2-(3,5-difluorophenyl)-9-[3-[9-(3,5-difluorophenyl)-4,7-dipyridin-3-yl-1,10-phenanthrolin-2-yl]phenyl]-4,7-dipyridin-3-yl-1,10-phenanthroline

C62H34F4N8 — CID 152841063

IUPAC2-(3,5-difluorophenyl)-9-[3-[9-(3,5-difluorophenyl)-4,7-dipyridin-3-yl-1,10-phenanthrolin-2-yl]phenyl]-4,7-dipyridin-3-yl-1,10-phenanthroline
SMILESFc1cc(F)cc(-c2cc(-c3cccnc3)c3ccc4c(-c5cccnc5)cc(-c5cccc(-c6cc(-c7cccnc7)c7ccc8c(-c9cccnc9)cc(-c9cc(F)cc(F)c9)nc8c7n6)c5)nc4c3n2)c1
InChIInChI=1S/C62H34F4N8/c63-43-21-41(22-44(64)25-43)57-29-53(39-10-4-18-69-33-39)49-14-12-47-51(37-8-2-16-67-31-37)27-55(71-59(47)61(49)73-57)35-6-1-7-36(20-35)56-28-52(38-9-3-17-68-32-38)48-13-15-50-54(40-11-5-19-70-34-40)30-58(74-62(50)60(48)72-56)42-23-45(65)26-46(66)24-42/h1-34H
InChIKeySYTCFINCOHGOAR-UHFFFAOYSA-N
MW967.00 g/mol
LogP15.35
Rot. Bonds8

About 2-(3,5-difluorophenyl)-9-[3-[9-(3,5-difluorophenyl)-4,7-dipyridin-3-yl-1,10-phenanthrolin-2-yl]phenyl]-4,7-dipyridin-3-yl-1,10-phenanthroline

2-(3,5-difluorophenyl)-9-[3-[9-(3,5-difluorophenyl)-4,7-dipyridin-3-yl-1,10-phenanthrolin-2-yl]phenyl]-4,7-dipyridin-3-yl-1,10-phenanthroline (PubChem CID 152841063) has the molecular formula C62H34F4N8 and a molecular weight of 967.00 g/mol. Its IUPAC name is 2-(3,5-difluorophenyl)-9-[3-[9-(3,5-difluorophenyl)-4,7-dipyridin-3-yl-1,10-phenanthrolin-2-yl]phenyl]-4,7-dipyridin-3-yl-1,10-phenanthroline.

Molecular Properties

Compound Name2-(3,5-difluorophenyl)-9-[3-[9-(3,5-difluorophenyl)-4,7-dipyridin-3-yl-1,10-phenanthrolin-2-yl]phenyl]-4,7-dipyridin-3-yl-1,10-phenanthroline
PubChem CID152841063
Molecular FormulaC62H34F4N8
Molecular Weight967.00 g/mol
Exact Mass966.28
IUPAC Name2-(3,5-difluorophenyl)-9-[3-[9-(3,5-difluorophenyl)-4,7-dipyridin-3-yl-1,10-phenanthrolin-2-yl]phenyl]-4,7-dipyridin-3-yl-1,10-phenanthroline
SMILESFc1cc(F)cc(-c2cc(-c3cccnc3)c3ccc4c(-c5cccnc5)cc(-c5cccc(-c6cc(-c7cccnc7)c7ccc8c(-c9cccnc9)cc(-c9cc(F)cc(F)c9)nc8c7n6)c5)nc4c3n2)c1
InChIInChI=1S/C62H34F4N8/c63-43-21-41(22-44(64)25-43)57-29-53(39-10-4-18-69-33-39)49-14-12-47-51(37-8-2-16-67-31-37)27-55(71-59(47)61(49)73-57)35-6-1-7-36(20-35)56-28-52(38-9-3-17-68-32-38)48-13-15-50-54(40-11-5-19-70-34-40)30-58(74-62(50)60(48)72-56)42-23-45(65)26-46(66)24-42/h1-34H
InChIKeySYTCFINCOHGOAR-UHFFFAOYSA-N
XLogP15.35
TPSA103.12 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms74
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500967.00
LogP ≤ 515.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze 2-(3,5-difluorophenyl)-9-[3-[9-(3,5-difluorophenyl)-4,7-dipyridin-3-yl-1,10-phenanthrolin-2-yl]phenyl]-4,7-dipyridin-3-yl-1,10-phenanthroline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4,7-Diphenyl-1,10-phenanthroline
CID 72812
1,10-Phenanthroline ferrous perchlorate
CID 84537
Eilatine
CID 149352
5-Phenyl-1,10-phenanthroline
CID 80258
1,10-Phenanthroline ferrous sulfate
CID 84567
Bis(1,10-phenanthroline)copper(2+)
CID 146186
Tris(1,10-phenanthroline)iron(2+)
CID 84602
Benzo(g)quinoline, 4,4'-(1,3-propanediyldi-4,1-piperazinediyl)bis-
CID 157284
Benzo(g)quinoline, 4,4'-(1,2-ethanediyldi-4,1-piperazinediyl)bis-
CID 3951536
6,9,12,31,34,37,51,54,58,61-Decazaundecacyclo[40.8.4.417,26.14,50.114,18.125,29.139,43.045,53.048,52.020,60.023,59]dohexaconta-1(50),2,4(55),14(62),15,17,19,21,23,25,27,29(57),39(56),40,42,44,46,48,51,53,58,60-docosaene
CID 10700612
US9981944, Example 112
CID 122478586
US9981944, Example 114
CID 122478594

