2-[4-[1,1,1,3,3,3-hexafluoro-2-[4-(9-methylbenzo[h]quinolin-2-yl)phenyl]propan-2-yl]phenyl]-9-methylbenzo[h]quinoline;9-methyl-2-[4-[4-(9-methylbenzo[h]quinolin-2-yl)phenoxy]phenyl]benzo[h]quinoline;9-methyl-2-[4-[4-(9-methylbenzo[h]quinolin-2-yl)phenyl]sulfanylphenyl]benzo[h]quinoline;2-methyl-9-[4-[1-[4-(9-methyl-1,10-phenanthrolin-2-yl)phenyl]cyclopentyl]phenyl]-1,10-phenanthroline

C166H118F6N10OS — CID 157451973

About 2-[4-[1,1,1,3,3,3-hexafluoro-2-[4-(9-methylbenzo[h]quinolin-2-yl)phenyl]propan-2-yl]phenyl]-9-methylbenzo[h]quinoline;9-methyl-2-[4-[4-(9-methylbenzo[h]quinolin-2-yl)phenoxy]phenyl]benzo[h]quinoline;9-methyl-2-[4-[4-(9-methylbenzo[h]quinolin-2-yl)phenyl]sulfanylphenyl]benzo[h]quinoline;2-methyl-9-[4-[1-[4-(9-methyl-1,10-phenanthrolin-2-yl)phenyl]cyclopentyl]phenyl]-1,10-phenanthroline

2-[4-[1,1,1,3,3,3-hexafluoro-2-[4-(9-methylbenzo[h]quinolin-2-yl)phenyl]propan-2-yl]phenyl]-9-methylbenzo[h]quinoline;9-methyl-2-[4-[4-(9-methylbenzo[h]quinolin-2-yl)phenoxy]phenyl]benzo[h]quinoline;9-methyl-2-[4-[4-(9-methylbenzo[h]quinolin-2-yl)phenyl]sulfanylphenyl]benzo[h]quinoline;2-methyl-9-[4-[1-[4-(9-methyl-1,10-phenanthrolin-2-yl)phenyl]cyclopentyl]phenyl]-1,10-phenanthroline (PubChem CID 157451973) has the molecular formula C166H118F6N10OS and a molecular weight of 2414.89 g/mol. Its IUPAC name is 2-[4-[1,1,1,3,3,3-hexafluoro-2-[4-(9-methylbenzo[h]quinolin-2-yl)phenyl]propan-2-yl]phenyl]-9-methylbenzo[h]quinoline;9-methyl-2-[4-[4-(9-methylbenzo[h]quinolin-2-yl)phenoxy]phenyl]benzo[h]quinoline;9-methyl-2-[4-[4-(9-methylbenzo[h]quinolin-2-yl)phenyl]sulfanylphenyl]benzo[h]quinoline;2-methyl-9-[4-[1-[4-(9-methyl-1,10-phenanthrolin-2-yl)phenyl]cyclopentyl]phenyl]-1,10-phenanthroline.

Molecular Properties

• Compound Name: 2-[4-[1,1,1,3,3,3-hexafluoro-2-[4-(9-methylbenzo[h]quinolin-2-yl)phenyl]propan-2-yl]phenyl]-9-methylbenzo[h]quinoline;9-methyl-2-[4-[4-(9-methylbenzo[h]quinolin-2-yl)phenoxy]phenyl]benzo[h]quinoline;9-methyl-2-[4-[4-(9-methylbenzo[h]quinolin-2-yl)phenyl]sulfanylphenyl]benzo[h]quinoline;2-methyl-9-[4-[1-[4-(9-methyl-1,10-phenanthrolin-2-yl)phenyl]cyclopentyl]phenyl]-1,10-phenanthroline
• PubChem CID: 157451973
• Molecular Formula: C166H118F6N10OS
• Molecular Weight: 2414.89 g/mol
• Exact Mass: 2412.91
• IUPAC Name: 2-[4-[1,1,1,3,3,3-hexafluoro-2-[4-(9-methylbenzo[h]quinolin-2-yl)phenyl]propan-2-yl]phenyl]-9-methylbenzo[h]quinoline;9-methyl-2-[4-[4-(9-methylbenzo[h]quinolin-2-yl)phenoxy]phenyl]benzo[h]quinoline;9-methyl-2-[4-[4-(9-methylbenzo[h]quinolin-2-yl)phenyl]sulfanylphenyl]benzo[h]quinoline;2-methyl-9-[4-[1-[4-(9-methyl-1,10-phenanthrolin-2-yl)phenyl]cyclopentyl]phenyl]-1,10-phenanthroline
• SMILES: Cc1ccc2ccc3ccc(-c4ccc(C(c5ccc(-c6ccc7ccc8ccc(C)cc8c7n6)cc5)(C(F)(F)F)C(F)(F)F)cc4)nc3c2c1.Cc1ccc2ccc3ccc(-c4ccc(C5(c6ccc(-c7ccc8ccc9ccc(C)nc9c8n7)cc6)CCCC5)cc4)nc3c2n1.Cc1ccc2ccc3ccc(-c4ccc(Oc5ccc(-c6ccc7ccc8ccc(C)cc8c7n6)cc5)cc4)nc3c2c1.Cc1ccc2ccc3ccc(-c4ccc(Sc5ccc(-c6ccc7ccc8ccc(C)cc8c7n6)cc5)cc4)nc3c2c1
• InChI: InChI=1S/C43H28F6N2.C43H34N4.C40H28N2O.C40H28N2S/c1-25-3-5-27-7-9-31-15-21-37(50-39(31)35(27)23-25)29-11-17-33(18-12-29)41(42(44,45)46,43(47,48)49)34-19-13-30(14-20-34)38-22-16-32-10-8-28-6-4-26(2)24-36(28)40(32)51-38;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;2*1-25-3-5-27-7-9-31-15-21-37(41-39(31)35(27)23-25)29-11-17-33(18-12-29)43-34-19-13-30(14-20-34)38-22-16-32-10-8-28-6-4-26(2)24-36(28)40(32)42-38/h3-24H,1-2H3;5-24H,3-4,25-26H2,1-2H3;2*3-24H,1-2H3
• InChIKey: BSXIBIZJQYUMMI-UHFFFAOYSA-N
• XLogP: 45.17
• TPSA: 138.13 Ų
• H-Bond Acceptors: 12
• Rotatable Bonds: 16
• Heavy Atoms: 184
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2414.89
LogP ≤ 5	45.17
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	12

