3-[[4-[[4-[[2-fluoro-4-[[1-[3-[[3-fluoro-4-[[4-[[4-(oxetan-3-ylmethyl)phenyl]methyl]phenyl]methyl]phenyl]methyl]-6-methylnaphthalen-1-yl]-6-methylnaphthalen-2-yl]methyl]phenyl]methyl]phenyl]methyl]phenyl]methyl]oxetane

C72H64F2O2 — CID 59770690

IUPAC3-[[4-[[4-[[2-fluoro-4-[[1-[3-[[3-fluoro-4-[[4-[[4-(oxetan-3-ylmethyl)phenyl]methyl]phenyl]methyl]phenyl]methyl]-6-methylnaphthalen-1-yl]-6-methylnaphthalen-2-yl]methyl]phenyl]methyl]phenyl]methyl]phenyl]methyl]oxetane
SMILESCc1ccc2c(-c3c(Cc4ccc(Cc5ccc(Cc6ccc(CC7COC7)cc6)cc5)c(F)c4)ccc4cc(C)ccc34)cc(Cc3ccc(Cc4ccc(Cc5ccc(CC6COC6)cc5)cc4)c(F)c3)cc2c1
InChIInChI=1S/C72H64F2O2/c1-47-4-28-68-62(29-47)25-26-65(38-58-22-24-64(71(74)42-58)37-56-19-15-52(16-20-56)32-50-7-11-54(12-8-50)34-61-45-76-46-61)72(68)69-40-59(39-66-30-48(2)3-27-67(66)69)35-57-21-23-63(70(73)41-57)36-55-17-13-51(14-18-55)31-49-5-9-53(10-6-49)33-60-43-75-44-60/h3-30,39-42,60-61H,31-38,43-46H2,1-2H3
InChIKeyXXNNWNCXRSQBAL-UHFFFAOYSA-N
MW999.30 g/mol
LogP16.48
Rot. Bonds17

About 3-[[4-[[4-[[2-fluoro-4-[[1-[3-[[3-fluoro-4-[[4-[[4-(oxetan-3-ylmethyl)phenyl]methyl]phenyl]methyl]phenyl]methyl]-6-methylnaphthalen-1-yl]-6-methylnaphthalen-2-yl]methyl]phenyl]methyl]phenyl]methyl]phenyl]methyl]oxetane

3-[[4-[[4-[[2-fluoro-4-[[1-[3-[[3-fluoro-4-[[4-[[4-(oxetan-3-ylmethyl)phenyl]methyl]phenyl]methyl]phenyl]methyl]-6-methylnaphthalen-1-yl]-6-methylnaphthalen-2-yl]methyl]phenyl]methyl]phenyl]methyl]phenyl]methyl]oxetane (PubChem CID 59770690) has the molecular formula C72H64F2O2 and a molecular weight of 999.30 g/mol. Its IUPAC name is 3-[[4-[[4-[[2-fluoro-4-[[1-[3-[[3-fluoro-4-[[4-[[4-(oxetan-3-ylmethyl)phenyl]methyl]phenyl]methyl]phenyl]methyl]-6-methylnaphthalen-1-yl]-6-methylnaphthalen-2-yl]methyl]phenyl]methyl]phenyl]methyl]phenyl]methyl]oxetane.

