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

C66H45N — CID 172526883

IUPAC2,3,5,6-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
SMILES[2H]c1c([2H])c(N(c2ccc(-c3cccc(-c4ccc5ccccc5c4)c3)cc2)c2c([2H])c([2H])c(-c3c(-c4ccccc4)ccc4ccccc34)c([2H])c2[2H])c([2H])c([2H])c1-c1ccc(-c2ccc3ccccc3c2)cc1
InChIInChI=1S/C66H45N/c1-2-13-52(14-3-1)65-42-35-53-15-8-9-20-64(53)66(65)54-33-40-63(41-34-54)67(61-36-29-49(30-37-61)48-21-23-50(24-22-48)59-27-25-46-11-4-6-16-55(46)44-59)62-38-31-51(32-39-62)57-18-10-19-58(43-57)60-28-26-47-12-5-7-17-56(47)45-60/h1-45H/i29D,30D,33D,34D,36D,37D,40D,41D
InChIKeyFKYUPIMJAFVHBL-DDPZQUCHSA-N
MW860.14 g/mol
LogP18.62
Rot. Bonds9

About 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

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 (PubChem CID 172526883) has the molecular formula C66H45N and a molecular weight of 860.14 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2,3,5,6-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
PubChem CID172526883
Molecular FormulaC66H45N
Molecular Weight860.14 g/mol
Exact Mass859.41
IUPAC Name2,3,5,6-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
SMILES[2H]c1c([2H])c(N(c2ccc(-c3cccc(-c4ccc5ccccc5c4)c3)cc2)c2c([2H])c([2H])c(-c3c(-c4ccccc4)ccc4ccccc34)c([2H])c2[2H])c([2H])c([2H])c1-c1ccc(-c2ccc3ccccc3c2)cc1
InChIInChI=1S/C66H45N/c1-2-13-52(14-3-1)65-42-35-53-15-8-9-20-64(53)66(65)54-33-40-63(41-34-54)67(61-36-29-49(30-37-61)48-21-23-50(24-22-48)59-27-25-46-11-4-6-16-55(46)44-59)62-38-31-51(32-39-62)57-18-10-19-58(43-57)60-28-26-47-12-5-7-17-56(47)45-60/h1-45H/i29D,30D,33D,34D,36D,37D,40D,41D
InChIKeyFKYUPIMJAFVHBL-DDPZQUCHSA-N
XLogP18.62
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms67
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500860.14
LogP ≤ 518.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 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 with MolForge

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Related Compounds

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-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
N-[2,3,5,6-tetradeuterio-4-(2-phenylnaphthalen-1-yl)phenyl]-N-[2,3,5,6-tetradeuterio-4-(3-phenylphenyl)phenyl]naphthalen-2-amine
CID 172527440
2,3,5,6-tetradeuterio-N-(4-naphthalen-2-ylphenyl)-4-phenyl-N-[2,3,5,6-tetradeuterio-4-(1-phenylnaphthalen-2-yl)phenyl]aniline
CID 172527288
2,3,5,6-tetradeuterio-N-phenyl-N-[4-(1-phenylnaphthalen-2-yl)phenyl]-4-(3-phenylphenyl)aniline
CID 172527065
2,3,5,6-tetradeuterio-N-(4-naphthalen-2-ylphenyl)-4-(2,3,4,5,6-pentadeuteriophenyl)-N-[2,3,5,6-tetradeuterio-4-(2-phenylnaphthalen-1-yl)phenyl]aniline
CID 172527207
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-1-ylphenyl)-N-[4-(2-phenylnaphthalen-1-yl)phenyl]-4-(3-phenylphenyl)aniline
CID 172527032
2,3,5,6-tetradeuterio-4-(4-naphthalen-2-ylphenyl)-N-(2,3,5,6-tetradeuterio-4-phenanthren-2-ylphenyl)-N-[2,3,5,6-tetradeuterio-4-(2-phenylnaphthalen-1-yl)phenyl]aniline
CID 172527229
N-[4-[3-[3-[4-[4-[4-(4-naphthalen-2-ylphenyl)-N-[4-(1-phenylnaphthalen-2-yl)phenyl]anilino]phenyl]phenyl]phenyl]phenyl]phenyl]-4-phenyl-N-[4-(1-phenylnaphthalen-2-yl)phenyl]aniline
CID 167265702

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is [2H]c1c([2H])c(N(c2ccc(-c3cccc(-c4ccc5ccccc5c4)c3)cc2)c2c([2H])c([2H])c(-c3c(-c4ccccc4)ccc4ccccc34)c([2H])c2[2H])c([2H])c([2H])c1-c1ccc(-c2ccc3ccccc3c2)cc1.
What is the InChIKey of 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?
The InChIKey is FKYUPIMJAFVHBL-DDPZQUCHSA-N. The full InChI is InChI=1S/C66H45N/c1-2-13-52(14-3-1)65-42-35-53-15-8-9-20-64(53)66(65)54-33-40-63(41-34-54)67(61-36-29-49(30-37-61)48-21-23-50(24-22-48)59-27-25-46-11-4-6-16-55(46)44-59)62-38-31-51(32-39-62)57-18-10-19-58(43-57)60-28-26-47-12-5-7-17-56(47)45-60/h1-45H/i29D,30D,33D,34D,36D,37D,40D,41D.
What are the key properties of 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?
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 has a molecular weight of 860.14 g/mol, XLogP of 18.62, 9 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-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 is sourced from PubChem (CID 172526883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).