9-fluoro-3-[2-[3-[2-(9-fluoro-5-oxochromeno[4,3-b]pyridin-3-yl)ethyl]-5-[2-(6-phenyl-4-triphenylen-2-yl-3-pyridinyl)phenyl]phenyl]ethyl]chromeno[4,3-b]pyridin-5-one

C69H43F2N3O4 — CID 164717234

IUPAC9-fluoro-3-[2-[3-[2-(9-fluoro-5-oxochromeno[4,3-b]pyridin-3-yl)ethyl]-5-[2-(6-phenyl-4-triphenylen-2-yl-3-pyridinyl)phenyl]phenyl]ethyl]chromeno[4,3-b]pyridin-5-one
SMILESO=c1oc2ccc(F)cc2c2ncc(CCc3cc(CCc4cnc5c(c4)c(=O)oc4ccc(F)cc45)cc(-c4ccccc4-c4cnc(-c5ccccc5)cc4-c4ccc5c6ccccc6c6ccccc6c5c4)c3)cc12
InChIInChI=1S/C69H43F2N3O4/c70-47-23-26-64-58(34-47)66-60(68(75)77-64)31-42(37-73-66)20-18-40-28-41(19-21-43-32-61-67(74-38-43)59-35-48(71)24-27-65(59)78-69(61)76)30-46(29-40)49-12-4-5-13-50(49)62-39-72-63(44-10-2-1-3-11-44)36-56(62)45-22-25-55-53-16-7-6-14-51(53)52-15-8-9-17-54(52)57(55)33-45/h1-17,22-39H,18-21H2
InChIKeyLFRSCWRVZNTXCX-UHFFFAOYSA-N
MW1016.12 g/mol
LogP16.37
Rot. Bonds10

About 9-fluoro-3-[2-[3-[2-(9-fluoro-5-oxochromeno[4,3-b]pyridin-3-yl)ethyl]-5-[2-(6-phenyl-4-triphenylen-2-yl-3-pyridinyl)phenyl]phenyl]ethyl]chromeno[4,3-b]pyridin-5-one

9-fluoro-3-[2-[3-[2-(9-fluoro-5-oxochromeno[4,3-b]pyridin-3-yl)ethyl]-5-[2-(6-phenyl-4-triphenylen-2-yl-3-pyridinyl)phenyl]phenyl]ethyl]chromeno[4,3-b]pyridin-5-one (PubChem CID 164717234) has the molecular formula C69H43F2N3O4 and a molecular weight of 1016.12 g/mol. Its IUPAC name is 9-fluoro-3-[2-[3-[2-(9-fluoro-5-oxochromeno[4,3-b]pyridin-3-yl)ethyl]-5-[2-(6-phenyl-4-triphenylen-2-yl-3-pyridinyl)phenyl]phenyl]ethyl]chromeno[4,3-b]pyridin-5-one.

