trinaphthalen-1-yl-[[4-[[4-(trinaphthalen-1-ylphosphaniumylmethyl)phenyl]methyl]phenyl]methyl]phosphanium dibromide

C75H56Br2P2 — CID 57341285

IUPACtrinaphthalen-1-yl-[[4-[[4-(trinaphthalen-1-ylphosphaniumylmethyl)phenyl]methyl]phenyl]methyl]phosphanium dibromide
SMILES[Br-].[Br-].c1ccc2c([P+](Cc3ccc(Cc4ccc(C[P+](c5cccc6ccccc56)(c5cccc6ccccc56)c5cccc6ccccc56)cc4)cc3)(c3cccc4ccccc34)c3cccc4ccccc34)cccc2c1
InChIInChI=1S/C75H56P2.2BrH/c1-7-31-64-58(19-1)25-13-37-70(64)76(71-38-14-26-59-20-2-8-32-65(59)71,72-39-15-27-60-21-3-9-33-66(60)72)52-56-47-43-54(44-48-56)51-55-45-49-57(50-46-55)53-77(73-40-16-28-61-22-4-10-34-67(61)73,74-41-17-29-62-23-5-11-35-68(62)74)75-42-18-30-63-24-6-12-36-69(63)75;;/h1-50H,51-53H2;2*1H/q+2;;/p-2
InChIKeyDCARYUNPVLAIQP-UHFFFAOYSA-L
MW1179.03 g/mol
LogP11.19
Rot. Bonds12

About trinaphthalen-1-yl-[[4-[[4-(trinaphthalen-1-ylphosphaniumylmethyl)phenyl]methyl]phenyl]methyl]phosphanium dibromide

trinaphthalen-1-yl-[[4-[[4-(trinaphthalen-1-ylphosphaniumylmethyl)phenyl]methyl]phenyl]methyl]phosphanium dibromide (PubChem CID 57341285) has the molecular formula C75H56Br2P2 and a molecular weight of 1179.03 g/mol. Its IUPAC name is trinaphthalen-1-yl-[[4-[[4-(trinaphthalen-1-ylphosphaniumylmethyl)phenyl]methyl]phenyl]methyl]phosphanium dibromide.

Molecular Properties

Compound Nametrinaphthalen-1-yl-[[4-[[4-(trinaphthalen-1-ylphosphaniumylmethyl)phenyl]methyl]phenyl]methyl]phosphanium dibromide
PubChem CID57341285
Molecular FormulaC75H56Br2P2
Molecular Weight1179.03 g/mol
Exact Mass1176.22
IUPAC Nametrinaphthalen-1-yl-[[4-[[4-(trinaphthalen-1-ylphosphaniumylmethyl)phenyl]methyl]phenyl]methyl]phosphanium dibromide
SMILES[Br-].[Br-].c1ccc2c([P+](Cc3ccc(Cc4ccc(C[P+](c5cccc6ccccc56)(c5cccc6ccccc56)c5cccc6ccccc56)cc4)cc3)(c3cccc4ccccc34)c3cccc4ccccc34)cccc2c1
InChIInChI=1S/C75H56P2.2BrH/c1-7-31-64-58(19-1)25-13-37-70(64)76(71-38-14-26-59-20-2-8-32-65(59)71,72-39-15-27-60-21-3-9-33-66(60)72)52-56-47-43-54(44-48-56)51-55-45-49-57(50-46-55)53-77(73-40-16-28-61-22-4-10-34-67(61)73,74-41-17-29-62-23-5-11-35-68(62)74)75-42-18-30-63-24-6-12-36-69(63)75;;/h1-50H,51-53H2;2*1H/q+2;;/p-2
InChIKeyDCARYUNPVLAIQP-UHFFFAOYSA-L
XLogP11.19
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds12
Heavy Atoms79
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001179.03
LogP ≤ 511.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of trinaphthalen-1-yl-[[4-[[4-(trinaphthalen-1-ylphosphaniumylmethyl)phenyl]methyl]phenyl]methyl]phosphanium dibromide?
The IUPAC name of trinaphthalen-1-yl-[[4-[[4-(trinaphthalen-1-ylphosphaniumylmethyl)phenyl]methyl]phenyl]methyl]phosphanium dibromide (CID 57341285) is trinaphthalen-1-yl-[[4-[[4-(trinaphthalen-1-ylphosphaniumylmethyl)phenyl]methyl]phenyl]methyl]phosphanium dibromide.
What is the SMILES notation for trinaphthalen-1-yl-[[4-[[4-(trinaphthalen-1-ylphosphaniumylmethyl)phenyl]methyl]phenyl]methyl]phosphanium dibromide?
The canonical SMILES for trinaphthalen-1-yl-[[4-[[4-(trinaphthalen-1-ylphosphaniumylmethyl)phenyl]methyl]phenyl]methyl]phosphanium dibromide is [Br-].[Br-].c1ccc2c([P+](Cc3ccc(Cc4ccc(C[P+](c5cccc6ccccc56)(c5cccc6ccccc56)c5cccc6ccccc56)cc4)cc3)(c3cccc4ccccc34)c3cccc4ccccc34)cccc2c1.
What is the InChIKey of trinaphthalen-1-yl-[[4-[[4-(trinaphthalen-1-ylphosphaniumylmethyl)phenyl]methyl]phenyl]methyl]phosphanium dibromide?
The InChIKey is DCARYUNPVLAIQP-UHFFFAOYSA-L. The full InChI is InChI=1S/C75H56P2.2BrH/c1-7-31-64-58(19-1)25-13-37-70(64)76(71-38-14-26-59-20-2-8-32-65(59)71,72-39-15-27-60-21-3-9-33-66(60)72)52-56-47-43-54(44-48-56)51-55-45-49-57(50-46-55)53-77(73-40-16-28-61-22-4-10-34-67(61)73,74-41-17-29-62-23-5-11-35-68(62)74)75-42-18-30-63-24-6-12-36-69(63)75;;/h1-50H,51-53H2;2*1H/q+2;;/p-2.
What are the key properties of trinaphthalen-1-yl-[[4-[[4-(trinaphthalen-1-ylphosphaniumylmethyl)phenyl]methyl]phenyl]methyl]phosphanium dibromide?
trinaphthalen-1-yl-[[4-[[4-(trinaphthalen-1-ylphosphaniumylmethyl)phenyl]methyl]phenyl]methyl]phosphanium dibromide has a molecular weight of 1179.03 g/mol, XLogP of 11.19, 12 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for trinaphthalen-1-yl-[[4-[[4-(trinaphthalen-1-ylphosphaniumylmethyl)phenyl]methyl]phenyl]methyl]phosphanium dibromide is sourced from PubChem (CID 57341285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).