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

C38H27N — CID 171450965

IUPACN-(2,3,4,6-tetradeuterio-5-naphthalen-2-ylphenyl)-N-(2,3,5,6-tetradeuterio-4-phenylphenyl)naphthalen-1-amine
SMILES[2H]c1c([2H])c(-c2ccc3ccccc3c2)c([2H])c(N(c2c([2H])c([2H])c(-c3ccccc3)c([2H])c2[2H])c2cccc3ccccc23)c1[2H]
InChIInChI=1S/C38H27N/c1-2-10-28(11-3-1)30-22-24-35(25-23-30)39(38-19-9-15-31-13-6-7-18-37(31)38)36-17-8-16-33(27-36)34-21-20-29-12-4-5-14-32(29)26-34/h1-27H/i8D,16D,17D,22D,23D,24D,25D,27D
InChIKeyLGOZJIDKWQJZNN-ZFZKZBCFSA-N
MW505.69 g/mol
LogP10.80
Rot. Bonds5

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

N-(2,3,4,6-tetradeuterio-5-naphthalen-2-ylphenyl)-N-(2,3,5,6-tetradeuterio-4-phenylphenyl)naphthalen-1-amine (PubChem CID 171450965) has the molecular formula C38H27N and a molecular weight of 505.69 g/mol. Its IUPAC name is N-(2,3,4,6-tetradeuterio-5-naphthalen-2-ylphenyl)-N-(2,3,5,6-tetradeuterio-4-phenylphenyl)naphthalen-1-amine.

Molecular Properties

Compound NameN-(2,3,4,6-tetradeuterio-5-naphthalen-2-ylphenyl)-N-(2,3,5,6-tetradeuterio-4-phenylphenyl)naphthalen-1-amine
PubChem CID171450965
Molecular FormulaC38H27N
Molecular Weight505.69 g/mol
Exact Mass505.26
IUPAC NameN-(2,3,4,6-tetradeuterio-5-naphthalen-2-ylphenyl)-N-(2,3,5,6-tetradeuterio-4-phenylphenyl)naphthalen-1-amine
SMILES[2H]c1c([2H])c(-c2ccc3ccccc3c2)c([2H])c(N(c2c([2H])c([2H])c(-c3ccccc3)c([2H])c2[2H])c2cccc3ccccc23)c1[2H]
InChIInChI=1S/C38H27N/c1-2-10-28(11-3-1)30-22-24-35(25-23-30)39(38-19-9-15-31-13-6-7-18-37(31)38)36-17-8-16-33(27-36)34-21-20-29-12-4-5-14-32(29)26-34/h1-27H/i8D,16D,17D,22D,23D,24D,25D,27D
InChIKeyLGOZJIDKWQJZNN-ZFZKZBCFSA-N
XLogP10.80
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500505.69
LogP ≤ 510.80
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-(4-phenylphenyl)-N-(2,3,4,6-tetradeuterio-5-naphthalen-2-ylphenyl)naphthalen-1-amine
CID 171452805
N-phenyl-N-(2,3,4,6-tetradeuterio-5-naphthalen-2-ylphenyl)naphthalen-1-amine
CID 171452429
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-(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-(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-(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-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
2,3,4,6-tetradeuterio-N-[4-(3,5-diphenylphenyl)phenyl]-5-naphthalen-2-yl-N-(2,3,5,6-tetradeuterio-4-phenylphenyl)aniline
CID 171452622
2,3,4,6-tetradeuterio-N-[4-(3,5-diphenylphenyl)phenyl]-5-naphthalen-2-yl-N-[2,3,5,6-tetradeuterio-4-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]phenyl]aniline
CID 171452863
2,3,4,5,6,7,8-heptadeuterio-N-(2,3,4,6-tetradeuterio-5-naphthalen-2-ylphenyl)-N-[2,3,5,6-tetradeuterio-4-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]phenyl]naphthalen-1-amine
CID 171452478
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

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-phenylphenyl)naphthalen-1-amine?
The IUPAC name of N-(2,3,4,6-tetradeuterio-5-naphthalen-2-ylphenyl)-N-(2,3,5,6-tetradeuterio-4-phenylphenyl)naphthalen-1-amine (CID 171450965) is N-(2,3,4,6-tetradeuterio-5-naphthalen-2-ylphenyl)-N-(2,3,5,6-tetradeuterio-4-phenylphenyl)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-phenylphenyl)naphthalen-1-amine?
The canonical SMILES for N-(2,3,4,6-tetradeuterio-5-naphthalen-2-ylphenyl)-N-(2,3,5,6-tetradeuterio-4-phenylphenyl)naphthalen-1-amine is [2H]c1c([2H])c(-c2ccc3ccccc3c2)c([2H])c(N(c2c([2H])c([2H])c(-c3ccccc3)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-phenylphenyl)naphthalen-1-amine?
The InChIKey is LGOZJIDKWQJZNN-ZFZKZBCFSA-N. The full InChI is InChI=1S/C38H27N/c1-2-10-28(11-3-1)30-22-24-35(25-23-30)39(38-19-9-15-31-13-6-7-18-37(31)38)36-17-8-16-33(27-36)34-21-20-29-12-4-5-14-32(29)26-34/h1-27H/i8D,16D,17D,22D,23D,24D,25D,27D.
What are the key properties of N-(2,3,4,6-tetradeuterio-5-naphthalen-2-ylphenyl)-N-(2,3,5,6-tetradeuterio-4-phenylphenyl)naphthalen-1-amine?
N-(2,3,4,6-tetradeuterio-5-naphthalen-2-ylphenyl)-N-(2,3,5,6-tetradeuterio-4-phenylphenyl)naphthalen-1-amine has a molecular weight of 505.69 g/mol, XLogP of 10.80, 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-phenylphenyl)naphthalen-1-amine is sourced from PubChem (CID 171450965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).