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

C22H15Cl — CID 168846070

IUPAC1-[3-(4-chlorophenyl)phenyl]-2,3,4,5,6,7,8-heptadeuterionaphthalene
SMILES[2H]c1c([2H])c([2H])c2c(-c3cccc(-c4ccc(Cl)cc4)c3)c([2H])c([2H])c([2H])c2c1[2H]
InChIInChI=1S/C22H15Cl/c23-20-13-11-16(12-14-20)18-7-3-8-19(15-18)22-10-4-6-17-5-1-2-9-21(17)22/h1-15H/i1D,2D,4D,5D,6D,9D,10D
InChIKeyZVTDFCVRPNKYRG-SIBVXZQBSA-N
MW321.86 g/mol
LogP6.83
Rot. Bonds2

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

1-[3-(4-chlorophenyl)phenyl]-2,3,4,5,6,7,8-heptadeuterionaphthalene (PubChem CID 168846070) has the molecular formula C22H15Cl and a molecular weight of 321.86 g/mol. Its IUPAC name is 1-[3-(4-chlorophenyl)phenyl]-2,3,4,5,6,7,8-heptadeuterionaphthalene.

Molecular Properties

Compound Name1-[3-(4-chlorophenyl)phenyl]-2,3,4,5,6,7,8-heptadeuterionaphthalene
PubChem CID168846070
Molecular FormulaC22H15Cl
Molecular Weight321.86 g/mol
Exact Mass321.13
IUPAC Name1-[3-(4-chlorophenyl)phenyl]-2,3,4,5,6,7,8-heptadeuterionaphthalene
SMILES[2H]c1c([2H])c([2H])c2c(-c3cccc(-c4ccc(Cl)cc4)c3)c([2H])c([2H])c([2H])c2c1[2H]
InChIInChI=1S/C22H15Cl/c23-20-13-11-16(12-14-20)18-7-3-8-19(15-18)22-10-4-6-17-5-1-2-9-21(17)22/h1-15H/i1D,2D,4D,5D,6D,9D,10D
InChIKeyZVTDFCVRPNKYRG-SIBVXZQBSA-N
XLogP6.83
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500321.86
LogP ≤ 56.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-[6-(3-chlorophenyl)naphthalen-2-yl]-2,3,4,5,6,7,8-heptadeuterionaphthalene
CID 169040063
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
2-[3-(2,3,4,5,6,7,8-heptadeuterionaphthalen-1-yl)phenyl]-4-(5-naphthalen-1-ylnaphthalen-1-yl)-6-[3-(4-naphthalen-1-ylphenyl)phenyl]-1,3,5-triazine
CID 171439436
1-[3-[3-(2,3,4,5,6,7,8-heptadeuterionaphthalen-1-yl)-5-(3-pyren-1-ylphenyl)phenyl]phenyl]pyrene
CID 166019616
1,2,3,4,5,6,7,9,10-nonadeuterio-8-[3-[4-(2,3,4,5,6,7,8,9,10-nonadeuteriopyren-1-yl)phenyl]phenyl]pyrene
CID 166019858
1-[6-(3-chlorophenyl)naphthalen-2-yl]-2,3,4,6,7,8,9-heptadeuteriodibenzofuran
CID 171731297
2-chloro-4-(2,3,4,5,6,7,8-heptadeuterionaphthalen-1-yl)-6-(6-phenylnaphthalen-2-yl)-1,3,5-triazine
CID 167454968
1,2,3,4,5,6,7,8-octadeuterio-9-(2,3,4,5,6,7,8-heptadeuterionaphthalen-1-yl)-10-(4-phenylnaphthalen-1-yl)anthracene;1,2,3,4,5,6,7,8-octadeuterio-9-(5-phenylnaphthalen-1-yl)-10-(3-phenylphenyl)anthracene
CID 167665462
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
9-(2,3,4,5,6,7,8-heptadeuterionaphthalen-1-yl)-10-(4-phenylphenyl)anthracene
CID 140926355
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

Frequently Asked Questions

What is the IUPAC name of 1-[3-(4-chlorophenyl)phenyl]-2,3,4,5,6,7,8-heptadeuterionaphthalene?
The IUPAC name of 1-[3-(4-chlorophenyl)phenyl]-2,3,4,5,6,7,8-heptadeuterionaphthalene (CID 168846070) is 1-[3-(4-chlorophenyl)phenyl]-2,3,4,5,6,7,8-heptadeuterionaphthalene.
What is the SMILES notation for 1-[3-(4-chlorophenyl)phenyl]-2,3,4,5,6,7,8-heptadeuterionaphthalene?
The canonical SMILES for 1-[3-(4-chlorophenyl)phenyl]-2,3,4,5,6,7,8-heptadeuterionaphthalene is [2H]c1c([2H])c([2H])c2c(-c3cccc(-c4ccc(Cl)cc4)c3)c([2H])c([2H])c([2H])c2c1[2H].
What is the InChIKey of 1-[3-(4-chlorophenyl)phenyl]-2,3,4,5,6,7,8-heptadeuterionaphthalene?
The InChIKey is ZVTDFCVRPNKYRG-SIBVXZQBSA-N. The full InChI is InChI=1S/C22H15Cl/c23-20-13-11-16(12-14-20)18-7-3-8-19(15-18)22-10-4-6-17-5-1-2-9-21(17)22/h1-15H/i1D,2D,4D,5D,6D,9D,10D.
What are the key properties of 1-[3-(4-chlorophenyl)phenyl]-2,3,4,5,6,7,8-heptadeuterionaphthalene?
1-[3-(4-chlorophenyl)phenyl]-2,3,4,5,6,7,8-heptadeuterionaphthalene has a molecular weight of 321.86 g/mol, XLogP of 6.83, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(4-chlorophenyl)phenyl]-2,3,4,5,6,7,8-heptadeuterionaphthalene is sourced from PubChem (CID 168846070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).