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

C50H35N — CID 171452970

IUPACN-[4-(3-naphthalen-1-ylphenyl)phenyl]-N-[2,3,5,6-tetradeuterio-4-(3-phenylphenyl)phenyl]naphthalen-1-amine
SMILES[2H]c1c([2H])c(N(c2ccc(-c3cccc(-c4cccc5ccccc45)c3)cc2)c2cccc3ccccc23)c([2H])c([2H])c1-c1cccc(-c2ccccc2)c1
InChIInChI=1S/C50H35N/c1-2-12-36(13-3-1)41-18-8-19-42(34-41)37-26-30-45(31-27-37)51(50-25-11-17-40-15-5-7-23-49(40)50)46-32-28-38(29-33-46)43-20-9-21-44(35-43)48-24-10-16-39-14-4-6-22-47(39)48/h1-35H/i26D,27D,30D,31D
InChIKeyVIUBTVOEFNZOOP-QIJGNLRCSA-N
MW653.86 g/mol
LogP14.13
Rot. Bonds7

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

N-[4-(3-naphthalen-1-ylphenyl)phenyl]-N-[2,3,5,6-tetradeuterio-4-(3-phenylphenyl)phenyl]naphthalen-1-amine (PubChem CID 171452970) has the molecular formula C50H35N and a molecular weight of 653.86 g/mol. Its IUPAC name is N-[4-(3-naphthalen-1-ylphenyl)phenyl]-N-[2,3,5,6-tetradeuterio-4-(3-phenylphenyl)phenyl]naphthalen-1-amine.

Molecular Properties

Compound NameN-[4-(3-naphthalen-1-ylphenyl)phenyl]-N-[2,3,5,6-tetradeuterio-4-(3-phenylphenyl)phenyl]naphthalen-1-amine
PubChem CID171452970
Molecular FormulaC50H35N
Molecular Weight653.86 g/mol
Exact Mass653.30
IUPAC NameN-[4-(3-naphthalen-1-ylphenyl)phenyl]-N-[2,3,5,6-tetradeuterio-4-(3-phenylphenyl)phenyl]naphthalen-1-amine
SMILES[2H]c1c([2H])c(N(c2ccc(-c3cccc(-c4cccc5ccccc45)c3)cc2)c2cccc3ccccc23)c([2H])c([2H])c1-c1cccc(-c2ccccc2)c1
InChIInChI=1S/C50H35N/c1-2-12-36(13-3-1)41-18-8-19-42(34-41)37-26-30-45(31-27-37)51(50-25-11-17-40-15-5-7-23-49(40)50)46-32-28-38(29-33-46)43-20-9-21-44(35-43)48-24-10-16-39-14-4-6-22-47(39)48/h1-35H/i26D,27D,30D,31D
InChIKeyVIUBTVOEFNZOOP-QIJGNLRCSA-N
XLogP14.13
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500653.86
LogP ≤ 514.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N-[4-(3-phenylphenyl)phenyl]-N-[2,3,5,6-tetradeuterio-4-(3-naphthalen-1-ylphenyl)phenyl]naphthalen-1-amine
CID 171451825
2,3,5,6-tetradeuterio-N-[4-(3-naphthalen-1-ylphenyl)phenyl]-4-(3-phenylphenyl)-N-[2,3,5,6-tetradeuterio-4-(3-phenylphenyl)phenyl]aniline
CID 171452182
2,3,5,6-tetradeuterio-N-(4-naphthalen-1-ylphenyl)-N-[4-(3-naphthalen-1-ylphenyl)phenyl]-4-(4-phenylphenyl)aniline
CID 171451005
2,3,5,6-tetradeuterio-N-[4-(3,5-diphenylphenyl)phenyl]-4-phenyl-N-[2,3,5,6-tetradeuterio-4-(3-naphthalen-1-ylphenyl)phenyl]aniline
CID 171451662
2,3,5,6-tetradeuterio-4-phenyl-N-(2-phenylphenyl)-N-[2,3,5,6-tetradeuterio-4-(3-naphthalen-1-ylphenyl)phenyl]aniline
CID 171452550
2,3,5,6-tetradeuterio-4-(3-naphthalen-1-ylphenyl)-N-(2-phenylphenyl)-N-[2,3,5,6-tetradeuterio-4-(3-phenylphenyl)phenyl]aniline
CID 171451055
2,3,5,6-tetradeuterio-N-[4-(3-naphthalen-1-ylphenyl)phenyl]-N-(2-phenylphenyl)-4-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]aniline
CID 171452396
2,3,5,6-tetradeuterio-N-(3-naphthalen-1-ylphenyl)-4-(3-phenylphenyl)-N-(4-phenylphenyl)aniline
CID 171452161
2,3,5,6-tetradeuterio-4-(3-naphthalen-1-ylphenyl)-N-(4-phenylphenyl)-N-[2,3,5,6-tetradeuterio-4-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]phenyl]aniline
CID 171451835
2,3,5,6-tetradeuterio-4-(3-naphthalen-1-ylphenyl)-N-(4-phenylphenyl)-N-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]aniline
CID 171451520
2,3,5,6-tetradeuterio-N-[4-(3-naphthalen-1-ylphenyl)phenyl]-4-(3-phenylphenyl)-N-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]aniline
CID 171451925
2,3,5,6-tetradeuterio-4-(3-naphthalen-1-ylphenyl)-N-[4-(4-phenylphenyl)phenyl]-N-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]aniline
CID 171451752

