2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)-N-[4-(1-phenylnaphthalen-2-yl)phenyl]-N-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6,7,8-heptadeuterionaphthalen-1-yl)phenyl]aniline

C50H35N — CID 172527977

IUPAC2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)-N-[4-(1-phenylnaphthalen-2-yl)phenyl]-N-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6,7,8-heptadeuterionaphthalen-1-yl)phenyl]aniline
SMILES[2H]c1c([2H])c([2H])c(-c2c([2H])c([2H])c(N(c3ccc(-c4ccc5ccccc5c4-c4ccccc4)cc3)c3c([2H])c([2H])c(-c4c([2H])c([2H])c([2H])c5c([2H])c([2H])c([2H])c([2H])c45)c([2H])c3[2H])c([2H])c2[2H])c([2H])c1[2H]
InChIInChI=1S/C50H35N/c1-3-12-36(13-4-1)37-22-29-43(30-23-37)51(44-31-24-40(25-32-44)47-21-11-18-38-14-7-9-19-46(38)47)45-33-26-41(27-34-45)49-35-28-39-15-8-10-20-48(39)50(49)42-16-5-2-6-17-42/h1-35H/i1D,3D,4D,7D,9D,11D,12D,13D,14D,18D,19D,21D,22D,23D,24D,25D,29D,30D,31D,32D
InChIKeyMJVPUOYIJXMBEF-QXWUCATASA-N
MW669.96 g/mol
LogP14.13
Rot. Bonds7

About 2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)-N-[4-(1-phenylnaphthalen-2-yl)phenyl]-N-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6,7,8-heptadeuterionaphthalen-1-yl)phenyl]aniline

2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)-N-[4-(1-phenylnaphthalen-2-yl)phenyl]-N-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6,7,8-heptadeuterionaphthalen-1-yl)phenyl]aniline (PubChem CID 172527977) has the molecular formula C50H35N and a molecular weight of 669.96 g/mol. Its IUPAC name is 2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)-N-[4-(1-phenylnaphthalen-2-yl)phenyl]-N-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6,7,8-heptadeuterionaphthalen-1-yl)phenyl]aniline.

Molecular Properties

Compound Name2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)-N-[4-(1-phenylnaphthalen-2-yl)phenyl]-N-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6,7,8-heptadeuterionaphthalen-1-yl)phenyl]aniline
PubChem CID172527977
Molecular FormulaC50H35N
Molecular Weight669.96 g/mol
Exact Mass669.40
IUPAC Name2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)-N-[4-(1-phenylnaphthalen-2-yl)phenyl]-N-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6,7,8-heptadeuterionaphthalen-1-yl)phenyl]aniline
SMILES[2H]c1c([2H])c([2H])c(-c2c([2H])c([2H])c(N(c3ccc(-c4ccc5ccccc5c4-c4ccccc4)cc3)c3c([2H])c([2H])c(-c4c([2H])c([2H])c([2H])c5c([2H])c([2H])c([2H])c([2H])c45)c([2H])c3[2H])c([2H])c2[2H])c([2H])c1[2H]
InChIInChI=1S/C50H35N/c1-3-12-36(13-4-1)37-22-29-43(30-23-37)51(44-31-24-40(25-32-44)47-21-11-18-38-14-7-9-19-46(38)47)45-33-26-41(27-34-45)49-35-28-39-15-8-10-20-48(39)50(49)42-16-5-2-6-17-42/h1-35H/i1D,3D,4D,7D,9D,11D,12D,13D,14D,18D,19D,21D,22D,23D,24D,25D,29D,30D,31D,32D
InChIKeyMJVPUOYIJXMBEF-QXWUCATASA-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 ≤ 500669.96
LogP ≤ 514.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)-N-[4-(1-phenylnaphthalen-2-yl)phenyl]-N-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6,7,8-heptadeuterionaphthalen-1-yl)phenyl]aniline with MolForge

