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

C222H148N4 — CID 163575939

IUPAC2,3,5,6-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
SMILES[2H]c1c([2H])c(N(c2cccc(-c3cc4ccccc4c4ccccc34)c2)c2cccc(-c3cc4ccccc4c4ccccc34)c2)c([2H])c([2H])c1-c1ccc(-c2ccccc2)cc1.[2H]c1c([2H])c(N(c2cccc(-c3cc4ccccc4c4ccccc34)c2)c2cccc(-c3cc4ccccc4c4ccccc34)c2)c([2H])c([2H])c1-c1ccc2ccccc2c1.[2H]c1c([2H])c(N(c2cccc(-c3cc4ccccc4c4ccccc34)c2)c2cccc(-c3cc4ccccc4c4ccccc34)c2)c([2H])c([2H])c1-c1cccc2ccccc12.[2H]c1c([2H])c([2H])c(-c2c([2H])c([2H])c(N(c3cccc(-c4cc5ccccc5c5ccccc45)c3)c3cccc(-c4cc5ccccc5c5ccccc45)c3)c([2H])c2[2H])c([2H])c1[2H]
InChIInChI=1S/C58H39N.2C56H37N.C52H35N/c1-2-14-40(15-3-1)41-28-30-42(31-29-41)43-32-34-48(35-33-43)59(49-20-12-18-44(36-49)57-38-46-16-4-6-22-51(46)53-24-8-10-26-55(53)57)50-21-13-19-45(37-50)58-39-47-17-5-7-23-52(47)54-25-9-11-27-56(54)58;1-4-22-47-38(14-1)17-13-29-48(47)39-30-32-44(33-31-39)57(45-20-11-18-40(34-45)55-36-42-15-2-5-23-49(42)51-25-7-9-27-53(51)55)46-21-12-19-41(35-46)56-37-43-16-3-6-24-50(43)52-26-8-10-28-54(52)56;1-2-14-40-33-41(28-27-38(40)13-1)39-29-31-46(32-30-39)57(47-19-11-17-42(34-47)55-36-44-15-3-5-21-49(44)51-23-7-9-25-53(51)55)48-20-12-18-43(35-48)56-37-45-16-4-6-22-50(45)52-24-8-10-26-54(52)56;1-2-14-36(15-3-1)37-28-30-42(31-29-37)53(43-20-12-18-38(32-43)51-34-40-16-4-6-22-45(40)47-24-8-10-26-49(47)51)44-21-13-19-39(33-44)52-35-41-17-5-7-23-46(41)48-25-9-11-27-50(48)52/h1-39H;2*1-37H;1-35H/i32D,33D,34D,35D;30D,31D,32D,33D;29D,30D,31D,32D;1D,2D,3D,14D,15D,28D,29D,30D,31D
InChIKeyGDLVXBBTCCQZMG-WCIJSNILSA-N
MW2892.78 g/mol
LogP63.05
Rot. Bonds25

About 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

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 (PubChem CID 163575939) has the molecular formula C222H148N4 and a molecular weight of 2892.78 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2,3,5,6-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
PubChem CID163575939
Molecular FormulaC222H148N4
Molecular Weight2892.78 g/mol
Exact Mass2890.30
IUPAC Name2,3,5,6-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
SMILES[2H]c1c([2H])c(N(c2cccc(-c3cc4ccccc4c4ccccc34)c2)c2cccc(-c3cc4ccccc4c4ccccc34)c2)c([2H])c([2H])c1-c1ccc(-c2ccccc2)cc1.[2H]c1c([2H])c(N(c2cccc(-c3cc4ccccc4c4ccccc34)c2)c2cccc(-c3cc4ccccc4c4ccccc34)c2)c([2H])c([2H])c1-c1ccc2ccccc2c1.[2H]c1c([2H])c(N(c2cccc(-c3cc4ccccc4c4ccccc34)c2)c2cccc(-c3cc4ccccc4c4ccccc34)c2)c([2H])c([2H])c1-c1cccc2ccccc12.[2H]c1c([2H])c([2H])c(-c2c([2H])c([2H])c(N(c3cccc(-c4cc5ccccc5c5ccccc45)c3)c3cccc(-c4cc5ccccc5c5ccccc45)c3)c([2H])c2[2H])c([2H])c1[2H]
InChIInChI=1S/C58H39N.2C56H37N.C52H35N/c1-2-14-40(15-3-1)41-28-30-42(31-29-41)43-32-34-48(35-33-43)59(49-20-12-18-44(36-49)57-38-46-16-4-6-22-51(46)53-24-8-10-26-55(53)57)50-21-13-19-45(37-50)58-39-47-17-5-7-23-52(47)54-25-9-11-27-56(54)58;1-4-22-47-38(14-1)17-13-29-48(47)39-30-32-44(33-31-39)57(45-20-11-18-40(34-45)55-36-42-15-2-5-23-49(42)51-25-7-9-27-53(51)55)46-21-12-19-41(35-46)56-37-43-16-3-6-24-50(43)52-26-8-10-28-54(52)56;1-2-14-40-33-41(28-27-38(40)13-1)39-29-31-46(32-30-39)57(47-19-11-17-42(34-47)55-36-44-15-3-5-21-49(44)51-23-7-9-25-53(51)55)48-20-12-18-43(35-48)56-37-45-16-4-6-22-50(45)52-24-8-10-26-54(52)56;1-2-14-36(15-3-1)37-28-30-42(31-29-37)53(43-20-12-18-38(32-43)51-34-40-16-4-6-22-45(40)47-24-8-10-26-49(47)51)44-21-13-19-39(33-44)52-35-41-17-5-7-23-46(41)48-25-9-11-27-50(48)52/h1-39H;2*1-37H;1-35H/i32D,33D,34D,35D;30D,31D,32D,33D;29D,30D,31D,32D;1D,2D,3D,14D,15D,28D,29D,30D,31D
InChIKeyGDLVXBBTCCQZMG-WCIJSNILSA-N
XLogP63.05
TPSA12.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds25
Heavy Atoms226
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002892.78
LogP ≤ 563.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 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 with MolForge

