2,3,5,6-tetradeuterio-N-phenyl-N-[4-(1-phenylnaphthalen-2-yl)phenyl]-4-(3-phenylphenyl)aniline

C46H33N — CID 172527065

IUPAC2,3,5,6-tetradeuterio-N-phenyl-N-[4-(1-phenylnaphthalen-2-yl)phenyl]-4-(3-phenylphenyl)aniline
SMILES[2H]c1c([2H])c(N(c2ccccc2)c2ccc(-c3ccc4ccccc4c3-c3ccccc3)cc2)c([2H])c([2H])c1-c1cccc(-c2ccccc2)c1
InChIInChI=1S/C46H33N/c1-4-13-34(14-5-1)39-18-12-19-40(33-39)35-23-28-42(29-24-35)47(41-20-8-3-9-21-41)43-30-25-37(26-31-43)45-32-27-36-15-10-11-22-44(36)46(45)38-16-6-2-7-17-38/h1-33H/i23D,24D,28D,29D
InChIKeyWDWYKSQOYIZPBJ-DEUXTEAASA-N
MW603.80 g/mol
LogP12.98
Rot. Bonds7

About 2,3,5,6-tetradeuterio-N-phenyl-N-[4-(1-phenylnaphthalen-2-yl)phenyl]-4-(3-phenylphenyl)aniline

2,3,5,6-tetradeuterio-N-phenyl-N-[4-(1-phenylnaphthalen-2-yl)phenyl]-4-(3-phenylphenyl)aniline (PubChem CID 172527065) has the molecular formula C46H33N and a molecular weight of 603.80 g/mol. Its IUPAC name is 2,3,5,6-tetradeuterio-N-phenyl-N-[4-(1-phenylnaphthalen-2-yl)phenyl]-4-(3-phenylphenyl)aniline.

Molecular Properties

Compound Name2,3,5,6-tetradeuterio-N-phenyl-N-[4-(1-phenylnaphthalen-2-yl)phenyl]-4-(3-phenylphenyl)aniline
PubChem CID172527065
Molecular FormulaC46H33N
Molecular Weight603.80 g/mol
Exact Mass603.29
IUPAC Name2,3,5,6-tetradeuterio-N-phenyl-N-[4-(1-phenylnaphthalen-2-yl)phenyl]-4-(3-phenylphenyl)aniline
SMILES[2H]c1c([2H])c(N(c2ccccc2)c2ccc(-c3ccc4ccccc4c3-c3ccccc3)cc2)c([2H])c([2H])c1-c1cccc(-c2ccccc2)c1
InChIInChI=1S/C46H33N/c1-4-13-34(14-5-1)39-18-12-19-40(33-39)35-23-28-42(29-24-35)47(41-20-8-3-9-21-41)43-30-25-37(26-31-43)45-32-27-36-15-10-11-22-44(36)46(45)38-16-6-2-7-17-38/h1-33H/i23D,24D,28D,29D
InChIKeyWDWYKSQOYIZPBJ-DEUXTEAASA-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-naphthalen-1-ylphenyl)-N-[4-(2-phenylnaphthalen-1-yl)phenyl]-4-(3-phenylphenyl)aniline
CID 172527032
2,3,5,6-tetradeuterio-N-[4-(3-naphthalen-2-ylphenyl)phenyl]-N-[4-(1-phenylnaphthalen-2-yl)phenyl]-4-(3-phenylphenyl)aniline
CID 172527560
2,3,5,6-tetradeuterio-N-(4-naphthalen-2-ylphenyl)-N-[4-(2-phenylnaphthalen-1-yl)phenyl]-4-(3-phenylphenyl)aniline
CID 172527741
2,3,5,6-tetradeuterio-4-(4-naphthalen-2-ylphenyl)-N-[4-(3-naphthalen-2-ylphenyl)phenyl]-N-[2,3,5,6-tetradeuterio-4-(2-phenylnaphthalen-1-yl)phenyl]aniline
CID 172526883
2,3,5,6-tetradeuterio-N-[4-(3-naphthalen-1-ylphenyl)phenyl]-4-(3-phenylphenyl)-N-[2,3,5,6-tetradeuterio-4-(2-phenylnaphthalen-1-yl)phenyl]aniline
CID 172527834
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
2,3,5,6-tetradeuterio-4-(4-naphthalen-2-ylphenyl)-N-[4-(2-phenylnaphthalen-1-yl)phenyl]-N-(2,3,5,6-tetradeuterio-4-naphthalen-2-ylphenyl)aniline
CID 172527082
2,3,5,6-tetradeuterio-4-(3,4-diphenylphenyl)-N-[4-(3,4-diphenylphenyl)phenyl]-N-[4-(2-phenylnaphthalen-1-yl)phenyl]aniline
CID 172527554
2,3,5,6-tetradeuterio-N-[4-(3,4-diphenylphenyl)phenyl]-4-phenyl-N-[2,3,5,6-tetradeuterio-4-(2-phenylnaphthalen-1-yl)phenyl]aniline
CID 172526849
2,3,5,6-tetradeuterio-4-phenyl-N-[4-(1-phenylnaphthalen-2-yl)phenyl]-N-(2,3,5,6-tetradeuterio-4-phenanthren-2-ylphenyl)aniline
CID 172527858
2,3,5,6-tetradeuterio-4-(3,4-diphenylphenyl)-N-(4-phenylphenyl)-N-[2,3,5,6-tetradeuterio-4-(1-phenylnaphthalen-2-yl)phenyl]aniline
CID 172527971
2,3,5,6-tetradeuterio-N-(4-naphthalen-1-ylphenyl)-4-phenyl-N-[4-(2-phenylnaphthalen-1-yl)phenyl]aniline
CID 172526894

