9-(4-fluoranthen-3-ylphenyl)-2-[4-(5-fluoro-3-pyridinyl)phenyl]-4-[6-[3-[9-[4-(6-fluoro-3-pyridinyl)phenyl]-1,10-phenanthrolin-2-yl]phenyl]pyren-2-yl]-1,10-phenanthroline

C90H50F2N6 — CID 134176115

IUPAC9-(4-fluoranthen-3-ylphenyl)-2-[4-(5-fluoro-3-pyridinyl)phenyl]-4-[6-[3-[9-[4-(6-fluoro-3-pyridinyl)phenyl]-1,10-phenanthrolin-2-yl]phenyl]pyren-2-yl]-1,10-phenanthroline
SMILESFc1cncc(-c2ccc(-c3cc(-c4cc5ccc6ccc(-c7cccc(-c8ccc9ccc%10ccc(-c%11ccc(-c%12ccc(F)nc%12)cc%11)nc%10c9n8)c7)c7ccc(c4)c5c67)c4ccc5ccc(-c6ccc(-c7ccc8c9c(cccc79)-c7ccccc7-8)cc6)nc5c4n3)cc2)c1
InChIInChI=1S/C90H50F2N6/c91-68-46-67(48-93-50-68)52-13-19-56(20-14-52)82-47-78(77-36-28-60-31-40-80(96-89(60)90(77)98-82)55-21-15-53(16-22-55)69-37-38-76-72-8-2-1-7-71(72)74-10-4-9-73(69)86(74)76)66-44-63-26-23-57-27-34-70(75-35-29-64(45-66)84(63)85(57)75)61-5-3-6-62(43-61)81-41-32-59-25-24-58-30-39-79(95-87(58)88(59)97-81)54-17-11-51(12-18-54)65-33-42-83(92)94-49-65/h1-50H
InChIKeyVWWAUVMPHIKQNA-UHFFFAOYSA-N
MW1253.43 g/mol
LogP23.65
Rot. Bonds9

About 9-(4-fluoranthen-3-ylphenyl)-2-[4-(5-fluoro-3-pyridinyl)phenyl]-4-[6-[3-[9-[4-(6-fluoro-3-pyridinyl)phenyl]-1,10-phenanthrolin-2-yl]phenyl]pyren-2-yl]-1,10-phenanthroline

9-(4-fluoranthen-3-ylphenyl)-2-[4-(5-fluoro-3-pyridinyl)phenyl]-4-[6-[3-[9-[4-(6-fluoro-3-pyridinyl)phenyl]-1,10-phenanthrolin-2-yl]phenyl]pyren-2-yl]-1,10-phenanthroline (PubChem CID 134176115) has the molecular formula C90H50F2N6 and a molecular weight of 1253.43 g/mol. Its IUPAC name is 9-(4-fluoranthen-3-ylphenyl)-2-[4-(5-fluoro-3-pyridinyl)phenyl]-4-[6-[3-[9-[4-(6-fluoro-3-pyridinyl)phenyl]-1,10-phenanthrolin-2-yl]phenyl]pyren-2-yl]-1,10-phenanthroline.

Molecular Properties

Compound Name9-(4-fluoranthen-3-ylphenyl)-2-[4-(5-fluoro-3-pyridinyl)phenyl]-4-[6-[3-[9-[4-(6-fluoro-3-pyridinyl)phenyl]-1,10-phenanthrolin-2-yl]phenyl]pyren-2-yl]-1,10-phenanthroline
PubChem CID134176115
Molecular FormulaC90H50F2N6
Molecular Weight1253.43 g/mol
Exact Mass1252.41
IUPAC Name9-(4-fluoranthen-3-ylphenyl)-2-[4-(5-fluoro-3-pyridinyl)phenyl]-4-[6-[3-[9-[4-(6-fluoro-3-pyridinyl)phenyl]-1,10-phenanthrolin-2-yl]phenyl]pyren-2-yl]-1,10-phenanthroline
SMILESFc1cncc(-c2ccc(-c3cc(-c4cc5ccc6ccc(-c7cccc(-c8ccc9ccc%10ccc(-c%11ccc(-c%12ccc(F)nc%12)cc%11)nc%10c9n8)c7)c7ccc(c4)c5c67)c4ccc5ccc(-c6ccc(-c7ccc8c9c(cccc79)-c7ccccc7-8)cc6)nc5c4n3)cc2)c1
InChIInChI=1S/C90H50F2N6/c91-68-46-67(48-93-50-68)52-13-19-56(20-14-52)82-47-78(77-36-28-60-31-40-80(96-89(60)90(77)98-82)55-21-15-53(16-22-55)69-37-38-76-72-8-2-1-7-71(72)74-10-4-9-73(69)86(74)76)66-44-63-26-23-57-27-34-70(75-35-29-64(45-66)84(63)85(57)75)61-5-3-6-62(43-61)81-41-32-59-25-24-58-30-39-79(95-87(58)88(59)97-81)54-17-11-51(12-18-54)65-33-42-83(92)94-49-65/h1-50H
InChIKeyVWWAUVMPHIKQNA-UHFFFAOYSA-N
XLogP23.65
TPSA77.34 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms98
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001253.43
LogP ≤ 523.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 9-(4-fluoranthen-3-ylphenyl)-2-[4-(5-fluoro-3-pyridinyl)phenyl]-4-[6-[3-[9-[4-(6-fluoro-3-pyridinyl)phenyl]-1,10-phenanthrolin-2-yl]phenyl]pyren-2-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