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Related Compounds

2,3,5,6-tetradeuterio-N-(3-naphthalen-1-ylphenyl)-4-(4-phenylphenyl)-N-(2,3,5,6-tetradeuterio-4-naphthalen-2-ylphenyl)aniline
CID 171451869
2,3,5,6-tetradeuterio-N-[4-(3-naphthalen-1-ylphenyl)phenyl]-4-phenanthren-9-yl-N-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]aniline
CID 171452726
2,3,5,6-tetradeuterio-N-(3-naphthalen-1-ylphenyl)-N-[4-(3-phenylphenyl)phenyl]-4-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]aniline
CID 171452028
2,3,5,6-tetradeuterio-N,N-bis(3-naphthalen-1-ylphenyl)-4-phenanthren-2-ylaniline
CID 171451140
2,3,5,6-tetradeuterio-N-[4-(3-naphthalen-1-ylphenyl)phenyl]-4-phenyl-N-(2,3,5,6-tetradeuterio-4-phenanthren-9-ylphenyl)aniline
CID 171452534
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-(3-phenanthren-9-ylphenyl)-4-phenyl-N-(2,3,5,6-tetradeuterio-4-phenanthren-9-ylphenyl)aniline
CID 171451704
2,3,5,6-tetradeuterio-4-naphthalen-1-yl-N-(3-phenanthren-9-ylphenyl)-N-(4-phenanthren-9-ylphenyl)aniline
CID 171451836
2,3,5,6-tetradeuterio-4-(3-naphthalen-1-ylphenyl)-N-[2,3,5,6-tetradeuterio-4-(3-phenylphenyl)phenyl]-N-[2,3,5,6-tetradeuterio-4-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]phenyl]aniline
CID 171452333
2,3,5,6-tetradeuterio-N-(3-naphthalen-1-ylphenyl)-4-(4-phenylphenyl)-N-[2,3,5,6-tetradeuterio-4-(3-phenylphenyl)phenyl]aniline
CID 171451381
2,3,5,6-tetradeuterio-4-(3-naphthalen-1-ylphenyl)-N-(4-phenylphenyl)-N-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]aniline
CID 171451520
2,3,5,6-tetradeuterio-4-(3-naphthalen-1-ylphenyl)-N-[4-(4-phenylphenyl)phenyl]-N-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]aniline
CID 171451752

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is [2H]c1c([2H])c(N(c2cccc(-c3cc4ccccc4c4ccccc34)c2)c2cccc(-c3cc4ccccc4c4ccccc34)c2)c([2H])c([2H])c1-c1ccc(-c2ccccc2)cc1.[2H]c1c([2H])c(N(c2cccc(-c3cc4ccccc4c4ccccc34)c2)c2cccc(-c3cc4ccccc4c4ccccc34)c2)c([2H])c([2H])c1-c1ccc2ccccc2c1.[2H]c1c([2H])c(N(c2cccc(-c3cc4ccccc4c4ccccc34)c2)c2cccc(-c3cc4ccccc4c4ccccc34)c2)c([2H])c([2H])c1-c1cccc2ccccc12.[2H]c1c([2H])c([2H])c(-c2c([2H])c([2H])c(N(c3cccc(-c4cc5ccccc5c5ccccc45)c3)c3cccc(-c4cc5ccccc5c5ccccc45)c3)c([2H])c2[2H])c([2H])c1[2H].
What is the InChIKey of 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?
The InChIKey is GDLVXBBTCCQZMG-WCIJSNILSA-N. The full InChI is InChI=1S/C58H39N.2C56H37N.C52H35N/c1-2-14-40(15-3-1)41-28-30-42(31-29-41)43-32-34-48(35-33-43)59(49-20-12-18-44(36-49)57-38-46-16-4-6-22-51(46)53-24-8-10-26-55(53)57)50-21-13-19-45(37-50)58-39-47-17-5-7-23-52(47)54-25-9-11-27-56(54)58;1-4-22-47-38(14-1)17-13-29-48(47)39-30-32-44(33-31-39)57(45-20-11-18-40(34-45)55-36-42-15-2-5-23-49(42)51-25-7-9-27-53(51)55)46-21-12-19-41(35-46)56-37-43-16-3-6-24-50(43)52-26-8-10-28-54(52)56;1-2-14-40-33-41(28-27-38(40)13-1)39-29-31-46(32-30-39)57(47-19-11-17-42(34-47)55-36-44-15-3-5-21-49(44)51-23-7-9-25-53(51)55)48-20-12-18-43(35-48)56-37-45-16-4-6-22-50(45)52-24-8-10-26-54(52)56;1-2-14-36(15-3-1)37-28-30-42(31-29-37)53(43-20-12-18-38(32-43)51-34-40-16-4-6-22-45(40)47-24-8-10-26-49(47)51)44-21-13-19-39(33-44)52-35-41-17-5-7-23-46(41)48-25-9-11-27-50(48)52/h1-39H;2*1-37H;1-35H/i32D,33D,34D,35D;30D,31D,32D,33D;29D,30D,31D,32D;1D,2D,3D,14D,15D,28D,29D,30D,31D.
What are the key properties of 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?
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 has a molecular weight of 2892.78 g/mol, XLogP of 63.05, 25 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 163575939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).