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

C65H46FN3O4 — CID 164717237

IUPAC3-[2-[3-[5-fluoro-2-[6-phenyl-4-(4-phenylphenyl)-3-pyridinyl]phenyl]-5-[2-(9-methyl-5-oxochromeno[4,3-b]pyridin-3-yl)ethyl]phenyl]ethyl]-9-methylchromeno[4,3-b]pyridin-5-one
SMILESCc1ccc2oc(=O)c3cc(CCc4cc(CCc5cnc6c(c5)c(=O)oc5ccc(C)cc56)cc(-c5cc(F)ccc5-c5cnc(-c6ccccc6)cc5-c5ccc(-c6ccccc6)cc5)c4)cnc3c2c1
InChIInChI=1S/C65H46FN3O4/c1-39-13-25-60-54(27-39)62-56(64(70)72-60)32-43(36-68-62)17-15-41-29-42(16-18-44-33-57-63(69-37-44)55-28-40(2)14-26-61(55)73-65(57)71)31-49(30-41)52-34-50(66)23-24-51(52)58-38-67-59(48-11-7-4-8-12-48)35-53(58)47-21-19-46(20-22-47)45-9-5-3-6-10-45/h3-14,19-38H,15-18H2,1-2H3
InChIKeySZOMOOQEQARZLO-UHFFFAOYSA-N
MW952.10 g/mol
LogP15.05
Rot. Bonds11

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

3-[2-[3-[5-fluoro-2-[6-phenyl-4-(4-phenylphenyl)-3-pyridinyl]phenyl]-5-[2-(9-methyl-5-oxochromeno[4,3-b]pyridin-3-yl)ethyl]phenyl]ethyl]-9-methylchromeno[4,3-b]pyridin-5-one (PubChem CID 164717237) has the molecular formula C65H46FN3O4 and a molecular weight of 952.10 g/mol. Its IUPAC name is 3-[2-[3-[5-fluoro-2-[6-phenyl-4-(4-phenylphenyl)-3-pyridinyl]phenyl]-5-[2-(9-methyl-5-oxochromeno[4,3-b]pyridin-3-yl)ethyl]phenyl]ethyl]-9-methylchromeno[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-(9-methyl-5-oxochromeno[4,3-b]pyridin-3-yl)ethyl]phenyl]ethyl]-9-methylchromeno[4,3-b]pyridin-5-one
PubChem CID164717237
Molecular FormulaC65H46FN3O4
Molecular Weight952.10 g/mol
Exact Mass951.35
IUPAC Name3-[2-[3-[5-fluoro-2-[6-phenyl-4-(4-phenylphenyl)-3-pyridinyl]phenyl]-5-[2-(9-methyl-5-oxochromeno[4,3-b]pyridin-3-yl)ethyl]phenyl]ethyl]-9-methylchromeno[4,3-b]pyridin-5-one
SMILESCc1ccc2oc(=O)c3cc(CCc4cc(CCc5cnc6c(c5)c(=O)oc5ccc(C)cc56)cc(-c5cc(F)ccc5-c5cnc(-c6ccccc6)cc5-c5ccc(-c6ccccc6)cc5)c4)cnc3c2c1
InChIInChI=1S/C65H46FN3O4/c1-39-13-25-60-54(27-39)62-56(64(70)72-60)32-43(36-68-62)17-15-41-29-42(16-18-44-33-57-63(69-37-44)55-28-40(2)14-26-61(55)73-65(57)71)31-49(30-41)52-34-50(66)23-24-51(52)58-38-67-59(48-11-7-4-8-12-48)35-53(58)47-21-19-46(20-22-47)45-9-5-3-6-10-45/h3-14,19-38H,15-18H2,1-2H3
InChIKeySZOMOOQEQARZLO-UHFFFAOYSA-N
XLogP15.05
TPSA99.09 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms73
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500952.10
LogP ≤ 515.05
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'}

Analyze 3-[2-[3-[5-fluoro-2-[6-phenyl-4-(4-phenylphenyl)-3-pyridinyl]phenyl]-5-[2-(9-methyl-5-oxochromeno[4,3-b]pyridin-3-yl)ethyl]phenyl]ethyl]-9-methylchromeno[4,3-b]pyridin-5-one with MolForge

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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-(9-methyl-5-oxochromeno[4,3-b]pyridin-3-yl)ethyl]phenyl]ethyl]-9-methylchromeno[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-(9-methyl-5-oxochromeno[4,3-b]pyridin-3-yl)ethyl]phenyl]ethyl]-9-methylchromeno[4,3-b]pyridin-5-one (CID 164717237) is 3-[2-[3-[5-fluoro-2-[6-phenyl-4-(4-phenylphenyl)-3-pyridinyl]phenyl]-5-[2-(9-methyl-5-oxochromeno[4,3-b]pyridin-3-yl)ethyl]phenyl]ethyl]-9-methylchromeno[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-(9-methyl-5-oxochromeno[4,3-b]pyridin-3-yl)ethyl]phenyl]ethyl]-9-methylchromeno[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-(9-methyl-5-oxochromeno[4,3-b]pyridin-3-yl)ethyl]phenyl]ethyl]-9-methylchromeno[4,3-b]pyridin-5-one is Cc1ccc2oc(=O)c3cc(CCc4cc(CCc5cnc6c(c5)c(=O)oc5ccc(C)cc56)cc(-c5cc(F)ccc5-c5cnc(-c6ccccc6)cc5-c5ccc(-c6ccccc6)cc5)c4)cnc3c2c1.
What is the InChIKey of 3-[2-[3-[5-fluoro-2-[6-phenyl-4-(4-phenylphenyl)-3-pyridinyl]phenyl]-5-[2-(9-methyl-5-oxochromeno[4,3-b]pyridin-3-yl)ethyl]phenyl]ethyl]-9-methylchromeno[4,3-b]pyridin-5-one?
The InChIKey is SZOMOOQEQARZLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C65H46FN3O4/c1-39-13-25-60-54(27-39)62-56(64(70)72-60)32-43(36-68-62)17-15-41-29-42(16-18-44-33-57-63(69-37-44)55-28-40(2)14-26-61(55)73-65(57)71)31-49(30-41)52-34-50(66)23-24-51(52)58-38-67-59(48-11-7-4-8-12-48)35-53(58)47-21-19-46(20-22-47)45-9-5-3-6-10-45/h3-14,19-38H,15-18H2,1-2H3.
What are the key properties of 3-[2-[3-[5-fluoro-2-[6-phenyl-4-(4-phenylphenyl)-3-pyridinyl]phenyl]-5-[2-(9-methyl-5-oxochromeno[4,3-b]pyridin-3-yl)ethyl]phenyl]ethyl]-9-methylchromeno[4,3-b]pyridin-5-one?
3-[2-[3-[5-fluoro-2-[6-phenyl-4-(4-phenylphenyl)-3-pyridinyl]phenyl]-5-[2-(9-methyl-5-oxochromeno[4,3-b]pyridin-3-yl)ethyl]phenyl]ethyl]-9-methylchromeno[4,3-b]pyridin-5-one has a molecular weight of 952.10 g/mol, XLogP of 15.05, 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-(9-methyl-5-oxochromeno[4,3-b]pyridin-3-yl)ethyl]phenyl]ethyl]-9-methylchromeno[4,3-b]pyridin-5-one is sourced from PubChem (CID 164717237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).