[1-[2-[bis(3,5-diethyl-4-fluorophenyl)-hydroxymethyl]-5,6,7,8-tetrahydronaphthalen-1-yl]-5,6,7,8-tetrahydronaphthalen-2-yl]-bis(3,5-diethyl-4-fluorophenyl)methanol

C62H70F4O2 — CID 102215020

IUPAC[1-[2-[bis(3,5-diethyl-4-fluorophenyl)-hydroxymethyl]-5,6,7,8-tetrahydronaphthalen-1-yl]-5,6,7,8-tetrahydronaphthalen-2-yl]-bis(3,5-diethyl-4-fluorophenyl)methanol
SMILESCCc1cc(C(O)(c2cc(CC)c(F)c(CC)c2)c2ccc3c(c2-c2c(C(O)(c4cc(CC)c(F)c(CC)c4)c4cc(CC)c(F)c(CC)c4)ccc4c2CCCC4)CCCC3)cc(CC)c1F
InChIInChI=1S/C62H70F4O2/c1-9-37-29-47(30-38(10-2)57(37)63)61(67,48-31-39(11-3)58(64)40(12-4)32-48)53-27-25-45-21-17-19-23-51(45)55(53)56-52-24-20-18-22-46(52)26-28-54(56)62(68,49-33-41(13-5)59(65)42(14-6)34-49)50-35-43(15-7)60(66)44(16-8)36-50/h25-36,67-68H,9-24H2,1-8H3
InChIKeyLZGGCBYBRKEQND-UHFFFAOYSA-N
MW923.23 g/mol
LogP14.74
Rot. Bonds15

About [1-[2-[bis(3,5-diethyl-4-fluorophenyl)-hydroxymethyl]-5,6,7,8-tetrahydronaphthalen-1-yl]-5,6,7,8-tetrahydronaphthalen-2-yl]-bis(3,5-diethyl-4-fluorophenyl)methanol

[1-[2-[bis(3,5-diethyl-4-fluorophenyl)-hydroxymethyl]-5,6,7,8-tetrahydronaphthalen-1-yl]-5,6,7,8-tetrahydronaphthalen-2-yl]-bis(3,5-diethyl-4-fluorophenyl)methanol (PubChem CID 102215020) has the molecular formula C62H70F4O2 and a molecular weight of 923.23 g/mol. Its IUPAC name is [1-[2-[bis(3,5-diethyl-4-fluorophenyl)-hydroxymethyl]-5,6,7,8-tetrahydronaphthalen-1-yl]-5,6,7,8-tetrahydronaphthalen-2-yl]-bis(3,5-diethyl-4-fluorophenyl)methanol.

Molecular Properties

Compound Name[1-[2-[bis(3,5-diethyl-4-fluorophenyl)-hydroxymethyl]-5,6,7,8-tetrahydronaphthalen-1-yl]-5,6,7,8-tetrahydronaphthalen-2-yl]-bis(3,5-diethyl-4-fluorophenyl)methanol
PubChem CID102215020
Molecular FormulaC62H70F4O2
Molecular Weight923.23 g/mol
Exact Mass922.53
IUPAC Name[1-[2-[bis(3,5-diethyl-4-fluorophenyl)-hydroxymethyl]-5,6,7,8-tetrahydronaphthalen-1-yl]-5,6,7,8-tetrahydronaphthalen-2-yl]-bis(3,5-diethyl-4-fluorophenyl)methanol
SMILESCCc1cc(C(O)(c2cc(CC)c(F)c(CC)c2)c2ccc3c(c2-c2c(C(O)(c4cc(CC)c(F)c(CC)c4)c4cc(CC)c(F)c(CC)c4)ccc4c2CCCC4)CCCC3)cc(CC)c1F
InChIInChI=1S/C62H70F4O2/c1-9-37-29-47(30-38(10-2)57(37)63)61(67,48-31-39(11-3)58(64)40(12-4)32-48)53-27-25-45-21-17-19-23-51(45)55(53)56-52-24-20-18-22-46(52)26-28-54(56)62(68,49-33-41(13-5)59(65)42(14-6)34-49)50-35-43(15-7)60(66)44(16-8)36-50/h25-36,67-68H,9-24H2,1-8H3
InChIKeyLZGGCBYBRKEQND-UHFFFAOYSA-N
XLogP14.74
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds15
Heavy Atoms68
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500923.23
LogP ≤ 514.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

