1-naphthalen-1-ylnaphthalene;phosphoric acid;triethyl(methyl)azanium

C27H35NO4P+ — CID 174870866

IUPAC1-naphthalen-1-ylnaphthalene;phosphoric acid;triethyl(methyl)azanium
SMILESCC[N+](C)(CC)CC.O=P(O)(O)O.c1ccc2c(-c3cccc4ccccc34)cccc2c1
InChIInChI=1S/C20H14.C7H18N.H3O4P/c1-3-11-17-15(7-1)9-5-13-19(17)20-14-6-10-16-8-2-4-12-18(16)20;1-5-8(4,6-2)7-3;1-5(2,3)4/h1-14H;5-7H2,1-4H3;(H3,1,2,3,4)/q;+1;
InChIKeyNTBHPFKYXBNOMT-UHFFFAOYSA-N
MW468.55 g/mol
LogP6.22
Rot. Bonds4

About 1-naphthalen-1-ylnaphthalene;phosphoric acid;triethyl(methyl)azanium

1-naphthalen-1-ylnaphthalene;phosphoric acid;triethyl(methyl)azanium (PubChem CID 174870866) has the molecular formula C27H35NO4P+ and a molecular weight of 468.55 g/mol. Its IUPAC name is 1-naphthalen-1-ylnaphthalene;phosphoric acid;triethyl(methyl)azanium.

Molecular Properties

Compound Name1-naphthalen-1-ylnaphthalene;phosphoric acid;triethyl(methyl)azanium
PubChem CID174870866
Molecular FormulaC27H35NO4P+
Molecular Weight468.55 g/mol
Exact Mass468.23
IUPAC Name1-naphthalen-1-ylnaphthalene;phosphoric acid;triethyl(methyl)azanium
SMILESCC[N+](C)(CC)CC.O=P(O)(O)O.c1ccc2c(-c3cccc4ccccc34)cccc2c1
InChIInChI=1S/C20H14.C7H18N.H3O4P/c1-3-11-17-15(7-1)9-5-13-19(17)20-14-6-10-16-8-2-4-12-18(16)20;1-5-8(4,6-2)7-3;1-5(2,3)4/h1-14H;5-7H2,1-4H3;(H3,1,2,3,4)/q;+1;
InChIKeyNTBHPFKYXBNOMT-UHFFFAOYSA-N
XLogP6.22
TPSA77.76 Ų
H-Bond Donors3
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500468.55
LogP ≤ 56.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Related Compounds

CID 175282704
CID 175282704
bis(1-naphthalen-1-ylnaphthalene);phosphane
CID 175426418
tetrakis(1-naphthalen-1-ylnaphthalene);tetrahydrochloride
CID 173126408
1-naphthalen-1-ylnaphthalene;tetrahydrochloride
CID 68981096
1-naphthalen-1-yl-4-(5-naphthalen-1-ylnaphthalen-1-yl)naphthalene
CID 59169251
bis(naphthalen-1-ol);phosphoric acid
CID 174499172
1-naphthalen-1-ylnaphthalene;ruthenium(2+);dichloride
CID 11327769
sodium;hydride;naphthalen-1-ol;phosphoric acid
CID 174705460
2-(2-naphthalen-1-ylphenyl)phenol
CID 122204114
1-naphthalen-1-ylnaphthalene;phenol
CID 174330284
(9,10-dioxoanthracen-2-yl)-diethyl-methylazanium;phosphoric acid
CID 22315904
(2-naphthalen-1-ylphenyl)boronic acid
CID 66736681

Frequently Asked Questions

What is the IUPAC name of 1-naphthalen-1-ylnaphthalene;phosphoric acid;triethyl(methyl)azanium?
The IUPAC name of 1-naphthalen-1-ylnaphthalene;phosphoric acid;triethyl(methyl)azanium (CID 174870866) is 1-naphthalen-1-ylnaphthalene;phosphoric acid;triethyl(methyl)azanium.
What is the SMILES notation for 1-naphthalen-1-ylnaphthalene;phosphoric acid;triethyl(methyl)azanium?
The canonical SMILES for 1-naphthalen-1-ylnaphthalene;phosphoric acid;triethyl(methyl)azanium is CC[N+](C)(CC)CC.O=P(O)(O)O.c1ccc2c(-c3cccc4ccccc34)cccc2c1.
What is the InChIKey of 1-naphthalen-1-ylnaphthalene;phosphoric acid;triethyl(methyl)azanium?
The InChIKey is NTBHPFKYXBNOMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14.C7H18N.H3O4P/c1-3-11-17-15(7-1)9-5-13-19(17)20-14-6-10-16-8-2-4-12-18(16)20;1-5-8(4,6-2)7-3;1-5(2,3)4/h1-14H;5-7H2,1-4H3;(H3,1,2,3,4)/q;+1;.
What are the key properties of 1-naphthalen-1-ylnaphthalene;phosphoric acid;triethyl(methyl)azanium?
1-naphthalen-1-ylnaphthalene;phosphoric acid;triethyl(methyl)azanium has a molecular weight of 468.55 g/mol, XLogP of 6.22, 4 rotatable bonds, 3 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-naphthalen-1-ylnaphthalene;phosphoric acid;triethyl(methyl)azanium is sourced from PubChem (CID 174870866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).