Molecular Properties

Compound Name9-fluoro-3-[2-[3-[2-(9-fluoro-5-oxochromeno[4,3-b]pyridin-3-yl)ethyl]-5-[2-(6-phenyl-4-triphenylen-2-yl-3-pyridinyl)phenyl]phenyl]ethyl]chromeno[4,3-b]pyridin-5-one
PubChem CID164717234
Molecular FormulaC69H43F2N3O4
Molecular Weight1016.12 g/mol
Exact Mass1015.32
IUPAC Name9-fluoro-3-[2-[3-[2-(9-fluoro-5-oxochromeno[4,3-b]pyridin-3-yl)ethyl]-5-[2-(6-phenyl-4-triphenylen-2-yl-3-pyridinyl)phenyl]phenyl]ethyl]chromeno[4,3-b]pyridin-5-one
SMILESO=c1oc2ccc(F)cc2c2ncc(CCc3cc(CCc4cnc5c(c4)c(=O)oc4ccc(F)cc45)cc(-c4ccccc4-c4cnc(-c5ccccc5)cc4-c4ccc5c6ccccc6c6ccccc6c5c4)c3)cc12
InChIInChI=1S/C69H43F2N3O4/c70-47-23-26-64-58(34-47)66-60(68(75)77-64)31-42(37-73-66)20-18-40-28-41(19-21-43-32-61-67(74-38-43)59-35-48(71)24-27-65(59)78-69(61)76)30-46(29-40)49-12-4-5-13-50(49)62-39-72-63(44-10-2-1-3-11-44)36-56(62)45-22-25-55-53-16-7-6-14-51(53)52-15-8-9-17-54(52)57(55)33-45/h1-17,22-39H,18-21H2
InChIKeyLFRSCWRVZNTXCX-UHFFFAOYSA-N
XLogP16.37
TPSA99.09 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms78
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001016.12
LogP ≤ 516.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 9-fluoro-3-[2-[3-[2-(9-fluoro-5-oxochromeno[4,3-b]pyridin-3-yl)ethyl]-5-[2-(6-phenyl-4-triphenylen-2-yl-3-pyridinyl)phenyl]phenyl]ethyl]chromeno[4,3-b]pyridin-5-one?
The IUPAC name of 9-fluoro-3-[2-[3-[2-(9-fluoro-5-oxochromeno[4,3-b]pyridin-3-yl)ethyl]-5-[2-(6-phenyl-4-triphenylen-2-yl-3-pyridinyl)phenyl]phenyl]ethyl]chromeno[4,3-b]pyridin-5-one (CID 164717234) is 9-fluoro-3-[2-[3-[2-(9-fluoro-5-oxochromeno[4,3-b]pyridin-3-yl)ethyl]-5-[2-(6-phenyl-4-triphenylen-2-yl-3-pyridinyl)phenyl]phenyl]ethyl]chromeno[4,3-b]pyridin-5-one.
What is the SMILES notation for 9-fluoro-3-[2-[3-[2-(9-fluoro-5-oxochromeno[4,3-b]pyridin-3-yl)ethyl]-5-[2-(6-phenyl-4-triphenylen-2-yl-3-pyridinyl)phenyl]phenyl]ethyl]chromeno[4,3-b]pyridin-5-one?
The canonical SMILES for 9-fluoro-3-[2-[3-[2-(9-fluoro-5-oxochromeno[4,3-b]pyridin-3-yl)ethyl]-5-[2-(6-phenyl-4-triphenylen-2-yl-3-pyridinyl)phenyl]phenyl]ethyl]chromeno[4,3-b]pyridin-5-one is O=c1oc2ccc(F)cc2c2ncc(CCc3cc(CCc4cnc5c(c4)c(=O)oc4ccc(F)cc45)cc(-c4ccccc4-c4cnc(-c5ccccc5)cc4-c4ccc5c6ccccc6c6ccccc6c5c4)c3)cc12.
What is the InChIKey of 9-fluoro-3-[2-[3-[2-(9-fluoro-5-oxochromeno[4,3-b]pyridin-3-yl)ethyl]-5-[2-(6-phenyl-4-triphenylen-2-yl-3-pyridinyl)phenyl]phenyl]ethyl]chromeno[4,3-b]pyridin-5-one?
The InChIKey is LFRSCWRVZNTXCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C69H43F2N3O4/c70-47-23-26-64-58(34-47)66-60(68(75)77-64)31-42(37-73-66)20-18-40-28-41(19-21-43-32-61-67(74-38-43)59-35-48(71)24-27-65(59)78-69(61)76)30-46(29-40)49-12-4-5-13-50(49)62-39-72-63(44-10-2-1-3-11-44)36-56(62)45-22-25-55-53-16-7-6-14-51(53)52-15-8-9-17-54(52)57(55)33-45/h1-17,22-39H,18-21H2.
What are the key properties of 9-fluoro-3-[2-[3-[2-(9-fluoro-5-oxochromeno[4,3-b]pyridin-3-yl)ethyl]-5-[2-(6-phenyl-4-triphenylen-2-yl-3-pyridinyl)phenyl]phenyl]ethyl]chromeno[4,3-b]pyridin-5-one?
9-fluoro-3-[2-[3-[2-(9-fluoro-5-oxochromeno[4,3-b]pyridin-3-yl)ethyl]-5-[2-(6-phenyl-4-triphenylen-2-yl-3-pyridinyl)phenyl]phenyl]ethyl]chromeno[4,3-b]pyridin-5-one has a molecular weight of 1016.12 g/mol, XLogP of 16.37, 10 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 9-fluoro-3-[2-[3-[2-(9-fluoro-5-oxochromeno[4,3-b]pyridin-3-yl)ethyl]-5-[2-(6-phenyl-4-triphenylen-2-yl-3-pyridinyl)phenyl]phenyl]ethyl]chromeno[4,3-b]pyridin-5-one is sourced from PubChem (CID 164717234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).