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-difluorophenyl)-9-[3-[9-(3,5-difluorophenyl)-4,7-dipyridin-3-yl-1,10-phenanthrolin-2-yl]phenyl]-4,7-dipyridin-3-yl-1,10-phenanthroline?
The IUPAC name of 2-(3,5-difluorophenyl)-9-[3-[9-(3,5-difluorophenyl)-4,7-dipyridin-3-yl-1,10-phenanthrolin-2-yl]phenyl]-4,7-dipyridin-3-yl-1,10-phenanthroline (CID 152841063) is 2-(3,5-difluorophenyl)-9-[3-[9-(3,5-difluorophenyl)-4,7-dipyridin-3-yl-1,10-phenanthrolin-2-yl]phenyl]-4,7-dipyridin-3-yl-1,10-phenanthroline.
What is the SMILES notation for 2-(3,5-difluorophenyl)-9-[3-[9-(3,5-difluorophenyl)-4,7-dipyridin-3-yl-1,10-phenanthrolin-2-yl]phenyl]-4,7-dipyridin-3-yl-1,10-phenanthroline?
The canonical SMILES for 2-(3,5-difluorophenyl)-9-[3-[9-(3,5-difluorophenyl)-4,7-dipyridin-3-yl-1,10-phenanthrolin-2-yl]phenyl]-4,7-dipyridin-3-yl-1,10-phenanthroline is Fc1cc(F)cc(-c2cc(-c3cccnc3)c3ccc4c(-c5cccnc5)cc(-c5cccc(-c6cc(-c7cccnc7)c7ccc8c(-c9cccnc9)cc(-c9cc(F)cc(F)c9)nc8c7n6)c5)nc4c3n2)c1.
What is the InChIKey of 2-(3,5-difluorophenyl)-9-[3-[9-(3,5-difluorophenyl)-4,7-dipyridin-3-yl-1,10-phenanthrolin-2-yl]phenyl]-4,7-dipyridin-3-yl-1,10-phenanthroline?
The InChIKey is SYTCFINCOHGOAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C62H34F4N8/c63-43-21-41(22-44(64)25-43)57-29-53(39-10-4-18-69-33-39)49-14-12-47-51(37-8-2-16-67-31-37)27-55(71-59(47)61(49)73-57)35-6-1-7-36(20-35)56-28-52(38-9-3-17-68-32-38)48-13-15-50-54(40-11-5-19-70-34-40)30-58(74-62(50)60(48)72-56)42-23-45(65)26-46(66)24-42/h1-34H.
What are the key properties of 2-(3,5-difluorophenyl)-9-[3-[9-(3,5-difluorophenyl)-4,7-dipyridin-3-yl-1,10-phenanthrolin-2-yl]phenyl]-4,7-dipyridin-3-yl-1,10-phenanthroline?
2-(3,5-difluorophenyl)-9-[3-[9-(3,5-difluorophenyl)-4,7-dipyridin-3-yl-1,10-phenanthrolin-2-yl]phenyl]-4,7-dipyridin-3-yl-1,10-phenanthroline has a molecular weight of 967.00 g/mol, XLogP of 15.35, 8 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-difluorophenyl)-9-[3-[9-(3,5-difluorophenyl)-4,7-dipyridin-3-yl-1,10-phenanthrolin-2-yl]phenyl]-4,7-dipyridin-3-yl-1,10-phenanthroline is sourced from PubChem (CID 152841063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).