl-9-[4-[1-[4-(9-methyl-1,10-phenanthrolin-2-yl)phenyl]cyclopentyl]phenyl]-1,10-phenanthroline;2-[4-[1-[4-(1,10-phenanthrolin-2-yl)phenyl]cyclopentyl]phenyl]-1,10-phenanthroline.

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

The canonical SMILES for 2-[3-[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-[3-[1,1,1,3,3,3-hexafluoro-2-[4-(9-naphthalen-1-yl-1,10-phenanthrolin-2-yl)phenyl]propan-2-yl]phenyl]-9-naphthalen-1-yl-1,10-phenanthroline;2-[3-[1,1,1,3,3,3-hexafluoro-2-[4-(9-phenyl-1,10-phenanthrolin-2-yl)phenyl]propan-2-yl]phenyl]-9-phenyl-1,10-phenanthroline;2-methyl-9-[4-[1-[4-(9-methyl-1,10-phenanthrolin-2-yl)phenyl]cyclopentyl]phenyl]-1,10-phenanthroline;2-[4-[1-[4-(1,10-phenanthrolin-2-yl)phenyl]cyclopentyl]phenyl]-1,10-phenanthroline is Cc1ccc2ccc3ccc(-c4ccc(C(c5cccc(-c6ccc7ccc8ccc(C)nc8c7n6)c5)(C(F)(F)F)C(F)(F)F)cc4)nc3c2n1.Cc1ccc2ccc3ccc(-c4ccc(C5(c6ccc(-c7ccc8ccc9ccc(C)nc9c8n7)cc6)CCCC5)cc4)nc3c2n1.FC(F)(F)C(c1ccc(-c2ccc3ccc4ccc(-c5cccc6ccccc56)nc4c3n2)cc1)(c1cccc(-c2ccc3ccc4ccc(-c5cccc6ccccc56)nc4c3n2)c1)C(F)(F)F.FC(F)(F)C(c1ccc(-c2ccc3ccc4ccc(-c5ccccc5)nc4c3n2)cc1)(c1cccc(-c2ccc3ccc4ccc(-c5ccccc5)nc4c3n2)c1)C(F)(F)F.c1cnc2c(c1)ccc1ccc(-c3ccc(C4(c5ccc(-c6ccc7ccc8cccnc8c7n6)cc5)CCCC4)cc3)nc12.

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

The InChIKey is BBRXROCLJDWPNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C59H34F6N4.C51H30F6N4.C43H34N4.C41H26F6N4.C41H30N4/c60-58(61,62)57(59(63,64)65,43-28-22-37(23-29-43)49-30-24-38-18-20-40-26-32-51(68-55(40)53(38)66-49)47-16-6-10-35-8-1-3-14-45(35)47)44-13-5-12-42(34-44)50-31-25-39-19-21-41-27-33-52(69-56(41)54(39)67-50)48-17-7-11-36-9-2-4-15-46(36)48;52-50(53,54)49(51(55,56)57,39-24-18-33(19-25-39)43-28-22-36-15-14-34-20-26-41(31-8-3-1-4-9-31)58-45(34)46(36)60-43)40-13-7-12-38(30-40)44-29-23-37-17-16-35-21-27-42(32-10-5-2-6-11-32)59-47(35)48(37)61-44;1-27-5-7-31-9-11-33-17-23-37(46-41(33)39(31)44-27)29-13-19-35(20-14-29)43(25-3-4-26-43)36-21-15-30(16-22-36)38-24-18-34-12-10-32-8-6-28(2)45-40(32)42(34)47-38;1-23-6-8-26-10-12-28-16-20-33(50-37(28)35(26)48-23)25-14-18-31(19-15-25)39(40(42,43)44,41(45,46)47)32-5-3-4-30(22-32)34-21-17-29-13-11-27-9-7-24(2)49-36(27)38(29)51-34;1-2-24-41(23-1,33-17-11-27(12-18-33)35-21-15-31-9-7-29-5-3-25-42-37(29)39(31)44-35)34-19-13-28(14-20-34)36-22-16-32-10-8-30-6-4-26-43-38(30)40(32)45-36/h1-34H;1-30H;5-24H,3-4,25-26H2,1-2H3;3-22H,1-2H3;3-22,25-26H,1-2,23-24H2.

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

2-[3-[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-[3-[1,1,1,3,3,3-hexafluoro-2-[4-(9-naphthalen-1-yl-1,10-phenanthrolin-2-yl)phenyl]propan-2-yl]phenyl]-9-naphthalen-1-yl-1,10-phenanthroline;2-[3-[1,1,1,3,3,3-hexafluoro-2-[4-(9-phenyl-1,10-phenanthrolin-2-yl)phenyl]propan-2-yl]phenyl]-9-phenyl-1,10-phenanthroline;2-methyl-9-[4-[1-[4-(9-methyl-1,10-phenanthrolin-2-yl)phenyl]cyclopentyl]phenyl]-1,10-phenanthroline;2-[4-[1-[4-(1,10-phenanthrolin-2-yl)phenyl]cyclopentyl]phenyl]-1,10-phenanthroline has a molecular weight of 3599.92 g/mol, XLogP of 62.23, 24 rotatable bonds, 0 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3-[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-[3-[1,1,1,3,3,3-hexafluoro-2-[4-(9-naphthalen-1-yl-1,10-phenanthrolin-2-yl)phenyl]propan-2-yl]phenyl]-9-naphthalen-1-yl-1,10-phenanthroline;2-[3-[1,1,1,3,3,3-hexafluoro-2-[4-(9-phenyl-1,10-phenanthrolin-2-yl)phenyl]propan-2-yl]phenyl]-9-phenyl-1,10-phenanthroline;2-methyl-9-[4-[1-[4-(9-methyl-1,10-phenanthrolin-2-yl)phenyl]cyclopentyl]phenyl]-1,10-phenanthroline;2-[4-[1-[4-(1,10-phenanthrolin-2-yl)phenyl]cyclopentyl]phenyl]-1,10-phenanthroline is sourced from PubChem (CID 157299249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).