Frequently Asked Questions

What is the IUPAC name of N-[4-(3-naphthalen-1-ylphenyl)phenyl]-N-[2,3,5,6-tetradeuterio-4-(3-phenylphenyl)phenyl]naphthalen-1-amine?
The IUPAC name of N-[4-(3-naphthalen-1-ylphenyl)phenyl]-N-[2,3,5,6-tetradeuterio-4-(3-phenylphenyl)phenyl]naphthalen-1-amine (CID 171452970) is N-[4-(3-naphthalen-1-ylphenyl)phenyl]-N-[2,3,5,6-tetradeuterio-4-(3-phenylphenyl)phenyl]naphthalen-1-amine.
What is the SMILES notation for N-[4-(3-naphthalen-1-ylphenyl)phenyl]-N-[2,3,5,6-tetradeuterio-4-(3-phenylphenyl)phenyl]naphthalen-1-amine?
The canonical SMILES for N-[4-(3-naphthalen-1-ylphenyl)phenyl]-N-[2,3,5,6-tetradeuterio-4-(3-phenylphenyl)phenyl]naphthalen-1-amine is [2H]c1c([2H])c(N(c2ccc(-c3cccc(-c4cccc5ccccc45)c3)cc2)c2cccc3ccccc23)c([2H])c([2H])c1-c1cccc(-c2ccccc2)c1.
What is the InChIKey of N-[4-(3-naphthalen-1-ylphenyl)phenyl]-N-[2,3,5,6-tetradeuterio-4-(3-phenylphenyl)phenyl]naphthalen-1-amine?
The InChIKey is VIUBTVOEFNZOOP-QIJGNLRCSA-N. The full InChI is InChI=1S/C50H35N/c1-2-12-36(13-3-1)41-18-8-19-42(34-41)37-26-30-45(31-27-37)51(50-25-11-17-40-15-5-7-23-49(40)50)46-32-28-38(29-33-46)43-20-9-21-44(35-43)48-24-10-16-39-14-4-6-22-47(39)48/h1-35H/i26D,27D,30D,31D.
What are the key properties of N-[4-(3-naphthalen-1-ylphenyl)phenyl]-N-[2,3,5,6-tetradeuterio-4-(3-phenylphenyl)phenyl]naphthalen-1-amine?
N-[4-(3-naphthalen-1-ylphenyl)phenyl]-N-[2,3,5,6-tetradeuterio-4-(3-phenylphenyl)phenyl]naphthalen-1-amine has a molecular weight of 653.86 g/mol, XLogP of 14.13, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3-naphthalen-1-ylphenyl)phenyl]-N-[2,3,5,6-tetradeuterio-4-(3-phenylphenyl)phenyl]naphthalen-1-amine is sourced from PubChem (CID 171452970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).