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-methylbenzo[h]quinolin-2-yl)phenyl]propan-2-yl]phenyl]-9-methylbenzo[h]quinoline;9-methyl-2-[4-[4-(9-methylbenzo[h]quinolin-2-yl)phenoxy]phenyl]benzo[h]quinoline;9-methyl-2-[4-[4-(9-methylbenzo[h]quinolin-2-yl)phenyl]sulfanylphenyl]benzo[h]quinoline;2-methyl-9-[4-[1-[4-(9-methyl-1,10-phenanthrolin-2-yl)phenyl]cyclopentyl]phenyl]-1,10-phenanthroline?

The IUPAC name of 2-[4-[1,1,1,3,3,3-hexafluoro-2-[4-(9-methylbenzo[h]quinolin-2-yl)phenyl]propan-2-yl]phenyl]-9-methylbenzo[h]quinoline;9-methyl-2-[4-[4-(9-methylbenzo[h]quinolin-2-yl)phenoxy]phenyl]benzo[h]quinoline;9-methyl-2-[4-[4-(9-methylbenzo[h]quinolin-2-yl)phenyl]sulfanylphenyl]benzo[h]quinoline;2-methyl-9-[4-[1-[4-(9-methyl-1,10-phenanthrolin-2-yl)phenyl]cyclopentyl]phenyl]-1,10-phenanthroline (CID 157451973) is 2-[4-[1,1,1,3,3,3-hexafluoro-2-[4-(9-methylbenzo[h]quinolin-2-yl)phenyl]propan-2-yl]phenyl]-9-methylbenzo[h]quinoline;9-methyl-2-[4-[4-(9-methylbenzo[h]quinolin-2-yl)phenoxy]phenyl]benzo[h]quinoline;9-methyl-2-[4-[4-(9-methylbenzo[h]quinolin-2-yl)phenyl]sulfanylphenyl]benzo[h]quinoline;2-methyl-9-[4-[1-[4-(9-methyl-1,10-phenanthrolin-2-yl)phenyl]cyclopentyl]phenyl]-1,10-phenanthroline.

What is the SMILES notation for 2-[4-[1,1,1,3,3,3-hexafluoro-2-[4-(9-methylbenzo[h]quinolin-2-yl)phenyl]propan-2-yl]phenyl]-9-methylbenzo[h]quinoline;9-methyl-2-[4-[4-(9-methylbenzo[h]quinolin-2-yl)phenoxy]phenyl]benzo[h]quinoline;9-methyl-2-[4-[4-(9-methylbenzo[h]quinolin-2-yl)phenyl]sulfanylphenyl]benzo[h]quinoline;2-methyl-9-[4-[1-[4-(9-methyl-1,10-phenanthrolin-2-yl)phenyl]cyclopentyl]phenyl]-1,10-phenanthroline?