Frequently Asked Questions

What is the IUPAC name of 9-(4-fluoranthen-3-ylphenyl)-2-[4-(5-fluoro-3-pyridinyl)phenyl]-4-[6-[3-[9-[4-(6-fluoro-3-pyridinyl)phenyl]-1,10-phenanthrolin-2-yl]phenyl]pyren-2-yl]-1,10-phenanthroline?
The IUPAC name of 9-(4-fluoranthen-3-ylphenyl)-2-[4-(5-fluoro-3-pyridinyl)phenyl]-4-[6-[3-[9-[4-(6-fluoro-3-pyridinyl)phenyl]-1,10-phenanthrolin-2-yl]phenyl]pyren-2-yl]-1,10-phenanthroline (CID 134176115) is 9-(4-fluoranthen-3-ylphenyl)-2-[4-(5-fluoro-3-pyridinyl)phenyl]-4-[6-[3-[9-[4-(6-fluoro-3-pyridinyl)phenyl]-1,10-phenanthrolin-2-yl]phenyl]pyren-2-yl]-1,10-phenanthroline.
What is the SMILES notation for 9-(4-fluoranthen-3-ylphenyl)-2-[4-(5-fluoro-3-pyridinyl)phenyl]-4-[6-[3-[9-[4-(6-fluoro-3-pyridinyl)phenyl]-1,10-phenanthrolin-2-yl]phenyl]pyren-2-yl]-1,10-phenanthroline?
The canonical SMILES for 9-(4-fluoranthen-3-ylphenyl)-2-[4-(5-fluoro-3-pyridinyl)phenyl]-4-[6-[3-[9-[4-(6-fluoro-3-pyridinyl)phenyl]-1,10-phenanthrolin-2-yl]phenyl]pyren-2-yl]-1,10-phenanthroline is Fc1cncc(-c2ccc(-c3cc(-c4cc5ccc6ccc(-c7cccc(-c8ccc9ccc%10ccc(-c%11ccc(-c%12ccc(F)nc%12)cc%11)nc%10c9n8)c7)c7ccc(c4)c5c67)c4ccc5ccc(-c6ccc(-c7ccc8c9c(cccc79)-c7ccccc7-8)cc6)nc5c4n3)cc2)c1.
What is the InChIKey of 9-(4-fluoranthen-3-ylphenyl)-2-[4-(5-fluoro-3-pyridinyl)phenyl]-4-[6-[3-[9-[4-(6-fluoro-3-pyridinyl)phenyl]-1,10-phenanthrolin-2-yl]phenyl]pyren-2-yl]-1,10-phenanthroline?
The InChIKey is VWWAUVMPHIKQNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C90H50F2N6/c91-68-46-67(48-93-50-68)52-13-19-56(20-14-52)82-47-78(77-36-28-60-31-40-80(96-89(60)90(77)98-82)55-21-15-53(16-22-55)69-37-38-76-72-8-2-1-7-71(72)74-10-4-9-73(69)86(74)76)66-44-63-26-23-57-27-34-70(75-35-29-64(45-66)84(63)85(57)75)61-5-3-6-62(43-61)81-41-32-59-25-24-58-30-39-79(95-87(58)88(59)97-81)54-17-11-51(12-18-54)65-33-42-83(92)94-49-65/h1-50H.
What are the key properties of 9-(4-fluoranthen-3-ylphenyl)-2-[4-(5-fluoro-3-pyridinyl)phenyl]-4-[6-[3-[9-[4-(6-fluoro-3-pyridinyl)phenyl]-1,10-phenanthrolin-2-yl]phenyl]pyren-2-yl]-1,10-phenanthroline?
9-(4-fluoranthen-3-ylphenyl)-2-[4-(5-fluoro-3-pyridinyl)phenyl]-4-[6-[3-[9-[4-(6-fluoro-3-pyridinyl)phenyl]-1,10-phenanthrolin-2-yl]phenyl]pyren-2-yl]-1,10-phenanthroline has a molecular weight of 1253.43 g/mol, XLogP of 23.65, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(4-fluoranthen-3-ylphenyl)-2-[4-(5-fluoro-3-pyridinyl)phenyl]-4-[6-[3-[9-[4-(6-fluoro-3-pyridinyl)phenyl]-1,10-phenanthrolin-2-yl]phenyl]pyren-2-yl]-1,10-phenanthroline is sourced from PubChem (CID 134176115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).