[4-[3-[4-[6,8-bis(2,2-dimethylpropyl)naphthalen-2-yl]oxy-3-(2,2-dimethylpropyl)benzoyl]-4-[4-(4-fluorobenzoyl)phenyl]phenyl]phenyl]-(4-fluorophenyl)methanone

C64H60F2O4 — CID 58769547

IUPAC[4-[3-[4-[6,8-bis(2,2-dimethylpropyl)naphthalen-2-yl]oxy-3-(2,2-dimethylpropyl)benzoyl]-4-[4-(4-fluorobenzoyl)phenyl]phenyl]phenyl]-(4-fluorophenyl)methanone
SMILESCC(C)(C)Cc1cc(CC(C)(C)C)c2cc(Oc3ccc(C(=O)c4cc(-c5ccc(C(=O)c6ccc(F)cc6)cc5)ccc4-c4ccc(C(=O)c5ccc(F)cc5)cc4)cc3CC(C)(C)C)ccc2c1
InChIInChI=1S/C64H60F2O4/c1-62(2,3)37-40-32-48-22-29-54(36-56(48)50(33-40)38-63(4,5)6)70-58-31-24-49(34-51(58)39-64(7,8)9)61(69)57-35-47(41-10-14-43(15-11-41)59(67)45-18-25-52(65)26-19-45)23-30-55(57)42-12-16-44(17-13-42)60(68)46-20-27-53(66)28-21-46/h10-36H,37-39H2,1-9H3
InChIKeySOXLCEWFZMAZSI-UHFFFAOYSA-N
MW931.18 g/mol
LogP16.70
Rot. Bonds13

About [4-[3-[4-[6,8-bis(2,2-dimethylpropyl)naphthalen-2-yl]oxy-3-(2,2-dimethylpropyl)benzoyl]-4-[4-(4-fluorobenzoyl)phenyl]phenyl]phenyl]-(4-fluorophenyl)methanone

[4-[3-[4-[6,8-bis(2,2-dimethylpropyl)naphthalen-2-yl]oxy-3-(2,2-dimethylpropyl)benzoyl]-4-[4-(4-fluorobenzoyl)phenyl]phenyl]phenyl]-(4-fluorophenyl)methanone (PubChem CID 58769547) has the molecular formula C64H60F2O4 and a molecular weight of 931.18 g/mol. Its IUPAC name is [4-[3-[4-[6,8-bis(2,2-dimethylpropyl)naphthalen-2-yl]oxy-3-(2,2-dimethylpropyl)benzoyl]-4-[4-(4-fluorobenzoyl)phenyl]phenyl]phenyl]-(4-fluorophenyl)methanone.