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Related Compounds

2,3,5,6-tetradeuterio-4-(4-naphthalen-1-ylphenyl)-N-[4-(1-phenylnaphthalen-2-yl)phenyl]-N-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6,7,8-heptadeuterionaphthalen-1-yl)phenyl]aniline
CID 172527615
2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)-N-[4-(2-phenylnaphthalen-1-yl)phenyl]-N-(4-phenylphenyl)aniline
CID 172527497
2,3,5,6-tetradeuterio-N-[4-(3,5-diphenylphenyl)phenyl]-4-(2,3,4,5,6-pentadeuteriophenyl)-N-[4-(1-phenylnaphthalen-2-yl)phenyl]aniline
CID 172526934
2,3,5,6-tetradeuterio-N-[4-(4-naphthalen-1-ylphenyl)phenyl]-4-(2,3,4,5,6-pentadeuteriophenyl)-N-[4-(2-phenylnaphthalen-1-yl)phenyl]aniline
CID 172527428
2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)-N-(4-phenanthren-9-ylphenyl)-N-[4-(2-phenylnaphthalen-1-yl)phenyl]aniline
CID 172526866
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
N-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-N-[2,3,5,6-tetradeuterio-4-(1-phenylnaphthalen-2-yl)phenyl]naphthalen-2-amine
CID 172527243
2,3,5,6-tetradeuterio-N-phenyl-4-(4-phenylphenyl)-N-[2,3,5,6-tetradeuterio-4-(1-phenylnaphthalen-2-yl)phenyl]aniline
CID 172527160
2,3,5,6-tetradeuterio-N-[4-(1-phenylnaphthalen-2-yl)phenyl]-4-(4-phenylphenyl)-N-[2,3,5,6-tetradeuterio-4-(1,3,4,5,6,7,8-heptadeuterionaphthalen-2-yl)phenyl]aniline
CID 172527917
2,3,5,6-tetradeuterio-N-[4-(3-naphthalen-1-ylphenyl)phenyl]-4-(2,3,4,5,6-pentadeuteriophenyl)-N-[4-(2-phenylnaphthalen-1-yl)phenyl]aniline
CID 172527136
2,3,5,6-tetradeuterio-N-[4-(1-phenylnaphthalen-2-yl)phenyl]-4-(4-phenylphenyl)-N-(2,3,5,6-tetradeuterio-4-naphthalen-1-ylphenyl)aniline
CID 172527502
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

Frequently Asked Questions

What is the IUPAC name of 2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)-N-[4-(1-phenylnaphthalen-2-yl)phenyl]-N-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6,7,8-heptadeuterionaphthalen-1-yl)phenyl]aniline?
The IUPAC name of 2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)-N-[4-(1-phenylnaphthalen-2-yl)phenyl]-N-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6,7,8-heptadeuterionaphthalen-1-yl)phenyl]aniline (CID 172527977) is 2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)-N-[4-(1-phenylnaphthalen-2-yl)phenyl]-N-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6,7,8-heptadeuterionaphthalen-1-yl)phenyl]aniline.
What is the SMILES notation for 2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)-N-[4-(1-phenylnaphthalen-2-yl)phenyl]-N-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6,7,8-heptadeuterionaphthalen-1-yl)phenyl]aniline?
The canonical SMILES for 2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)-N-[4-(1-phenylnaphthalen-2-yl)phenyl]-N-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6,7,8-heptadeuterionaphthalen-1-yl)phenyl]aniline is [2H]c1c([2H])c([2H])c(-c2c([2H])c([2H])c(N(c3ccc(-c4ccc5ccccc5c4-c4ccccc4)cc3)c3c([2H])c([2H])c(-c4c([2H])c([2H])c([2H])c5c([2H])c([2H])c([2H])c([2H])c45)c([2H])c3[2H])c([2H])c2[2H])c([2H])c1[2H].
What is the InChIKey of 2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)-N-[4-(1-phenylnaphthalen-2-yl)phenyl]-N-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6,7,8-heptadeuterionaphthalen-1-yl)phenyl]aniline?
The InChIKey is MJVPUOYIJXMBEF-QXWUCATASA-N. The full InChI is InChI=1S/C50H35N/c1-3-12-36(13-4-1)37-22-29-43(30-23-37)51(44-31-24-40(25-32-44)47-21-11-18-38-14-7-9-19-46(38)47)45-33-26-41(27-34-45)49-35-28-39-15-8-10-20-48(39)50(49)42-16-5-2-6-17-42/h1-35H/i1D,3D,4D,7D,9D,11D,12D,13D,14D,18D,19D,21D,22D,23D,24D,25D,29D,30D,31D,32D.
What are the key properties of 2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)-N-[4-(1-phenylnaphthalen-2-yl)phenyl]-N-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6,7,8-heptadeuterionaphthalen-1-yl)phenyl]aniline?
2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)-N-[4-(1-phenylnaphthalen-2-yl)phenyl]-N-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6,7,8-heptadeuterionaphthalen-1-yl)phenyl]aniline has a molecular weight of 669.96 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-(2,3,4,5,6-pentadeuteriophenyl)-N-[4-(1-phenylnaphthalen-2-yl)phenyl]-N-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6,7,8-heptadeuterionaphthalen-1-yl)phenyl]aniline is sourced from PubChem (CID 172527977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).