Frequently Asked Questions

What is the IUPAC name of 2,3,5,6-tetradeuterio-N-phenyl-N-[4-(1-phenylnaphthalen-2-yl)phenyl]-4-(3-phenylphenyl)aniline?
The IUPAC name of 2,3,5,6-tetradeuterio-N-phenyl-N-[4-(1-phenylnaphthalen-2-yl)phenyl]-4-(3-phenylphenyl)aniline (CID 172527065) is 2,3,5,6-tetradeuterio-N-phenyl-N-[4-(1-phenylnaphthalen-2-yl)phenyl]-4-(3-phenylphenyl)aniline.
What is the SMILES notation for 2,3,5,6-tetradeuterio-N-phenyl-N-[4-(1-phenylnaphthalen-2-yl)phenyl]-4-(3-phenylphenyl)aniline?
The canonical SMILES for 2,3,5,6-tetradeuterio-N-phenyl-N-[4-(1-phenylnaphthalen-2-yl)phenyl]-4-(3-phenylphenyl)aniline is [2H]c1c([2H])c(N(c2ccccc2)c2ccc(-c3ccc4ccccc4c3-c3ccccc3)cc2)c([2H])c([2H])c1-c1cccc(-c2ccccc2)c1.
What is the InChIKey of 2,3,5,6-tetradeuterio-N-phenyl-N-[4-(1-phenylnaphthalen-2-yl)phenyl]-4-(3-phenylphenyl)aniline?
The InChIKey is WDWYKSQOYIZPBJ-DEUXTEAASA-N. The full InChI is InChI=1S/C46H33N/c1-4-13-34(14-5-1)39-18-12-19-40(33-39)35-23-28-42(29-24-35)47(41-20-8-3-9-21-41)43-30-25-37(26-31-43)45-32-27-36-15-10-11-22-44(36)46(45)38-16-6-2-7-17-38/h1-33H/i23D,24D,28D,29D.
What are the key properties of 2,3,5,6-tetradeuterio-N-phenyl-N-[4-(1-phenylnaphthalen-2-yl)phenyl]-4-(3-phenylphenyl)aniline?
2,3,5,6-tetradeuterio-N-phenyl-N-[4-(1-phenylnaphthalen-2-yl)phenyl]-4-(3-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-phenyl-N-[4-(1-phenylnaphthalen-2-yl)phenyl]-4-(3-phenylphenyl)aniline is sourced from PubChem (CID 172527065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).