The canonical SMILES for 2-[4-[1,1,1,3,3,3-hexafluoro-2-[4-(9-methylbenzo[h]quinolin-2-yl)phenyl]propan-2-yl]phenyl]-9-methylbenzo[h]quinoline;9-methyl-2-[4-[4-(9-methylbenzo[h]quinolin-2-yl)phenoxy]phenyl]benzo[h]quinoline;9-methyl-2-[4-[4-(9-methylbenzo[h]quinolin-2-yl)phenyl]sulfanylphenyl]benzo[h]quinoline;2-methyl-9-[4-[1-[4-(9-methyl-1,10-phenanthrolin-2-yl)phenyl]cyclopentyl]phenyl]-1,10-phenanthroline is Cc1ccc2ccc3ccc(-c4ccc(C(c5ccc(-c6ccc7ccc8ccc(C)cc8c7n6)cc5)(C(F)(F)F)C(F)(F)F)cc4)nc3c2c1.Cc1ccc2ccc3ccc(-c4ccc(C5(c6ccc(-c7ccc8ccc9ccc(C)nc9c8n7)cc6)CCCC5)cc4)nc3c2n1.Cc1ccc2ccc3ccc(-c4ccc(Oc5ccc(-c6ccc7ccc8ccc(C)cc8c7n6)cc5)cc4)nc3c2c1.Cc1ccc2ccc3ccc(-c4ccc(Sc5ccc(-c6ccc7ccc8ccc(C)cc8c7n6)cc5)cc4)nc3c2c1.

What is the InChIKey of 2-[4-[1,1,1,3,3,3-hexafluoro-2-[4-(9-methylbenzo[h]quinolin-2-yl)phenyl]propan-2-yl]phenyl]-9-methylbenzo[h]quinoline;9-methyl-2-[4-[4-(9-methylbenzo[h]quinolin-2-yl)phenoxy]phenyl]benzo[h]quinoline;9-methyl-2-[4-[4-(9-methylbenzo[h]quinolin-2-yl)phenyl]sulfanylphenyl]benzo[h]quinoline;2-methyl-9-[4-[1-[4-(9-methyl-1,10-phenanthrolin-2-yl)phenyl]cyclopentyl]phenyl]-1,10-phenanthroline?

The InChIKey is BSXIBIZJQYUMMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H28F6N2.C43H34N4.C40H28N2O.C40H28N2S/c1-25-3-5-27-7-9-31-15-21-37(50-39(31)35(27)23-25)29-11-17-33(18-12-29)41(42(44,45)46,43(47,48)49)34-19-13-30(14-20-34)38-22-16-32-10-8-28-6-4-26(2)24-36(28)40(32)51-38;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;2*1-25-3-5-27-7-9-31-15-21-37(41-39(31)35(27)23-25)29-11-17-33(18-12-29)43-34-19-13-30(14-20-34)38-22-16-32-10-8-28-6-4-26(2)24-36(28)40(32)42-38/h3-24H,1-2H3;5-24H,3-4,25-26H2,1-2H3;2*3-24H,1-2H3.

What are the key properties of 2-[4-[1,1,1,3,3,3-hexafluoro-2-[4-(9-methylbenzo[h]quinolin-2-yl)phenyl]propan-2-yl]phenyl]-9-methylbenzo[h]quinoline;9-methyl-2-[4-[4-(9-methylbenzo[h]quinolin-2-yl)phenoxy]phenyl]benzo[h]quinoline;9-methyl-2-[4-[4-(9-methylbenzo[h]quinolin-2-yl)phenyl]sulfanylphenyl]benzo[h]quinoline;2-methyl-9-[4-[1-[4-(9-methyl-1,10-phenanthrolin-2-yl)phenyl]cyclopentyl]phenyl]-1,10-phenanthroline?

2-[4-[1,1,1,3,3,3-hexafluoro-2-[4-(9-methylbenzo[h]quinolin-2-yl)phenyl]propan-2-yl]phenyl]-9-methylbenzo[h]quinoline;9-methyl-2-[4-[4-(9-methylbenzo[h]quinolin-2-yl)phenoxy]phenyl]benzo[h]quinoline;9-methyl-2-[4-[4-(9-methylbenzo[h]quinolin-2-yl)phenyl]sulfanylphenyl]benzo[h]quinoline;2-methyl-9-[4-[1-[4-(9-methyl-1,10-phenanthrolin-2-yl)phenyl]cyclopentyl]phenyl]-1,10-phenanthroline has a molecular weight of 2414.89 g/mol, XLogP of 45.17, 16 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4-[1,1,1,3,3,3-hexafluoro-2-[4-(9-methylbenzo[h]quinolin-2-yl)phenyl]propan-2-yl]phenyl]-9-methylbenzo[h]quinoline;9-methyl-2-[4-[4-(9-methylbenzo[h]quinolin-2-yl)phenoxy]phenyl]benzo[h]quinoline;9-methyl-2-[4-[4-(9-methylbenzo[h]quinolin-2-yl)phenyl]sulfanylphenyl]benzo[h]quinoline;2-methyl-9-[4-[1-[4-(9-methyl-1,10-phenanthrolin-2-yl)phenyl]cyclopentyl]phenyl]-1,10-phenanthroline is sourced from PubChem (CID 157451973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).