1,6-bis(4-nitrophenoxy)naphthalene

C22H14N2O6 — CID 54368809

IUPAC1,6-bis(4-nitrophenoxy)naphthalene
SMILESO=[N+]([O-])c1ccc(Oc2ccc3c(Oc4ccc([N+](=O)[O-])cc4)cccc3c2)cc1
InChIInChI=1S/C22H14N2O6/c25-23(26)16-4-8-18(9-5-16)29-20-12-13-21-15(14-20)2-1-3-22(21)30-19-10-6-17(7-11-19)24(27)28/h1-14H
InChIKeyURRRIFDLRZGMQE-UHFFFAOYSA-N
MW402.36 g/mol
LogP6.24
Rot. Bonds6

About 1,6-bis(4-nitrophenoxy)naphthalene

1,6-bis(4-nitrophenoxy)naphthalene (PubChem CID 54368809) has the molecular formula C22H14N2O6 and a molecular weight of 402.36 g/mol. Its IUPAC name is 1,6-bis(4-nitrophenoxy)naphthalene.

Molecular Properties

Compound Name1,6-bis(4-nitrophenoxy)naphthalene
PubChem CID54368809
Molecular FormulaC22H14N2O6
Molecular Weight402.36 g/mol
Exact Mass402.09
IUPAC Name1,6-bis(4-nitrophenoxy)naphthalene
SMILESO=[N+]([O-])c1ccc(Oc2ccc3c(Oc4ccc([N+](=O)[O-])cc4)cccc3c2)cc1
InChIInChI=1S/C22H14N2O6/c25-23(26)16-4-8-18(9-5-16)29-20-12-13-21-15(14-20)2-1-3-22(21)30-19-10-6-17(7-11-19)24(27)28/h1-14H
InChIKeyURRRIFDLRZGMQE-UHFFFAOYSA-N
XLogP6.24
TPSA104.74 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500402.36
LogP ≤ 56.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-methyl-3-(4-nitrophenoxy)benzene
CID 16816
1-chloro-3-(4-nitrophenoxy)benzene
CID 16815
2-(4-nitrophenoxy)cyclohepta-2,4,6-trien-1-one
CID 71333814
1-ethyl-3-(4-nitrophenoxy)benzene
CID 22968899
1-(4-nitrophenoxy)-3-(trichloromethyl)benzene
CID 12765872
3-(4-nitrophenoxy)benzoate
CID 3680439
2-naphthalen-1-yloxy-5-nitroaniline
CID 62508135
1-(4-nitrophenoxy)-9H-carbazole
CID 150278984
1-(2-methyl-4-nitrophenoxy)naphthalene
CID 13245951
2,4-difluoro-1-(4-nitrophenoxy)benzene
CID 3015409
6-nitro-1-(6-nitronaphthalen-1-yl)naphthalene
CID 174928469
2-[2,3-bis(4-nitrophenoxy)phenyl]adamantane
CID 151477312

Frequently Asked Questions

What is the IUPAC name of 1,6-bis(4-nitrophenoxy)naphthalene?
The IUPAC name of 1,6-bis(4-nitrophenoxy)naphthalene (CID 54368809) is 1,6-bis(4-nitrophenoxy)naphthalene.
What is the SMILES notation for 1,6-bis(4-nitrophenoxy)naphthalene?
The canonical SMILES for 1,6-bis(4-nitrophenoxy)naphthalene is O=[N+]([O-])c1ccc(Oc2ccc3c(Oc4ccc([N+](=O)[O-])cc4)cccc3c2)cc1.
What is the InChIKey of 1,6-bis(4-nitrophenoxy)naphthalene?
The InChIKey is URRRIFDLRZGMQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H14N2O6/c25-23(26)16-4-8-18(9-5-16)29-20-12-13-21-15(14-20)2-1-3-22(21)30-19-10-6-17(7-11-19)24(27)28/h1-14H.
What are the key properties of 1,6-bis(4-nitrophenoxy)naphthalene?
1,6-bis(4-nitrophenoxy)naphthalene has a molecular weight of 402.36 g/mol, XLogP of 6.24, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,6-bis(4-nitrophenoxy)naphthalene is sourced from PubChem (CID 54368809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).