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

C46H33N — CID 171451569

IUPAC2,3,5,6-tetradeuterio-N-[4-(3-naphthalen-2-ylphenyl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
SMILES[2H]c1c([2H])c(N(c2ccc(-c3ccccc3)cc2)c2ccc(-c3cccc(-c4ccc5ccccc5c4)c3)cc2)c([2H])c([2H])c1-c1ccccc1
InChIInChI=1S/C46H33N/c1-3-10-34(11-4-1)37-20-26-44(27-21-37)47(45-28-22-38(23-29-45)35-12-5-2-6-13-35)46-30-24-39(25-31-46)41-16-9-17-42(32-41)43-19-18-36-14-7-8-15-40(36)33-43/h1-33H/i20D,21D,26D,27D
InChIKeyUCXDDUYTCJKWHP-OTULHJNSSA-N
MW603.80 g/mol
LogP12.98
Rot. Bonds7

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

2,3,5,6-tetradeuterio-N-[4-(3-naphthalen-2-ylphenyl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline (PubChem CID 171451569) has the molecular formula C46H33N and a molecular weight of 603.80 g/mol. Its IUPAC name is 2,3,5,6-tetradeuterio-N-[4-(3-naphthalen-2-ylphenyl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline.

Molecular Properties

Compound Name2,3,5,6-tetradeuterio-N-[4-(3-naphthalen-2-ylphenyl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
PubChem CID171451569
Molecular FormulaC46H33N
Molecular Weight603.80 g/mol
Exact Mass603.29
IUPAC Name2,3,5,6-tetradeuterio-N-[4-(3-naphthalen-2-ylphenyl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
SMILES[2H]c1c([2H])c(N(c2ccc(-c3ccccc3)cc2)c2ccc(-c3cccc(-c4ccc5ccccc5c4)c3)cc2)c([2H])c([2H])c1-c1ccccc1
InChIInChI=1S/C46H33N/c1-3-10-34(11-4-1)37-20-26-44(27-21-37)47(45-28-22-38(23-29-45)35-12-5-2-6-13-35)46-30-24-39(25-31-46)41-16-9-17-42(32-41)43-19-18-36-14-7-8-15-40(36)33-43/h1-33H/i20D,21D,26D,27D
InChIKeyUCXDDUYTCJKWHP-OTULHJNSSA-N
XLogP12.98
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500603.80
LogP ≤ 512.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2,3,5,6-tetradeuterio-N-[4-(3-naphthalen-2-ylphenyl)phenyl]-4-(4-phenylphenyl)-N-[2,3,5,6-tetradeuterio-4-(4-phenylphenyl)phenyl]aniline
CID 171450984
2,3,5,6-tetradeuterio-4-(3-naphthalen-2-ylphenyl)-N-[4-(3-phenylphenyl)phenyl]-N-[2,3,5,6-tetradeuterio-4-(3-phenylphenyl)phenyl]aniline
CID 171452869
2,3,5,6-tetradeuterio-4-(3-naphthalen-2-ylphenyl)-N-(4-phenylphenyl)-N-[4-(3-phenylphenyl)phenyl]aniline
CID 171452632
2,3,5,6-tetradeuterio-N-(3-naphthalen-2-ylphenyl)-4-(3-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]aniline
CID 171451451
2,3,5,6-tetradeuterio-N-[4-(3-naphthalen-2-ylphenyl)phenyl]-N-(4-phenylphenyl)-4-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]aniline
CID 171451790
2,3,5,6-tetradeuterio-4-(3-naphthalen-2-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 171452428
2,3,5,6-tetradeuterio-N-[4-(3-naphthalen-2-ylphenyl)phenyl]-4-(2,3,4,5,6-pentadeuteriophenyl)-N-[4-(3-phenylphenyl)phenyl]aniline
CID 171451879
2,3,5,6-tetradeuterio-N-(3-naphthalen-2-ylphenyl)-4-(3-phenylphenyl)-N-[2,3,5,6-tetradeuterio-4-(3-phenylphenyl)phenyl]aniline
CID 171451860
2,3,5,6-tetradeuterio-N-(3-naphthalen-2-ylphenyl)-4-(4-phenylphenyl)-N-[2,3,5,6-tetradeuterio-4-(3,5-diphenylphenyl)phenyl]aniline
CID 171452808
2,3,5,6-tetradeuterio-N,N-bis(3-naphthalen-2-ylphenyl)-4-phenylaniline
CID 171452131
2,3,5,6-tetradeuterio-N-(3-naphthalen-2-ylphenyl)-4-(4-phenylphenyl)-N-[2,3,5,6-tetradeuterio-4-(4-phenylphenyl)phenyl]aniline
CID 171451196
2,3,5,6-tetradeuterio-N-(4-naphthalen-2-ylphenyl)-4-(1-phenylnaphthalen-2-yl)-N-[2,3,5,6-tetradeuterio-4-(3-phenylphenyl)phenyl]aniline
CID 172526902

Frequently Asked Questions

What is the IUPAC name of 2,3,5,6-tetradeuterio-N-[4-(3-naphthalen-2-ylphenyl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline?
The IUPAC name of 2,3,5,6-tetradeuterio-N-[4-(3-naphthalen-2-ylphenyl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline (CID 171451569) is 2,3,5,6-tetradeuterio-N-[4-(3-naphthalen-2-ylphenyl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline.
What is the SMILES notation for 2,3,5,6-tetradeuterio-N-[4-(3-naphthalen-2-ylphenyl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline?
The canonical SMILES for 2,3,5,6-tetradeuterio-N-[4-(3-naphthalen-2-ylphenyl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline is [2H]c1c([2H])c(N(c2ccc(-c3ccccc3)cc2)c2ccc(-c3cccc(-c4ccc5ccccc5c4)c3)cc2)c([2H])c([2H])c1-c1ccccc1.
What is the InChIKey of 2,3,5,6-tetradeuterio-N-[4-(3-naphthalen-2-ylphenyl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline?
The InChIKey is UCXDDUYTCJKWHP-OTULHJNSSA-N. The full InChI is InChI=1S/C46H33N/c1-3-10-34(11-4-1)37-20-26-44(27-21-37)47(45-28-22-38(23-29-45)35-12-5-2-6-13-35)46-30-24-39(25-31-46)41-16-9-17-42(32-41)43-19-18-36-14-7-8-15-40(36)33-43/h1-33H/i20D,21D,26D,27D.
What are the key properties of 2,3,5,6-tetradeuterio-N-[4-(3-naphthalen-2-ylphenyl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline?
2,3,5,6-tetradeuterio-N-[4-(3-naphthalen-2-ylphenyl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline has a molecular weight of 603.80 g/mol, XLogP of 12.98, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,5,6-tetradeuterio-N-[4-(3-naphthalen-2-ylphenyl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline is sourced from PubChem (CID 171451569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).