4-(2,3,4,5,6-pentadeuteriophenyl)-N-[4-(2,3,4,5,6-pentadeuteriophenyl)naphthalen-2-yl]naphthalen-2-amine

C32H23N — CID 140891939

IUPAC4-(2,3,4,5,6-pentadeuteriophenyl)-N-[4-(2,3,4,5,6-pentadeuteriophenyl)naphthalen-2-yl]naphthalen-2-amine
SMILES[2H]c1c([2H])c([2H])c(-c2cc(Nc3cc(-c4c([2H])c([2H])c([2H])c([2H])c4[2H])c4ccccc4c3)cc3ccccc23)c([2H])c1[2H]
InChIInChI=1S/C32H23N/c1-3-11-23(12-4-1)31-21-27(19-25-15-7-9-17-29(25)31)33-28-20-26-16-8-10-18-30(26)32(22-28)24-13-5-2-6-14-24/h1-22,33H/i1D,2D,3D,4D,5D,6D,11D,12D,13D,14D
InChIKeyTZGFLKWUCFYYLX-IGSHGBDJSA-N
MW431.60 g/mol
LogP9.07
Rot. Bonds4

About 4-(2,3,4,5,6-pentadeuteriophenyl)-N-[4-(2,3,4,5,6-pentadeuteriophenyl)naphthalen-2-yl]naphthalen-2-amine

4-(2,3,4,5,6-pentadeuteriophenyl)-N-[4-(2,3,4,5,6-pentadeuteriophenyl)naphthalen-2-yl]naphthalen-2-amine (PubChem CID 140891939) has the molecular formula C32H23N and a molecular weight of 431.60 g/mol. Its IUPAC name is 4-(2,3,4,5,6-pentadeuteriophenyl)-N-[4-(2,3,4,5,6-pentadeuteriophenyl)naphthalen-2-yl]naphthalen-2-amine.

Molecular Properties

Compound Name4-(2,3,4,5,6-pentadeuteriophenyl)-N-[4-(2,3,4,5,6-pentadeuteriophenyl)naphthalen-2-yl]naphthalen-2-amine
PubChem CID140891939
Molecular FormulaC32H23N
Molecular Weight431.60 g/mol
Exact Mass431.25
IUPAC Name4-(2,3,4,5,6-pentadeuteriophenyl)-N-[4-(2,3,4,5,6-pentadeuteriophenyl)naphthalen-2-yl]naphthalen-2-amine
SMILES[2H]c1c([2H])c([2H])c(-c2cc(Nc3cc(-c4c([2H])c([2H])c([2H])c([2H])c4[2H])c4ccccc4c3)cc3ccccc23)c([2H])c1[2H]
InChIInChI=1S/C32H23N/c1-3-11-23(12-4-1)31-21-27(19-25-15-7-9-17-29(25)31)33-28-20-26-16-8-10-18-30(26)32(22-28)24-13-5-2-6-14-24/h1-22,33H/i1D,2D,3D,4D,5D,6D,11D,12D,13D,14D
InChIKeyTZGFLKWUCFYYLX-IGSHGBDJSA-N
XLogP9.07
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500431.60
LogP ≤ 59.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

