[3,5-bis[[3,5-bis[[3,5-bis(phenylmethoxy)phenyl]methoxy]phenyl]methoxy]phenyl]methanamine

C105H93NO14 — CID 101273679

IUPAC[3,5-bis[[3,5-bis[[3,5-bis(phenylmethoxy)phenyl]methoxy]phenyl]methoxy]phenyl]methanamine
SMILESNCc1cc(OCc2cc(OCc3cc(OCc4ccccc4)cc(OCc4ccccc4)c3)cc(OCc3cc(OCc4ccccc4)cc(OCc4ccccc4)c3)c2)cc(OCc2cc(OCc3cc(OCc4ccccc4)cc(OCc4ccccc4)c3)cc(OCc3cc(OCc4ccccc4)cc(OCc4ccccc4)c3)c2)c1
InChIInChI=1S/C105H93NO14/c106-62-85-41-92(115-71-90-51-102(117-73-86-43-94(107-63-77-25-9-1-10-26-77)56-95(44-86)108-64-78-27-11-2-12-28-78)60-103(52-90)118-74-87-45-96(109-65-79-29-13-3-14-30-79)57-97(46-87)110-66-80-31-15-4-16-32-80)55-93(42-85)116-72-91-53-104(119-75-88-47-98(111-67-81-33-17-5-18-34-81)58-99(48-88)112-68-82-35-19-6-20-36-82)61-105(54-91)120-76-89-49-100(113-69-83-37-21-7-22-38-83)59-101(50-89)114-70-84-39-23-8-24-40-84/h1-61H,62-76,106H2
InChIKeyVOYBROXMGWMLGF-UHFFFAOYSA-N
MW1592.89 g/mol
LogP23.25
Rot. Bonds43

About [3,5-bis[[3,5-bis[[3,5-bis(phenylmethoxy)phenyl]methoxy]phenyl]methoxy]phenyl]methanamine

[3,5-bis[[3,5-bis[[3,5-bis(phenylmethoxy)phenyl]methoxy]phenyl]methoxy]phenyl]methanamine (PubChem CID 101273679) has the molecular formula C105H93NO14 and a molecular weight of 1592.89 g/mol. Its IUPAC name is [3,5-bis[[3,5-bis[[3,5-bis(phenylmethoxy)phenyl]methoxy]phenyl]methoxy]phenyl]methanamine.

Molecular Properties

Compound Name[3,5-bis[[3,5-bis[[3,5-bis(phenylmethoxy)phenyl]methoxy]phenyl]methoxy]phenyl]methanamine
PubChem CID101273679
Molecular FormulaC105H93NO14
Molecular Weight1592.89 g/mol
Exact Mass1591.66
IUPAC Name[3,5-bis[[3,5-bis[[3,5-bis(phenylmethoxy)phenyl]methoxy]phenyl]methoxy]phenyl]methanamine
SMILESNCc1cc(OCc2cc(OCc3cc(OCc4ccccc4)cc(OCc4ccccc4)c3)cc(OCc3cc(OCc4ccccc4)cc(OCc4ccccc4)c3)c2)cc(OCc2cc(OCc3cc(OCc4ccccc4)cc(OCc4ccccc4)c3)cc(OCc3cc(OCc4ccccc4)cc(OCc4ccccc4)c3)c2)c1
InChIInChI=1S/C105H93NO14/c106-62-85-41-92(115-71-90-51-102(117-73-86-43-94(107-63-77-25-9-1-10-26-77)56-95(44-86)108-64-78-27-11-2-12-28-78)60-103(52-90)118-74-87-45-96(109-65-79-29-13-3-14-30-79)57-97(46-87)110-66-80-31-15-4-16-32-80)55-93(42-85)116-72-91-53-104(119-75-88-47-98(111-67-81-33-17-5-18-34-81)58-99(48-88)112-68-82-35-19-6-20-36-82)61-105(54-91)120-76-89-49-100(113-69-83-37-21-7-22-38-83)59-101(50-89)114-70-84-39-23-8-24-40-84/h1-61H,62-76,106H2
InChIKeyVOYBROXMGWMLGF-UHFFFAOYSA-N
XLogP23.25
TPSA155.24 Ų
H-Bond Donors1
H-Bond Acceptors15
Rotatable Bonds43
Heavy Atoms120
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001592.89
LogP ≤ 523.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1015

Analyze [3,5-bis[[3,5-bis[[3,5-bis(phenylmethoxy)phenyl]methoxy]phenyl]methoxy]phenyl]methanamine with MolForge

