N-phenyl-N-(2,3,4,6-tetradeuterio-5-naphthalen-2-ylphenyl)naphthalen-1-amine

C32H23N — CID 171452429

IUPACN-phenyl-N-(2,3,4,6-tetradeuterio-5-naphthalen-2-ylphenyl)naphthalen-1-amine
SMILES[2H]c1c([2H])c(-c2ccc3ccccc3c2)c([2H])c(N(c2ccccc2)c2cccc3ccccc23)c1[2H]
InChIInChI=1S/C32H23N/c1-2-15-29(16-3-1)33(32-19-9-13-25-11-6-7-18-31(25)32)30-17-8-14-27(23-30)28-21-20-24-10-4-5-12-26(24)22-28/h1-23H/i8D,14D,17D,23D
InChIKeyREJDENGCCSEKQL-NRNOIDNXSA-N
MW425.57 g/mol
LogP9.13
Rot. Bonds4

About N-phenyl-N-(2,3,4,6-tetradeuterio-5-naphthalen-2-ylphenyl)naphthalen-1-amine

N-phenyl-N-(2,3,4,6-tetradeuterio-5-naphthalen-2-ylphenyl)naphthalen-1-amine (PubChem CID 171452429) has the molecular formula C32H23N and a molecular weight of 425.57 g/mol. Its IUPAC name is N-phenyl-N-(2,3,4,6-tetradeuterio-5-naphthalen-2-ylphenyl)naphthalen-1-amine.

Molecular Properties

Compound NameN-phenyl-N-(2,3,4,6-tetradeuterio-5-naphthalen-2-ylphenyl)naphthalen-1-amine
PubChem CID171452429
Molecular FormulaC32H23N
Molecular Weight425.57 g/mol
Exact Mass425.21
IUPAC NameN-phenyl-N-(2,3,4,6-tetradeuterio-5-naphthalen-2-ylphenyl)naphthalen-1-amine
SMILES[2H]c1c([2H])c(-c2ccc3ccccc3c2)c([2H])c(N(c2ccccc2)c2cccc3ccccc23)c1[2H]
InChIInChI=1S/C32H23N/c1-2-15-29(16-3-1)33(32-19-9-13-25-11-6-7-18-31(25)32)30-17-8-14-27(23-30)28-21-20-24-10-4-5-12-26(24)22-28/h1-23H/i8D,14D,17D,23D
InChIKeyREJDENGCCSEKQL-NRNOIDNXSA-N
XLogP9.13
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500425.57
LogP ≤ 59.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N-(4-phenylphenyl)-N-(2,3,4,6-tetradeuterio-5-naphthalen-2-ylphenyl)naphthalen-1-amine
CID 171452805
N-(2,3,4,6-tetradeuterio-5-naphthalen-2-ylphenyl)-N-(2,3,5,6-tetradeuterio-4-phenylphenyl)naphthalen-1-amine
CID 171450965
N-(2,3,4,6-tetradeuterio-5-naphthalen-2-ylphenyl)-N-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]naphthalen-1-amine
CID 171451530
N-(2,3,4,6-tetradeuterio-5-naphthalen-2-ylphenyl)-N-(2,3,5,6-tetradeuterio-4-naphthalen-1-ylphenyl)naphthalen-1-amine
CID 171451497
2,3,4,6-tetradeuterio-5-naphthalen-2-yl-N-phenyl-N-(4-phenylphenyl)aniline
CID 171452094
2,3,4,6-tetradeuterio-5-naphthalen-2-yl-N-[2-(4-phenylphenyl)phenyl]-N-[4-(3-phenylphenyl)phenyl]aniline
CID 171452941
2,3,4,6-tetradeuterio-5-naphthalen-2-yl-N-(4-naphthalen-1-ylphenyl)-N-[4-(4-phenylphenyl)phenyl]aniline
CID 171450936
2,3,4,6-tetradeuterio-5-naphthalen-1-yl-N-(3-naphthalen-2-ylphenyl)-N-[4-(3-phenylphenyl)phenyl]aniline
CID 171452169
N-[4-[4-(4-naphthalen-2-yl-N-(4-naphthalen-2-ylphenyl)anilino)phenyl]phenyl]-N-phenylnaphthalen-1-amine
CID 121327844
2,3,4,6-tetradeuterio-5-naphthalen-2-yl-N-(4-naphthalen-1-ylphenyl)-N-(2,3,5,6-tetradeuterio-4-phenylphenyl)aniline
CID 171451985
2,3,4,6-tetradeuterio-5-naphthalen-2-yl-N-(2,3,5,6-tetradeuterio-4-phenylphenyl)-N-[2,3,5,6-tetradeuterio-4-(3-phenylphenyl)phenyl]aniline
CID 171451945
2,3,4,6-tetradeuterio-5-naphthalen-2-yl-N-[2-(4-phenylphenyl)phenyl]-N-[2,3,5,6-tetradeuterio-4-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]phenyl]aniline
CID 171452063

Frequently Asked Questions

What is the IUPAC name of N-phenyl-N-(2,3,4,6-tetradeuterio-5-naphthalen-2-ylphenyl)naphthalen-1-amine?
The IUPAC name of N-phenyl-N-(2,3,4,6-tetradeuterio-5-naphthalen-2-ylphenyl)naphthalen-1-amine (CID 171452429) is N-phenyl-N-(2,3,4,6-tetradeuterio-5-naphthalen-2-ylphenyl)naphthalen-1-amine.
What is the SMILES notation for N-phenyl-N-(2,3,4,6-tetradeuterio-5-naphthalen-2-ylphenyl)naphthalen-1-amine?
The canonical SMILES for N-phenyl-N-(2,3,4,6-tetradeuterio-5-naphthalen-2-ylphenyl)naphthalen-1-amine is [2H]c1c([2H])c(-c2ccc3ccccc3c2)c([2H])c(N(c2ccccc2)c2cccc3ccccc23)c1[2H].
What is the InChIKey of N-phenyl-N-(2,3,4,6-tetradeuterio-5-naphthalen-2-ylphenyl)naphthalen-1-amine?
The InChIKey is REJDENGCCSEKQL-NRNOIDNXSA-N. The full InChI is InChI=1S/C32H23N/c1-2-15-29(16-3-1)33(32-19-9-13-25-11-6-7-18-31(25)32)30-17-8-14-27(23-30)28-21-20-24-10-4-5-12-26(24)22-28/h1-23H/i8D,14D,17D,23D.
What are the key properties of N-phenyl-N-(2,3,4,6-tetradeuterio-5-naphthalen-2-ylphenyl)naphthalen-1-amine?
N-phenyl-N-(2,3,4,6-tetradeuterio-5-naphthalen-2-ylphenyl)naphthalen-1-amine has a molecular weight of 425.57 g/mol, XLogP of 9.13, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenyl-N-(2,3,4,6-tetradeuterio-5-naphthalen-2-ylphenyl)naphthalen-1-amine is sourced from PubChem (CID 171452429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).