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

C42H29N — CID 171451497

IUPACN-(2,3,4,6-tetradeuterio-5-naphthalen-2-ylphenyl)-N-(2,3,5,6-tetradeuterio-4-naphthalen-1-ylphenyl)naphthalen-1-amine
SMILES[2H]c1c([2H])c(-c2ccc3ccccc3c2)c([2H])c(N(c2c([2H])c([2H])c(-c3cccc4ccccc34)c([2H])c2[2H])c2cccc3ccccc23)c1[2H]
InChIInChI=1S/C42H29N/c1-2-13-34-28-36(23-22-30(34)10-1)35-16-7-17-38(29-35)43(42-21-9-15-32-12-4-6-19-41(32)42)37-26-24-33(25-27-37)40-20-8-14-31-11-3-5-18-39(31)40/h1-29H/i7D,16D,17D,24D,25D,26D,27D,29D
InChIKeyBUDCLUKWFFNBMN-CPHAMJBGSA-N
MW555.75 g/mol
LogP11.95
Rot. Bonds5

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

N-(2,3,4,6-tetradeuterio-5-naphthalen-2-ylphenyl)-N-(2,3,5,6-tetradeuterio-4-naphthalen-1-ylphenyl)naphthalen-1-amine (PubChem CID 171451497) has the molecular formula C42H29N and a molecular weight of 555.75 g/mol. Its IUPAC name is N-(2,3,4,6-tetradeuterio-5-naphthalen-2-ylphenyl)-N-(2,3,5,6-tetradeuterio-4-naphthalen-1-ylphenyl)naphthalen-1-amine.

Molecular Properties

Compound NameN-(2,3,4,6-tetradeuterio-5-naphthalen-2-ylphenyl)-N-(2,3,5,6-tetradeuterio-4-naphthalen-1-ylphenyl)naphthalen-1-amine
PubChem CID171451497
Molecular FormulaC42H29N
Molecular Weight555.75 g/mol
Exact Mass555.28
IUPAC NameN-(2,3,4,6-tetradeuterio-5-naphthalen-2-ylphenyl)-N-(2,3,5,6-tetradeuterio-4-naphthalen-1-ylphenyl)naphthalen-1-amine
SMILES[2H]c1c([2H])c(-c2ccc3ccccc3c2)c([2H])c(N(c2c([2H])c([2H])c(-c3cccc4ccccc34)c([2H])c2[2H])c2cccc3ccccc23)c1[2H]
InChIInChI=1S/C42H29N/c1-2-13-34-28-36(23-22-30(34)10-1)35-16-7-17-38(29-35)43(42-21-9-15-32-12-4-6-19-41(32)42)37-26-24-33(25-27-37)40-20-8-14-31-11-3-5-18-39(31)40/h1-29H/i7D,16D,17D,24D,25D,26D,27D,29D
InChIKeyBUDCLUKWFFNBMN-CPHAMJBGSA-N
XLogP11.95
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500555.75
LogP ≤ 511.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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-phenylphenyl)naphthalen-1-amine
CID 171450965
N-phenyl-N-(2,3,4,6-tetradeuterio-5-naphthalen-2-ylphenyl)naphthalen-1-amine
CID 171452429
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
N-(4-phenylphenyl)-N-(2,3,4,6-tetradeuterio-5-naphthalen-2-ylphenyl)naphthalen-1-amine
CID 171452805
2,3,4,6-tetradeuterio-5-naphthalen-1-yl-N-[2,3,5,6-tetradeuterio-4-(4-naphthalen-2-ylphenyl)phenyl]-N-[2,3,5,6-tetradeuterio-4-(1-phenylnaphthalen-2-yl)phenyl]aniline
CID 172527786
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-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
2,3,4,6-tetradeuterio-5-naphthalen-1-yl-N-(2-phenylphenyl)-N-[2,3,5,6-tetradeuterio-4-(3-phenylphenyl)phenyl]aniline
CID 171451213
2,3,4,6-tetradeuterio-5-naphthalen-1-yl-N-[2-(4-phenylphenyl)phenyl]-N-(2,3,5,6-tetradeuterio-4-phenylphenyl)aniline
CID 171452275
2,3,4,6-tetradeuterio-5-naphthalen-2-yl-N-[2,3,5,6-tetradeuterio-4-(1-phenylnaphthalen-2-yl)phenyl]-N-[2,3,5,6-tetradeuterio-4-(3-phenylphenyl)phenyl]aniline
CID 172527582
N-(2,3,4,6-tetradeuterio-5-naphthalen-1-ylphenyl)-N-(2,3,5,6-tetradeuterio-4-naphthalen-2-ylphenyl)naphtho[1,2-b][1]benzofuran-7-amine
CID 171737917

Frequently Asked Questions

What is the IUPAC name of N-(2,3,4,6-tetradeuterio-5-naphthalen-2-ylphenyl)-N-(2,3,5,6-tetradeuterio-4-naphthalen-1-ylphenyl)naphthalen-1-amine?
The IUPAC name of 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) is N-(2,3,4,6-tetradeuterio-5-naphthalen-2-ylphenyl)-N-(2,3,5,6-tetradeuterio-4-naphthalen-1-ylphenyl)naphthalen-1-amine.
What is the SMILES notation for N-(2,3,4,6-tetradeuterio-5-naphthalen-2-ylphenyl)-N-(2,3,5,6-tetradeuterio-4-naphthalen-1-ylphenyl)naphthalen-1-amine?
The canonical SMILES for N-(2,3,4,6-tetradeuterio-5-naphthalen-2-ylphenyl)-N-(2,3,5,6-tetradeuterio-4-naphthalen-1-ylphenyl)naphthalen-1-amine is [2H]c1c([2H])c(-c2ccc3ccccc3c2)c([2H])c(N(c2c([2H])c([2H])c(-c3cccc4ccccc34)c([2H])c2[2H])c2cccc3ccccc23)c1[2H].
What is the InChIKey of N-(2,3,4,6-tetradeuterio-5-naphthalen-2-ylphenyl)-N-(2,3,5,6-tetradeuterio-4-naphthalen-1-ylphenyl)naphthalen-1-amine?
The InChIKey is BUDCLUKWFFNBMN-CPHAMJBGSA-N. The full InChI is InChI=1S/C42H29N/c1-2-13-34-28-36(23-22-30(34)10-1)35-16-7-17-38(29-35)43(42-21-9-15-32-12-4-6-19-41(32)42)37-26-24-33(25-27-37)40-20-8-14-31-11-3-5-18-39(31)40/h1-29H/i7D,16D,17D,24D,25D,26D,27D,29D.
What are the key properties of N-(2,3,4,6-tetradeuterio-5-naphthalen-2-ylphenyl)-N-(2,3,5,6-tetradeuterio-4-naphthalen-1-ylphenyl)naphthalen-1-amine?
N-(2,3,4,6-tetradeuterio-5-naphthalen-2-ylphenyl)-N-(2,3,5,6-tetradeuterio-4-naphthalen-1-ylphenyl)naphthalen-1-amine has a molecular weight of 555.75 g/mol, XLogP of 11.95, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3,4,6-tetradeuterio-5-naphthalen-2-ylphenyl)-N-(2,3,5,6-tetradeuterio-4-naphthalen-1-ylphenyl)naphthalen-1-amine is sourced from PubChem (CID 171451497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).