Molecular Properties

Compound Name[4-[3-[4-[6,8-bis(2,2-dimethylpropyl)naphthalen-2-yl]oxy-3-(2,2-dimethylpropyl)benzoyl]-4-[4-(4-fluorobenzoyl)phenyl]phenyl]phenyl]-(4-fluorophenyl)methanone
PubChem CID58769547
Molecular FormulaC64H60F2O4
Molecular Weight931.18 g/mol
Exact Mass930.45
IUPAC Name[4-[3-[4-[6,8-bis(2,2-dimethylpropyl)naphthalen-2-yl]oxy-3-(2,2-dimethylpropyl)benzoyl]-4-[4-(4-fluorobenzoyl)phenyl]phenyl]phenyl]-(4-fluorophenyl)methanone
SMILESCC(C)(C)Cc1cc(CC(C)(C)C)c2cc(Oc3ccc(C(=O)c4cc(-c5ccc(C(=O)c6ccc(F)cc6)cc5)ccc4-c4ccc(C(=O)c5ccc(F)cc5)cc4)cc3CC(C)(C)C)ccc2c1
InChIInChI=1S/C64H60F2O4/c1-62(2,3)37-40-32-48-22-29-54(36-56(48)50(33-40)38-63(4,5)6)70-58-31-24-49(34-51(58)39-64(7,8)9)61(69)57-35-47(41-10-14-43(15-11-41)59(67)45-18-25-52(65)26-19-45)23-30-55(57)42-12-16-44(17-13-42)60(68)46-20-27-53(66)28-21-46/h10-36H,37-39H2,1-9H3
InChIKeySOXLCEWFZMAZSI-UHFFFAOYSA-N
XLogP16.70
TPSA60.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms70
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500931.18
LogP ≤ 516.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [4-[3-[4-[6,8-bis(2,2-dimethylpropyl)naphthalen-2-yl]oxy-3-(2,2-dimethylpropyl)benzoyl]-4-[4-(4-fluorobenzoyl)phenyl]phenyl]phenyl]-(4-fluorophenyl)methanone?
The IUPAC name of [4-[3-[4-[6,8-bis(2,2-dimethylpropyl)naphthalen-2-yl]oxy-3-(2,2-dimethylpropyl)benzoyl]-4-[4-(4-fluorobenzoyl)phenyl]phenyl]phenyl]-(4-fluorophenyl)methanone (CID 58769547) is [4-[3-[4-[6,8-bis(2,2-dimethylpropyl)naphthalen-2-yl]oxy-3-(2,2-dimethylpropyl)benzoyl]-4-[4-(4-fluorobenzoyl)phenyl]phenyl]phenyl]-(4-fluorophenyl)methanone.
What is the SMILES notation for [4-[3-[4-[6,8-bis(2,2-dimethylpropyl)naphthalen-2-yl]oxy-3-(2,2-dimethylpropyl)benzoyl]-4-[4-(4-fluorobenzoyl)phenyl]phenyl]phenyl]-(4-fluorophenyl)methanone?
The canonical SMILES for [4-[3-[4-[6,8-bis(2,2-dimethylpropyl)naphthalen-2-yl]oxy-3-(2,2-dimethylpropyl)benzoyl]-4-[4-(4-fluorobenzoyl)phenyl]phenyl]phenyl]-(4-fluorophenyl)methanone is CC(C)(C)Cc1cc(CC(C)(C)C)c2cc(Oc3ccc(C(=O)c4cc(-c5ccc(C(=O)c6ccc(F)cc6)cc5)ccc4-c4ccc(C(=O)c5ccc(F)cc5)cc4)cc3CC(C)(C)C)ccc2c1.
What is the InChIKey of [4-[3-[4-[6,8-bis(2,2-dimethylpropyl)naphthalen-2-yl]oxy-3-(2,2-dimethylpropyl)benzoyl]-4-[4-(4-fluorobenzoyl)phenyl]phenyl]phenyl]-(4-fluorophenyl)methanone?
The InChIKey is SOXLCEWFZMAZSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H60F2O4/c1-62(2,3)37-40-32-48-22-29-54(36-56(48)50(33-40)38-63(4,5)6)70-58-31-24-49(34-51(58)39-64(7,8)9)61(69)57-35-47(41-10-14-43(15-11-41)59(67)45-18-25-52(65)26-19-45)23-30-55(57)42-12-16-44(17-13-42)60(68)46-20-27-53(66)28-21-46/h10-36H,37-39H2,1-9H3.
What are the key properties of [4-[3-[4-[6,8-bis(2,2-dimethylpropyl)naphthalen-2-yl]oxy-3-(2,2-dimethylpropyl)benzoyl]-4-[4-(4-fluorobenzoyl)phenyl]phenyl]phenyl]-(4-fluorophenyl)methanone?
[4-[3-[4-[6,8-bis(2,2-dimethylpropyl)naphthalen-2-yl]oxy-3-(2,2-dimethylpropyl)benzoyl]-4-[4-(4-fluorobenzoyl)phenyl]phenyl]phenyl]-(4-fluorophenyl)methanone has a molecular weight of 931.18 g/mol, XLogP of 16.70, 13 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[3-[4-[6,8-bis(2,2-dimethylpropyl)naphthalen-2-yl]oxy-3-(2,2-dimethylpropyl)benzoyl]-4-[4-(4-fluorobenzoyl)phenyl]phenyl]phenyl]-(4-fluorophenyl)methanone is sourced from PubChem (CID 58769547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).