1-[6-(3-chlorophenyl)naphthalen-2-yl]-2,3,4,5,6,7,8-heptadeuterionaphthalene

C26H17Cl — CID 169040063

IUPAC1-[6-(3-chlorophenyl)naphthalen-2-yl]-2,3,4,5,6,7,8-heptadeuterionaphthalene
SMILES[2H]c1c([2H])c([2H])c2c(-c3ccc4cc(-c5cccc(Cl)c5)ccc4c3)c([2H])c([2H])c([2H])c2c1[2H]
InChIInChI=1S/C26H17Cl/c27-24-8-3-7-19(17-24)20-11-12-22-16-23(14-13-21(22)15-20)26-10-4-6-18-5-1-2-9-25(18)26/h1-17H/i1D,2D,4D,5D,6D,9D,10D
InChIKeyQHDLDDQKYIOLQS-SIBVXZQBSA-N
MW371.92 g/mol
LogP7.98
Rot. Bonds2

About 1-[6-(3-chlorophenyl)naphthalen-2-yl]-2,3,4,5,6,7,8-heptadeuterionaphthalene

1-[6-(3-chlorophenyl)naphthalen-2-yl]-2,3,4,5,6,7,8-heptadeuterionaphthalene (PubChem CID 169040063) has the molecular formula C26H17Cl and a molecular weight of 371.92 g/mol. Its IUPAC name is 1-[6-(3-chlorophenyl)naphthalen-2-yl]-2,3,4,5,6,7,8-heptadeuterionaphthalene.

Molecular Properties

Compound Name1-[6-(3-chlorophenyl)naphthalen-2-yl]-2,3,4,5,6,7,8-heptadeuterionaphthalene
PubChem CID169040063
Molecular FormulaC26H17Cl
Molecular Weight371.92 g/mol
Exact Mass371.15
IUPAC Name1-[6-(3-chlorophenyl)naphthalen-2-yl]-2,3,4,5,6,7,8-heptadeuterionaphthalene
SMILES[2H]c1c([2H])c([2H])c2c(-c3ccc4cc(-c5cccc(Cl)c5)ccc4c3)c([2H])c([2H])c([2H])c2c1[2H]
InChIInChI=1S/C26H17Cl/c27-24-8-3-7-19(17-24)20-11-12-22-16-23(14-13-21(22)15-20)26-10-4-6-18-5-1-2-9-25(18)26/h1-17H/i1D,2D,4D,5D,6D,9D,10D
InChIKeyQHDLDDQKYIOLQS-SIBVXZQBSA-N
XLogP7.98
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500371.92
LogP ≤ 57.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-[3-(4-chlorophenyl)phenyl]-2,3,4,5,6,7,8-heptadeuterionaphthalene
CID 168846070
1-[6-(3-chlorophenyl)naphthalen-2-yl]-2,3,4,6,7,8,9-heptadeuteriodibenzofuran
CID 171731297
2-[3-[6-(2,3,4,5,6,7,8-heptadeuterionaphthalen-1-yl)naphthalen-2-yl]phenyl]-4-naphthalen-2-yl-6-phenyl-1,3,5-triazine
CID 169039958
1-(3-chlorophenyl)-2,3,5,6,7,8-hexadeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)naphthalene
CID 171417682
2-chloro-4-(2,3,4,5,6,7,8-heptadeuterionaphthalen-1-yl)-6-(6-phenylnaphthalen-2-yl)-1,3,5-triazine
CID 167454968
1-[3-[3-(2,3,4,5,6,7,8-heptadeuterionaphthalen-1-yl)-5-(3-pyren-1-ylphenyl)phenyl]phenyl]pyrene
CID 166019616
9-naphthalen-2-yl-10-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6,7,8-heptadeuterionaphthalen-1-yl)phenyl]anthracene
CID 167406859
2-[3-(2,3,4,5,6,7,8-heptadeuterionaphthalen-1-yl)-5-(6-phenylnaphthalen-2-yl)phenyl]-4-(7-naphthalen-2-ylnaphthalen-2-yl)-6-phenyl-1,3,5-triazine
CID 170691076
2-(2,3,4,5,6,7,8-heptadeuterionaphthalen-1-yl)-9,10-diphenylanthracene;2-naphthalen-1-yl-9-(2,3,4,5,6-pentadeuteriophenyl)-10-phenylanthracene;2-(3-naphthalen-1-ylphenyl)-9,10-diphenylanthracene;2-(3-naphthalen-2-ylphenyl)-9,10-diphenylanthracene;2-(4-naphthalen-2-ylphenyl)-9,10-diphenylanthracene
CID 163429802
2-[3-(2,3,4,5,6,7,8-heptadeuterionaphthalen-1-yl)-5-(6-phenylnaphthalen-2-yl)phenyl]-4-(3-phenanthren-2-ylphenyl)-6-phenyl-1,3,5-triazine
CID 170691032
9-naphthalen-1-yl-10-naphthalen-2-ylanthracene;1,2,3,4,5,6,7,8-octadeuterio-9-(2,3,4,5,6,7,8-heptadeuterionaphthalen-1-yl)-10-naphthalen-2-ylanthracene;1,2,3,4,5,6,7,8-octadeuterio-9-naphthalen-1-yl-10-naphthalen-2-ylanthracene
CID 164992403
6-(3-chlorophenyl)naphthalen-2-amine
CID 172868696

Frequently Asked Questions

What is the IUPAC name of 1-[6-(3-chlorophenyl)naphthalen-2-yl]-2,3,4,5,6,7,8-heptadeuterionaphthalene?
The IUPAC name of 1-[6-(3-chlorophenyl)naphthalen-2-yl]-2,3,4,5,6,7,8-heptadeuterionaphthalene (CID 169040063) is 1-[6-(3-chlorophenyl)naphthalen-2-yl]-2,3,4,5,6,7,8-heptadeuterionaphthalene.
What is the SMILES notation for 1-[6-(3-chlorophenyl)naphthalen-2-yl]-2,3,4,5,6,7,8-heptadeuterionaphthalene?
The canonical SMILES for 1-[6-(3-chlorophenyl)naphthalen-2-yl]-2,3,4,5,6,7,8-heptadeuterionaphthalene is [2H]c1c([2H])c([2H])c2c(-c3ccc4cc(-c5cccc(Cl)c5)ccc4c3)c([2H])c([2H])c([2H])c2c1[2H].
What is the InChIKey of 1-[6-(3-chlorophenyl)naphthalen-2-yl]-2,3,4,5,6,7,8-heptadeuterionaphthalene?
The InChIKey is QHDLDDQKYIOLQS-SIBVXZQBSA-N. The full InChI is InChI=1S/C26H17Cl/c27-24-8-3-7-19(17-24)20-11-12-22-16-23(14-13-21(22)15-20)26-10-4-6-18-5-1-2-9-25(18)26/h1-17H/i1D,2D,4D,5D,6D,9D,10D.
What are the key properties of 1-[6-(3-chlorophenyl)naphthalen-2-yl]-2,3,4,5,6,7,8-heptadeuterionaphthalene?
1-[6-(3-chlorophenyl)naphthalen-2-yl]-2,3,4,5,6,7,8-heptadeuterionaphthalene has a molecular weight of 371.92 g/mol, XLogP of 7.98, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(3-chlorophenyl)naphthalen-2-yl]-2,3,4,5,6,7,8-heptadeuterionaphthalene is sourced from PubChem (CID 169040063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).