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

C50H35N — CID 171452175

IUPAC2,3,5,6-tetradeuterio-4-naphthalen-2-yl-N-(3-naphthalen-2-ylphenyl)-N-[2,3,5,6-tetradeuterio-4-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]phenyl]aniline
SMILES[2H]c1c([2H])c([2H])c(-c2c([2H])c([2H])c(-c3c([2H])c([2H])c(N(c4cccc(-c5ccc6ccccc6c5)c4)c4c([2H])c([2H])c(-c5ccc6ccccc6c5)c([2H])c4[2H])c([2H])c3[2H])c([2H])c2[2H])c([2H])c1[2H]
InChIInChI=1S/C50H35N/c1-2-9-36(10-3-1)39-17-19-40(20-18-39)41-25-29-48(30-26-41)51(49-31-27-42(28-32-49)46-23-21-37-11-4-6-13-43(37)33-46)50-16-8-15-45(35-50)47-24-22-38-12-5-7-14-44(38)34-47/h1-35H/i1D,2D,3D,9D,10D,17D,18D,19D,20D,25D,26D,27D,28D,29D,30D,31D,32D
InChIKeyGKIZDDRTRPIOMI-BXWHGOSUSA-N
MW666.94 g/mol
LogP14.13
Rot. Bonds7

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

2,3,5,6-tetradeuterio-4-naphthalen-2-yl-N-(3-naphthalen-2-ylphenyl)-N-[2,3,5,6-tetradeuterio-4-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]phenyl]aniline (PubChem CID 171452175) has the molecular formula C50H35N and a molecular weight of 666.94 g/mol. Its IUPAC name is 2,3,5,6-tetradeuterio-4-naphthalen-2-yl-N-(3-naphthalen-2-ylphenyl)-N-[2,3,5,6-tetradeuterio-4-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]phenyl]aniline.

Molecular Properties

Compound Name2,3,5,6-tetradeuterio-4-naphthalen-2-yl-N-(3-naphthalen-2-ylphenyl)-N-[2,3,5,6-tetradeuterio-4-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]phenyl]aniline
PubChem CID171452175
Molecular FormulaC50H35N
Molecular Weight666.94 g/mol
Exact Mass666.38
IUPAC Name2,3,5,6-tetradeuterio-4-naphthalen-2-yl-N-(3-naphthalen-2-ylphenyl)-N-[2,3,5,6-tetradeuterio-4-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]phenyl]aniline
SMILES[2H]c1c([2H])c([2H])c(-c2c([2H])c([2H])c(-c3c([2H])c([2H])c(N(c4cccc(-c5ccc6ccccc6c5)c4)c4c([2H])c([2H])c(-c5ccc6ccccc6c5)c([2H])c4[2H])c([2H])c3[2H])c([2H])c2[2H])c([2H])c1[2H]
InChIInChI=1S/C50H35N/c1-2-9-36(10-3-1)39-17-19-40(20-18-39)41-25-29-48(30-26-41)51(49-31-27-42(28-32-49)46-23-21-37-11-4-6-13-43(37)33-46)50-16-8-15-45(35-50)47-24-22-38-12-5-7-14-44(38)34-47/h1-35H/i1D,2D,3D,9D,10D,17D,18D,19D,20D,25D,26D,27D,28D,29D,30D,31D,32D
InChIKeyGKIZDDRTRPIOMI-BXWHGOSUSA-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 ≤ 500666.94
LogP ≤ 514.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 2,3,5,6-tetradeuterio-4-naphthalen-2-yl-N-(3-naphthalen-2-ylphenyl)-N-[2,3,5,6-tetradeuterio-4-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]phenyl]aniline with MolForge