Molecular Properties

Compound Name3-[[4-[[4-[[2-fluoro-4-[[1-[3-[[3-fluoro-4-[[4-[[4-(oxetan-3-ylmethyl)phenyl]methyl]phenyl]methyl]phenyl]methyl]-6-methylnaphthalen-1-yl]-6-methylnaphthalen-2-yl]methyl]phenyl]methyl]phenyl]methyl]phenyl]methyl]oxetane
PubChem CID59770690
Molecular FormulaC72H64F2O2
Molecular Weight999.30 g/mol
Exact Mass998.49
IUPAC Name3-[[4-[[4-[[2-fluoro-4-[[1-[3-[[3-fluoro-4-[[4-[[4-(oxetan-3-ylmethyl)phenyl]methyl]phenyl]methyl]phenyl]methyl]-6-methylnaphthalen-1-yl]-6-methylnaphthalen-2-yl]methyl]phenyl]methyl]phenyl]methyl]phenyl]methyl]oxetane
SMILESCc1ccc2c(-c3c(Cc4ccc(Cc5ccc(Cc6ccc(CC7COC7)cc6)cc5)c(F)c4)ccc4cc(C)ccc34)cc(Cc3ccc(Cc4ccc(Cc5ccc(CC6COC6)cc5)cc4)c(F)c3)cc2c1
InChIInChI=1S/C72H64F2O2/c1-47-4-28-68-62(29-47)25-26-65(38-58-22-24-64(71(74)42-58)37-56-19-15-52(16-20-56)32-50-7-11-54(12-8-50)34-61-45-76-46-61)72(68)69-40-59(39-66-30-48(2)3-27-67(66)69)35-57-21-23-63(70(73)41-57)36-55-17-13-51(14-18-55)31-49-5-9-53(10-6-49)33-60-43-75-44-60/h3-30,39-42,60-61H,31-38,43-46H2,1-2H3
InChIKeyXXNNWNCXRSQBAL-UHFFFAOYSA-N
XLogP16.48
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds17
Heavy Atoms76
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500999.30
LogP ≤ 516.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 3-[[4-[[4-[[2-fluoro-4-[[1-[3-[[3-fluoro-4-[[4-[[4-(oxetan-3-ylmethyl)phenyl]methyl]phenyl]methyl]phenyl]methyl]-6-methylnaphthalen-1-yl]-6-methylnaphthalen-2-yl]methyl]phenyl]methyl]phenyl]methyl]phenyl]methyl]oxetane with MolForge

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Related Compounds

5-(Naphthalen-2-yl)-6-(4-(trifluoromethyl)phenyl)-2-oxaspiro[3.3]heptane
CID 172635857
6-(4-Fluorophenyl)-5-(naphthalen-2-yl)-2-oxaspiro[3.3]heptane
CID 172635859
6-(3-Fluorophenyl)-5-(naphthalen-2-yl)-2-oxaspiro[3.3]heptane
CID 172635860
6-(2-Fluorophenyl)-5-(naphthalen-2-yl)-2-oxaspiro[3.3]heptane
CID 172635861
3,3-Dimethyl-1-[13-(2,3,4,5,6-pentafluorophenyl)-10,16-diphenyl-13-boranuidapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaen-13-yl]oxetan-1-ium
CID 139111768
5-(Naphthalen-2-yl)-6,6-diphenyl-2-oxaspiro[3.3]heptane
CID 172635866
2-Fluoro-6-[4-(methoxymethyl)cyclohexyl]naphthalene
CID 21871379
1-(2-Fluorophenyl)-4-[4-(methoxymethyl)cyclohexyl]-2-(4-methylphenyl)benzene
CID 53816530
1,4-Difluoro-2-[4-[4-(methoxymethyl)cyclohexyl]-2-(4-methylphenyl)phenyl]benzene
CID 54116623
1-Fluoro-3,5-bis[4-[2-(4-octoxycyclohexyl)ethyl]phenyl]benzene
CID 58085024
5-Fluoro-2-[4-(4-propoxybutyl)cyclohexyl]-6-(3,4,5-trifluorophenyl)-1,2,3,4-tetrahydronaphthalene
CID 58839578
5-Fluoro-2-[4-(propoxymethyl)cyclohexyl]-6-(3,4,5-trifluorophenyl)-1,2,3,4-tetrahydronaphthalene
CID 58839699