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Related Compounds

(3-methoxy-5-phenylmethoxyphenyl)methanamine
CID 103565951
[3,5-bis[[3,5-bis(phenylmethoxy)phenyl]methoxy]phenyl]methanol
CID 15385707
1,3-bis[[3,5-bis[[3,5-bis[[3,5-bis(phenylmethoxy)phenyl]methoxy]phenyl]methoxy]phenyl]methoxy]-5-methylbenzene
CID 102395902
1,4-bis[[3,5-bis(phenylmethoxy)phenyl]methoxy]-2,5-diiodobenzene
CID 101408465
[3,5-bis(phenylmethoxy)phenyl]methyl-diphenylphosphane
CID 11982331
1,3-bis[[3,5-bis(phenylmethoxy)phenyl]methoxy]-5-(2-methylpropyl)benzene
CID 59422757
1-iodo-3,5-bis(phenylmethoxy)benzene
CID 15389195
1,3-bis[[3,5-bis[(3,5-dichlorophenoxy)methyl]phenoxy]methyl]-5-phenylmethoxybenzene
CID 132525104
[4-(4-phenylmethoxyphenoxy)phenyl]methanamine
CID 139985270
3-[[3-[[3-[[3-(hydroxymethyl)-5-phenylmethoxyphenoxy]methyl]-5-phenylmethoxyphenoxy]methyl]-5-phenylmethoxyphenoxy]methyl]-5-phenylmethoxyphenol
CID 101175071
4-[[3,5-bis[[3,5-bis(phenylmethoxy)phenyl]methoxy]phenyl]methoxy]-2-[4-[[3,5-bis[[3,5-bis(phenylmethoxy)phenyl]methoxy]phenyl]methoxy]-2-pyridinyl]pyridine
CID 102467208
1,3-bis(phenylmethoxy)-5-(2,2,2-trifluoroethyl)benzene
CID 159571173

Frequently Asked Questions

What is the IUPAC name of [3,5-bis[[3,5-bis[[3,5-bis(phenylmethoxy)phenyl]methoxy]phenyl]methoxy]phenyl]methanamine?
The IUPAC name of [3,5-bis[[3,5-bis[[3,5-bis(phenylmethoxy)phenyl]methoxy]phenyl]methoxy]phenyl]methanamine (CID 101273679) is [3,5-bis[[3,5-bis[[3,5-bis(phenylmethoxy)phenyl]methoxy]phenyl]methoxy]phenyl]methanamine.
What is the SMILES notation for [3,5-bis[[3,5-bis[[3,5-bis(phenylmethoxy)phenyl]methoxy]phenyl]methoxy]phenyl]methanamine?
The canonical SMILES for [3,5-bis[[3,5-bis[[3,5-bis(phenylmethoxy)phenyl]methoxy]phenyl]methoxy]phenyl]methanamine is NCc1cc(OCc2cc(OCc3cc(OCc4ccccc4)cc(OCc4ccccc4)c3)cc(OCc3cc(OCc4ccccc4)cc(OCc4ccccc4)c3)c2)cc(OCc2cc(OCc3cc(OCc4ccccc4)cc(OCc4ccccc4)c3)cc(OCc3cc(OCc4ccccc4)cc(OCc4ccccc4)c3)c2)c1.
What is the InChIKey of [3,5-bis[[3,5-bis[[3,5-bis(phenylmethoxy)phenyl]methoxy]phenyl]methoxy]phenyl]methanamine?
The InChIKey is VOYBROXMGWMLGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C105H93NO14/c106-62-85-41-92(115-71-90-51-102(117-73-86-43-94(107-63-77-25-9-1-10-26-77)56-95(44-86)108-64-78-27-11-2-12-28-78)60-103(52-90)118-74-87-45-96(109-65-79-29-13-3-14-30-79)57-97(46-87)110-66-80-31-15-4-16-32-80)55-93(42-85)116-72-91-53-104(119-75-88-47-98(111-67-81-33-17-5-18-34-81)58-99(48-88)112-68-82-35-19-6-20-36-82)61-105(54-91)120-76-89-49-100(113-69-83-37-21-7-22-38-83)59-101(50-89)114-70-84-39-23-8-24-40-84/h1-61H,62-76,106H2.
What are the key properties of [3,5-bis[[3,5-bis[[3,5-bis(phenylmethoxy)phenyl]methoxy]phenyl]methoxy]phenyl]methanamine?
[3,5-bis[[3,5-bis[[3,5-bis(phenylmethoxy)phenyl]methoxy]phenyl]methoxy]phenyl]methanamine has a molecular weight of 1592.89 g/mol, XLogP of 23.25, 43 rotatable bonds, 1 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for [3,5-bis[[3,5-bis[[3,5-bis(phenylmethoxy)phenyl]methoxy]phenyl]methoxy]phenyl]methanamine is sourced from PubChem (CID 101273679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).