7-[(2-chloro-5-nitrophenyl)methoxy]-1-[7-[(2-chloro-5-nitrophenyl)methoxy]-2-ethenylnaphthalen-1-yl]-2-ethenylnaphthalene

C38H26Cl2N2O6 — CID 102507800

IUPAC7-[(2-chloro-5-nitrophenyl)methoxy]-1-[7-[(2-chloro-5-nitrophenyl)methoxy]-2-ethenylnaphthalen-1-yl]-2-ethenylnaphthalene
SMILESC=Cc1ccc2ccc(OCc3cc([N+](=O)[O-])ccc3Cl)cc2c1-c1c(C=C)ccc2ccc(OCc3cc([N+](=O)[O-])ccc3Cl)cc12
InChIInChI=1S/C38H26Cl2N2O6/c1-3-23-5-7-25-9-13-31(47-21-27-17-29(41(43)44)11-15-35(27)39)19-33(25)37(23)38-24(4-2)6-8-26-10-14-32(20-34(26)38)48-22-28-18-30(42(45)46)12-16-36(28)40/h3-20H,1-2,21-22H2
InChIKeyKMRFJGBZFUJCDA-UHFFFAOYSA-N
MW677.54 g/mol
LogP11.23
Rot. Bonds11

About 7-[(2-chloro-5-nitrophenyl)methoxy]-1-[7-[(2-chloro-5-nitrophenyl)methoxy]-2-ethenylnaphthalen-1-yl]-2-ethenylnaphthalene

7-[(2-chloro-5-nitrophenyl)methoxy]-1-[7-[(2-chloro-5-nitrophenyl)methoxy]-2-ethenylnaphthalen-1-yl]-2-ethenylnaphthalene (PubChem CID 102507800) has the molecular formula C38H26Cl2N2O6 and a molecular weight of 677.54 g/mol. Its IUPAC name is 7-[(2-chloro-5-nitrophenyl)methoxy]-1-[7-[(2-chloro-5-nitrophenyl)methoxy]-2-ethenylnaphthalen-1-yl]-2-ethenylnaphthalene.

Molecular Properties

Compound Name7-[(2-chloro-5-nitrophenyl)methoxy]-1-[7-[(2-chloro-5-nitrophenyl)methoxy]-2-ethenylnaphthalen-1-yl]-2-ethenylnaphthalene
PubChem CID102507800
Molecular FormulaC38H26Cl2N2O6
Molecular Weight677.54 g/mol
Exact Mass676.12
IUPAC Name7-[(2-chloro-5-nitrophenyl)methoxy]-1-[7-[(2-chloro-5-nitrophenyl)methoxy]-2-ethenylnaphthalen-1-yl]-2-ethenylnaphthalene
SMILESC=Cc1ccc2ccc(OCc3cc([N+](=O)[O-])ccc3Cl)cc2c1-c1c(C=C)ccc2ccc(OCc3cc([N+](=O)[O-])ccc3Cl)cc12
InChIInChI=1S/C38H26Cl2N2O6/c1-3-23-5-7-25-9-13-31(47-21-27-17-29(41(43)44)11-15-35(27)39)19-33(25)37(23)38-24(4-2)6-8-26-10-14-32(20-34(26)38)48-22-28-18-30(42(45)46)12-16-36(28)40/h3-20H,1-2,21-22H2
InChIKeyKMRFJGBZFUJCDA-UHFFFAOYSA-N
XLogP11.23
TPSA104.74 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500677.54
LogP ≤ 511.23
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

4-[(2-chloro-5-nitrophenyl)methoxy]benzonitrile
CID 43169197
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CID 83133517
2-[(3-bromo-4-fluorophenoxy)methyl]-1-chloro-4-nitrobenzene
CID 83231215
1-chloro-2-[(2-methylphenoxy)methyl]-4-nitrobenzene
CID 43169195
1-chloro-2-[(4-methoxyphenyl)methyl]-4-nitrobenzene;methane
CID 159735063
2-(butoxymethyl)-1-chloro-4-nitrobenzene
CID 43267660
1-chloro-2-[(2,5-difluorophenoxy)methyl]-4-nitrobenzene
CID 63269550
1-chloro-2-(2-ethoxyethoxymethyl)-4-nitrobenzene
CID 43350428
2-[(2,5-dichlorophenyl)methoxy]-4-nitroaniline
CID 67474125
1-chloro-2-(1,1,1,3,3,3-hexafluoropropan-2-yloxymethyl)-4-nitrobenzene
CID 102722054
4-nitro-2-[(3-nitrophenoxy)methyl]aniline
CID 62195790
5-[(2-chloro-4-nitrophenyl)methoxy]-2-fluoropyridine
CID 113296504

Frequently Asked Questions

What is the IUPAC name of 7-[(2-chloro-5-nitrophenyl)methoxy]-1-[7-[(2-chloro-5-nitrophenyl)methoxy]-2-ethenylnaphthalen-1-yl]-2-ethenylnaphthalene?
The IUPAC name of 7-[(2-chloro-5-nitrophenyl)methoxy]-1-[7-[(2-chloro-5-nitrophenyl)methoxy]-2-ethenylnaphthalen-1-yl]-2-ethenylnaphthalene (CID 102507800) is 7-[(2-chloro-5-nitrophenyl)methoxy]-1-[7-[(2-chloro-5-nitrophenyl)methoxy]-2-ethenylnaphthalen-1-yl]-2-ethenylnaphthalene.
What is the SMILES notation for 7-[(2-chloro-5-nitrophenyl)methoxy]-1-[7-[(2-chloro-5-nitrophenyl)methoxy]-2-ethenylnaphthalen-1-yl]-2-ethenylnaphthalene?
The canonical SMILES for 7-[(2-chloro-5-nitrophenyl)methoxy]-1-[7-[(2-chloro-5-nitrophenyl)methoxy]-2-ethenylnaphthalen-1-yl]-2-ethenylnaphthalene is C=Cc1ccc2ccc(OCc3cc([N+](=O)[O-])ccc3Cl)cc2c1-c1c(C=C)ccc2ccc(OCc3cc([N+](=O)[O-])ccc3Cl)cc12.
What is the InChIKey of 7-[(2-chloro-5-nitrophenyl)methoxy]-1-[7-[(2-chloro-5-nitrophenyl)methoxy]-2-ethenylnaphthalen-1-yl]-2-ethenylnaphthalene?
The InChIKey is KMRFJGBZFUJCDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H26Cl2N2O6/c1-3-23-5-7-25-9-13-31(47-21-27-17-29(41(43)44)11-15-35(27)39)19-33(25)37(23)38-24(4-2)6-8-26-10-14-32(20-34(26)38)48-22-28-18-30(42(45)46)12-16-36(28)40/h3-20H,1-2,21-22H2.
What are the key properties of 7-[(2-chloro-5-nitrophenyl)methoxy]-1-[7-[(2-chloro-5-nitrophenyl)methoxy]-2-ethenylnaphthalen-1-yl]-2-ethenylnaphthalene?
7-[(2-chloro-5-nitrophenyl)methoxy]-1-[7-[(2-chloro-5-nitrophenyl)methoxy]-2-ethenylnaphthalen-1-yl]-2-ethenylnaphthalene has a molecular weight of 677.54 g/mol, XLogP of 11.23, 11 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(2-chloro-5-nitrophenyl)methoxy]-1-[7-[(2-chloro-5-nitrophenyl)methoxy]-2-ethenylnaphthalen-1-yl]-2-ethenylnaphthalene is sourced from PubChem (CID 102507800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).