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Related Compounds

2,3,5,6-tetradeuterio-N,N-bis(3-naphthalen-2-ylphenyl)-4-(2,3,4,5,6-pentadeuteriophenyl)aniline
CID 171451372
2,3,5,6-tetradeuterio-N-(3-naphthalen-2-ylphenyl)-N-(4-naphthalen-2-ylphenyl)-4-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]aniline
CID 171451203
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-(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-[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-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]-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-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-(3-naphthalen-2-ylphenyl)-4-(3-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]aniline
CID 171451451
2,3,5,6-tetradeuterio-N-(3-naphthalen-2-ylphenyl)-4-(4-phenylphenyl)-N-(2,3,5,6-tetradeuterio-4-phenanthren-2-ylphenyl)aniline
CID 171450906
2,3,5,6-tetradeuterio-N,N-bis(3-phenanthren-9-ylphenyl)-4-(4-phenylphenyl)aniline;2,3,5,6-tetradeuterio-4-naphthalen-1-yl-N,N-bis(3-phenanthren-9-ylphenyl)aniline;2,3,5,6-tetradeuterio-4-naphthalen-2-yl-N,N-bis(3-phenanthren-9-ylphenyl)aniline;2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)-N,N-bis(3-phenanthren-9-ylphenyl)aniline
CID 163575939

Frequently Asked Questions

What is the IUPAC name of 2,3,5,6-tetradeuterio-4-naphthalen-2-yl-N-(3-naphthalen-2-ylphenyl)-N-[2,3,5,6-tetradeuterio-4-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]phenyl]aniline?
The IUPAC name of 2,3,5,6-tetradeuterio-4-naphthalen-2-yl-N-(3-naphthalen-2-ylphenyl)-N-[2,3,5,6-tetradeuterio-4-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]phenyl]aniline (CID 171452175) is 2,3,5,6-tetradeuterio-4-naphthalen-2-yl-N-(3-naphthalen-2-ylphenyl)-N-[2,3,5,6-tetradeuterio-4-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]phenyl]aniline.
What is the SMILES notation for 2,3,5,6-tetradeuterio-4-naphthalen-2-yl-N-(3-naphthalen-2-ylphenyl)-N-[2,3,5,6-tetradeuterio-4-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]phenyl]aniline?
The canonical SMILES for 2,3,5,6-tetradeuterio-4-naphthalen-2-yl-N-(3-naphthalen-2-ylphenyl)-N-[2,3,5,6-tetradeuterio-4-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]phenyl]aniline is [2H]c1c([2H])c([2H])c(-c2c([2H])c([2H])c(-c3c([2H])c([2H])c(N(c4cccc(-c5ccc6ccccc6c5)c4)c4c([2H])c([2H])c(-c5ccc6ccccc6c5)c([2H])c4[2H])c([2H])c3[2H])c([2H])c2[2H])c([2H])c1[2H].
What is the InChIKey of 2,3,5,6-tetradeuterio-4-naphthalen-2-yl-N-(3-naphthalen-2-ylphenyl)-N-[2,3,5,6-tetradeuterio-4-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]phenyl]aniline?
The InChIKey is GKIZDDRTRPIOMI-BXWHGOSUSA-N. The full InChI is InChI=1S/C50H35N/c1-2-9-36(10-3-1)39-17-19-40(20-18-39)41-25-29-48(30-26-41)51(49-31-27-42(28-32-49)46-23-21-37-11-4-6-13-43(37)33-46)50-16-8-15-45(35-50)47-24-22-38-12-5-7-14-44(38)34-47/h1-35H/i1D,2D,3D,9D,10D,17D,18D,19D,20D,25D,26D,27D,28D,29D,30D,31D,32D.
What are the key properties of 2,3,5,6-tetradeuterio-4-naphthalen-2-yl-N-(3-naphthalen-2-ylphenyl)-N-[2,3,5,6-tetradeuterio-4-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]phenyl]aniline?
2,3,5,6-tetradeuterio-4-naphthalen-2-yl-N-(3-naphthalen-2-ylphenyl)-N-[2,3,5,6-tetradeuterio-4-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]phenyl]aniline has a molecular weight of 666.94 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 2,3,5,6-tetradeuterio-4-naphthalen-2-yl-N-(3-naphthalen-2-ylphenyl)-N-[2,3,5,6-tetradeuterio-4-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]phenyl]aniline is sourced from PubChem (CID 171452175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).