Analyze [1-[2-[bis(3,5-diethyl-4-fluorophenyl)-hydroxymethyl]-5,6,7,8-tetrahydronaphthalen-1-yl]-5,6,7,8-tetrahydronaphthalen-2-yl]-bis(3,5-diethyl-4-fluorophenyl)methanol with MolForge

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Related Compounds

CID 11285
CID 11285
CID 30544
CID 30544
CID 238209
CID 238209
CID 11284
CID 11284
CID 149704
CID 149704
CID 336494
CID 336494
CID 94976
CID 94976
CID 114983
CID 114983
CID 17375
CID 17375
CID 164496
CID 164496
CID 95956
CID 95956
CID 185558
CID 185558

Frequently Asked Questions

What is the IUPAC name of [1-[2-[bis(3,5-diethyl-4-fluorophenyl)-hydroxymethyl]-5,6,7,8-tetrahydronaphthalen-1-yl]-5,6,7,8-tetrahydronaphthalen-2-yl]-bis(3,5-diethyl-4-fluorophenyl)methanol?
The IUPAC name of [1-[2-[bis(3,5-diethyl-4-fluorophenyl)-hydroxymethyl]-5,6,7,8-tetrahydronaphthalen-1-yl]-5,6,7,8-tetrahydronaphthalen-2-yl]-bis(3,5-diethyl-4-fluorophenyl)methanol (CID 102215020) is [1-[2-[bis(3,5-diethyl-4-fluorophenyl)-hydroxymethyl]-5,6,7,8-tetrahydronaphthalen-1-yl]-5,6,7,8-tetrahydronaphthalen-2-yl]-bis(3,5-diethyl-4-fluorophenyl)methanol.
What is the SMILES notation for [1-[2-[bis(3,5-diethyl-4-fluorophenyl)-hydroxymethyl]-5,6,7,8-tetrahydronaphthalen-1-yl]-5,6,7,8-tetrahydronaphthalen-2-yl]-bis(3,5-diethyl-4-fluorophenyl)methanol?
The canonical SMILES for [1-[2-[bis(3,5-diethyl-4-fluorophenyl)-hydroxymethyl]-5,6,7,8-tetrahydronaphthalen-1-yl]-5,6,7,8-tetrahydronaphthalen-2-yl]-bis(3,5-diethyl-4-fluorophenyl)methanol is CCc1cc(C(O)(c2cc(CC)c(F)c(CC)c2)c2ccc3c(c2-c2c(C(O)(c4cc(CC)c(F)c(CC)c4)c4cc(CC)c(F)c(CC)c4)ccc4c2CCCC4)CCCC3)cc(CC)c1F.
What is the InChIKey of [1-[2-[bis(3,5-diethyl-4-fluorophenyl)-hydroxymethyl]-5,6,7,8-tetrahydronaphthalen-1-yl]-5,6,7,8-tetrahydronaphthalen-2-yl]-bis(3,5-diethyl-4-fluorophenyl)methanol?
The InChIKey is LZGGCBYBRKEQND-UHFFFAOYSA-N. The full InChI is InChI=1S/C62H70F4O2/c1-9-37-29-47(30-38(10-2)57(37)63)61(67,48-31-39(11-3)58(64)40(12-4)32-48)53-27-25-45-21-17-19-23-51(45)55(53)56-52-24-20-18-22-46(52)26-28-54(56)62(68,49-33-41(13-5)59(65)42(14-6)34-49)50-35-43(15-7)60(66)44(16-8)36-50/h25-36,67-68H,9-24H2,1-8H3.
What are the key properties of [1-[2-[bis(3,5-diethyl-4-fluorophenyl)-hydroxymethyl]-5,6,7,8-tetrahydronaphthalen-1-yl]-5,6,7,8-tetrahydronaphthalen-2-yl]-bis(3,5-diethyl-4-fluorophenyl)methanol?
[1-[2-[bis(3,5-diethyl-4-fluorophenyl)-hydroxymethyl]-5,6,7,8-tetrahydronaphthalen-1-yl]-5,6,7,8-tetrahydronaphthalen-2-yl]-bis(3,5-diethyl-4-fluorophenyl)methanol has a molecular weight of 923.23 g/mol, XLogP of 14.74, 15 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[2-[bis(3,5-diethyl-4-fluorophenyl)-hydroxymethyl]-5,6,7,8-tetrahydronaphthalen-1-yl]-5,6,7,8-tetrahydronaphthalen-2-yl]-bis(3,5-diethyl-4-fluorophenyl)methanol is sourced from PubChem (CID 102215020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).