Frequently Asked Questions

What is the IUPAC name of 3-[[4-[[4-[[2-fluoro-4-[[1-[3-[[3-fluoro-4-[[4-[[4-(oxetan-3-ylmethyl)phenyl]methyl]phenyl]methyl]phenyl]methyl]-6-methylnaphthalen-1-yl]-6-methylnaphthalen-2-yl]methyl]phenyl]methyl]phenyl]methyl]phenyl]methyl]oxetane?
The IUPAC name of 3-[[4-[[4-[[2-fluoro-4-[[1-[3-[[3-fluoro-4-[[4-[[4-(oxetan-3-ylmethyl)phenyl]methyl]phenyl]methyl]phenyl]methyl]-6-methylnaphthalen-1-yl]-6-methylnaphthalen-2-yl]methyl]phenyl]methyl]phenyl]methyl]phenyl]methyl]oxetane (CID 59770690) is 3-[[4-[[4-[[2-fluoro-4-[[1-[3-[[3-fluoro-4-[[4-[[4-(oxetan-3-ylmethyl)phenyl]methyl]phenyl]methyl]phenyl]methyl]-6-methylnaphthalen-1-yl]-6-methylnaphthalen-2-yl]methyl]phenyl]methyl]phenyl]methyl]phenyl]methyl]oxetane.
What is the SMILES notation for 3-[[4-[[4-[[2-fluoro-4-[[1-[3-[[3-fluoro-4-[[4-[[4-(oxetan-3-ylmethyl)phenyl]methyl]phenyl]methyl]phenyl]methyl]-6-methylnaphthalen-1-yl]-6-methylnaphthalen-2-yl]methyl]phenyl]methyl]phenyl]methyl]phenyl]methyl]oxetane?
The canonical SMILES for 3-[[4-[[4-[[2-fluoro-4-[[1-[3-[[3-fluoro-4-[[4-[[4-(oxetan-3-ylmethyl)phenyl]methyl]phenyl]methyl]phenyl]methyl]-6-methylnaphthalen-1-yl]-6-methylnaphthalen-2-yl]methyl]phenyl]methyl]phenyl]methyl]phenyl]methyl]oxetane is Cc1ccc2c(-c3c(Cc4ccc(Cc5ccc(Cc6ccc(CC7COC7)cc6)cc5)c(F)c4)ccc4cc(C)ccc34)cc(Cc3ccc(Cc4ccc(Cc5ccc(CC6COC6)cc5)cc4)c(F)c3)cc2c1.
What is the InChIKey of 3-[[4-[[4-[[2-fluoro-4-[[1-[3-[[3-fluoro-4-[[4-[[4-(oxetan-3-ylmethyl)phenyl]methyl]phenyl]methyl]phenyl]methyl]-6-methylnaphthalen-1-yl]-6-methylnaphthalen-2-yl]methyl]phenyl]methyl]phenyl]methyl]phenyl]methyl]oxetane?
The InChIKey is XXNNWNCXRSQBAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C72H64F2O2/c1-47-4-28-68-62(29-47)25-26-65(38-58-22-24-64(71(74)42-58)37-56-19-15-52(16-20-56)32-50-7-11-54(12-8-50)34-61-45-76-46-61)72(68)69-40-59(39-66-30-48(2)3-27-67(66)69)35-57-21-23-63(70(73)41-57)36-55-17-13-51(14-18-55)31-49-5-9-53(10-6-49)33-60-43-75-44-60/h3-30,39-42,60-61H,31-38,43-46H2,1-2H3.
What are the key properties of 3-[[4-[[4-[[2-fluoro-4-[[1-[3-[[3-fluoro-4-[[4-[[4-(oxetan-3-ylmethyl)phenyl]methyl]phenyl]methyl]phenyl]methyl]-6-methylnaphthalen-1-yl]-6-methylnaphthalen-2-yl]methyl]phenyl]methyl]phenyl]methyl]phenyl]methyl]oxetane?
3-[[4-[[4-[[2-fluoro-4-[[1-[3-[[3-fluoro-4-[[4-[[4-(oxetan-3-ylmethyl)phenyl]methyl]phenyl]methyl]phenyl]methyl]-6-methylnaphthalen-1-yl]-6-methylnaphthalen-2-yl]methyl]phenyl]methyl]phenyl]methyl]phenyl]methyl]oxetane has a molecular weight of 999.30 g/mol, XLogP of 16.48, 17 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-[[4-[[2-fluoro-4-[[1-[3-[[3-fluoro-4-[[4-[[4-(oxetan-3-ylmethyl)phenyl]methyl]phenyl]methyl]phenyl]methyl]-6-methylnaphthalen-1-yl]-6-methylnaphthalen-2-yl]methyl]phenyl]methyl]phenyl]methyl]phenyl]methyl]oxetane is sourced from PubChem (CID 59770690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).