CID 174245970
CID 174245970
1,2,3,4,5,6,7,8-octadeuterio-9-(2,3,4,5,6-pentadeuteriophenyl)-10-(2,3,5,6-tetradeuterio-4-naphthalen-1-ylphenyl)anthracene
CID 166587941
2-[10-[4-(2,3,4,5,6-pentadeuteriophenyl)naphthalen-2-yl]anthracen-9-yl]dibenzofuran
CID 170662890
1,2,3,4,5,6,7,8-octadeuterio-9-[4-(3-naphthalen-2-ylnaphthalen-1-yl)phenyl]-10-(2,3,4,5,6-pentadeuteriophenyl)anthracene
CID 176646952
N-(2,3,4,5,6-pentadeuteriophenyl)-N-(2,3,5,6-tetradeuterio-4-phenanthren-9-ylphenyl)phenanthren-9-amine
CID 162481370
3-[10-(2,3,4,5,6-pentadeuteriophenyl)anthracen-9-yl]-9-phenylphenanthrene
CID 140942140
2-(2,3,4,6,7,8,9-heptadeuteriodibenzofuran-1-yl)-4-(2,3,4,5,6-pentadeuteriophenyl)-6-(2,3,5,6-tetradeuterio-4-phenanthren-9-ylphenyl)-1,3,5-triazine
CID 170926592
4-phenanthren-9-yl-N,3-diphenylaniline
CID 177300609
1-[10-(2,3,4,5,6-pentadeuteriophenyl)anthracen-9-yl]-6-phenanthren-9-ylpyrene
CID 171415196
4-[4-[4-[10-(2,3,4,5,6-pentadeuteriophenyl)anthracen-9-yl]phenyl]phenyl]benzo[a]anthracene
CID 140593081
1,2,3,4-tetradeuterio-9-[5-(3-naphthalen-1-ylphenyl)naphthalen-2-yl]-10-(2,3,4,5,6-pentadeuteriophenyl)anthracene
CID 176646881
4-(2,3,4,5,6-pentadeuteriophenyl)naphthalen-1-ol
CID 58251687

Frequently Asked Questions

What is the IUPAC name of 4-(2,3,4,5,6-pentadeuteriophenyl)-N-[4-(2,3,4,5,6-pentadeuteriophenyl)naphthalen-2-yl]naphthalen-2-amine?
The IUPAC name of 4-(2,3,4,5,6-pentadeuteriophenyl)-N-[4-(2,3,4,5,6-pentadeuteriophenyl)naphthalen-2-yl]naphthalen-2-amine (CID 140891939) is 4-(2,3,4,5,6-pentadeuteriophenyl)-N-[4-(2,3,4,5,6-pentadeuteriophenyl)naphthalen-2-yl]naphthalen-2-amine.
What is the SMILES notation for 4-(2,3,4,5,6-pentadeuteriophenyl)-N-[4-(2,3,4,5,6-pentadeuteriophenyl)naphthalen-2-yl]naphthalen-2-amine?
The canonical SMILES for 4-(2,3,4,5,6-pentadeuteriophenyl)-N-[4-(2,3,4,5,6-pentadeuteriophenyl)naphthalen-2-yl]naphthalen-2-amine is [2H]c1c([2H])c([2H])c(-c2cc(Nc3cc(-c4c([2H])c([2H])c([2H])c([2H])c4[2H])c4ccccc4c3)cc3ccccc23)c([2H])c1[2H].
What is the InChIKey of 4-(2,3,4,5,6-pentadeuteriophenyl)-N-[4-(2,3,4,5,6-pentadeuteriophenyl)naphthalen-2-yl]naphthalen-2-amine?
The InChIKey is TZGFLKWUCFYYLX-IGSHGBDJSA-N. The full InChI is InChI=1S/C32H23N/c1-3-11-23(12-4-1)31-21-27(19-25-15-7-9-17-29(25)31)33-28-20-26-16-8-10-18-30(26)32(22-28)24-13-5-2-6-14-24/h1-22,33H/i1D,2D,3D,4D,5D,6D,11D,12D,13D,14D.
What are the key properties of 4-(2,3,4,5,6-pentadeuteriophenyl)-N-[4-(2,3,4,5,6-pentadeuteriophenyl)naphthalen-2-yl]naphthalen-2-amine?
4-(2,3,4,5,6-pentadeuteriophenyl)-N-[4-(2,3,4,5,6-pentadeuteriophenyl)naphthalen-2-yl]naphthalen-2-amine has a molecular weight of 431.60 g/mol, XLogP of 9.07, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,3,4,5,6-pentadeuteriophenyl)-N-[4-(2,3,4,5,6-pentadeuteriophenyl)naphthalen-2-yl]naphthalen-2-amine is sourced from PubChem (CID 140891939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).