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

C63H42FN3O4 — CID 164717201

IUPAC3-[2-[3-[5-fluoro-2-[6-phenyl-4-(4-phenylphenyl)-3-pyridinyl]phenyl]-5-[2-(5-oxochromeno[4,3-b]pyridin-3-yl)ethyl]phenyl]ethyl]chromeno[4,3-b]pyridin-5-one
SMILESO=c1oc2ccccc2c2ncc(CCc3cc(CCc4cnc5c(c4)c(=O)oc4ccccc45)cc(-c4cc(F)ccc4-c4cnc(-c5ccccc5)cc4-c4ccc(-c5ccccc5)cc4)c3)cc12
InChIInChI=1S/C63H42FN3O4/c64-48-27-28-49(56-38-65-57(46-13-5-2-6-14-46)35-53(56)45-25-23-44(24-26-45)43-11-3-1-4-12-43)52(34-48)47-30-39(19-21-41-32-54-60(66-36-41)50-15-7-9-17-58(50)70-62(54)68)29-40(31-47)20-22-42-33-55-61(67-37-42)51-16-8-10-18-59(51)71-63(55)69/h1-18,23-38H,19-22H2
InChIKeyWWFJPGVZRNVIQA-UHFFFAOYSA-N
MW924.04 g/mol
LogP14.44
Rot. Bonds11

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

3-[2-[3-[5-fluoro-2-[6-phenyl-4-(4-phenylphenyl)-3-pyridinyl]phenyl]-5-[2-(5-oxochromeno[4,3-b]pyridin-3-yl)ethyl]phenyl]ethyl]chromeno[4,3-b]pyridin-5-one (PubChem CID 164717201) has the molecular formula C63H42FN3O4 and a molecular weight of 924.04 g/mol. Its IUPAC name is 3-[2-[3-[5-fluoro-2-[6-phenyl-4-(4-phenylphenyl)-3-pyridinyl]phenyl]-5-[2-(5-oxochromeno[4,3-b]pyridin-3-yl)ethyl]phenyl]ethyl]chromeno[4,3-b]pyridin-5-one.

Molecular Properties

Compound Name3-[2-[3-[5-fluoro-2-[6-phenyl-4-(4-phenylphenyl)-3-pyridinyl]phenyl]-5-[2-(5-oxochromeno[4,3-b]pyridin-3-yl)ethyl]phenyl]ethyl]chromeno[4,3-b]pyridin-5-one
PubChem CID164717201
Molecular FormulaC63H42FN3O4
Molecular Weight924.04 g/mol
Exact Mass923.32
IUPAC Name3-[2-[3-[5-fluoro-2-[6-phenyl-4-(4-phenylphenyl)-3-pyridinyl]phenyl]-5-[2-(5-oxochromeno[4,3-b]pyridin-3-yl)ethyl]phenyl]ethyl]chromeno[4,3-b]pyridin-5-one
SMILESO=c1oc2ccccc2c2ncc(CCc3cc(CCc4cnc5c(c4)c(=O)oc4ccccc45)cc(-c4cc(F)ccc4-c4cnc(-c5ccccc5)cc4-c4ccc(-c5ccccc5)cc4)c3)cc12
InChIInChI=1S/C63H42FN3O4/c64-48-27-28-49(56-38-65-57(46-13-5-2-6-14-46)35-53(56)45-25-23-44(24-26-45)43-11-3-1-4-12-43)52(34-48)47-30-39(19-21-41-32-54-60(66-36-41)50-15-7-9-17-58(50)70-62(54)68)29-40(31-47)20-22-42-33-55-61(67-37-42)51-16-8-10-18-59(51)71-63(55)69/h1-18,23-38H,19-22H2
InChIKeyWWFJPGVZRNVIQA-UHFFFAOYSA-N
XLogP14.44
TPSA99.09 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms71
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500924.04
LogP ≤ 514.44
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 3-[2-[3-[5-fluoro-2-[6-phenyl-4-(4-phenylphenyl)-3-pyridinyl]phenyl]-5-[2-(5-oxochromeno[4,3-b]pyridin-3-yl)ethyl]phenyl]ethyl]chromeno[4,3-b]pyridin-5-one?
The IUPAC name of 3-[2-[3-[5-fluoro-2-[6-phenyl-4-(4-phenylphenyl)-3-pyridinyl]phenyl]-5-[2-(5-oxochromeno[4,3-b]pyridin-3-yl)ethyl]phenyl]ethyl]chromeno[4,3-b]pyridin-5-one (CID 164717201) is 3-[2-[3-[5-fluoro-2-[6-phenyl-4-(4-phenylphenyl)-3-pyridinyl]phenyl]-5-[2-(5-oxochromeno[4,3-b]pyridin-3-yl)ethyl]phenyl]ethyl]chromeno[4,3-b]pyridin-5-one.
What is the SMILES notation for 3-[2-[3-[5-fluoro-2-[6-phenyl-4-(4-phenylphenyl)-3-pyridinyl]phenyl]-5-[2-(5-oxochromeno[4,3-b]pyridin-3-yl)ethyl]phenyl]ethyl]chromeno[4,3-b]pyridin-5-one?
The canonical SMILES for 3-[2-[3-[5-fluoro-2-[6-phenyl-4-(4-phenylphenyl)-3-pyridinyl]phenyl]-5-[2-(5-oxochromeno[4,3-b]pyridin-3-yl)ethyl]phenyl]ethyl]chromeno[4,3-b]pyridin-5-one is O=c1oc2ccccc2c2ncc(CCc3cc(CCc4cnc5c(c4)c(=O)oc4ccccc45)cc(-c4cc(F)ccc4-c4cnc(-c5ccccc5)cc4-c4ccc(-c5ccccc5)cc4)c3)cc12.
What is the InChIKey of 3-[2-[3-[5-fluoro-2-[6-phenyl-4-(4-phenylphenyl)-3-pyridinyl]phenyl]-5-[2-(5-oxochromeno[4,3-b]pyridin-3-yl)ethyl]phenyl]ethyl]chromeno[4,3-b]pyridin-5-one?
The InChIKey is WWFJPGVZRNVIQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C63H42FN3O4/c64-48-27-28-49(56-38-65-57(46-13-5-2-6-14-46)35-53(56)45-25-23-44(24-26-45)43-11-3-1-4-12-43)52(34-48)47-30-39(19-21-41-32-54-60(66-36-41)50-15-7-9-17-58(50)70-62(54)68)29-40(31-47)20-22-42-33-55-61(67-37-42)51-16-8-10-18-59(51)71-63(55)69/h1-18,23-38H,19-22H2.
What are the key properties of 3-[2-[3-[5-fluoro-2-[6-phenyl-4-(4-phenylphenyl)-3-pyridinyl]phenyl]-5-[2-(5-oxochromeno[4,3-b]pyridin-3-yl)ethyl]phenyl]ethyl]chromeno[4,3-b]pyridin-5-one?
3-[2-[3-[5-fluoro-2-[6-phenyl-4-(4-phenylphenyl)-3-pyridinyl]phenyl]-5-[2-(5-oxochromeno[4,3-b]pyridin-3-yl)ethyl]phenyl]ethyl]chromeno[4,3-b]pyridin-5-one has a molecular weight of 924.04 g/mol, XLogP of 14.44, 11 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[3-[5-fluoro-2-[6-phenyl-4-(4-phenylphenyl)-3-pyridinyl]phenyl]-5-[2-(5-oxochromeno[4,3-b]pyridin-3-yl)ethyl]phenyl]ethyl]chromeno[4,3-b]pyridin-5-one is sourced from PubChem (CID 164717201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).