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

C56H39N — CID 172527917

About 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

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 (PubChem CID 172527917) has the molecular formula C56H39N and a molecular weight of 741.03 g/mol. Its IUPAC name is 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.

Molecular Properties

• Compound Name: 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
• PubChem CID: 172527917
• Molecular Formula: C56H39N
• Molecular Weight: 741.03 g/mol
• Exact Mass: 740.40
• IUPAC Name: 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
• SMILES: [2H]c1c([2H])c(N(c2ccc(-c3ccc4ccccc4c3-c3ccccc3)cc2)c2c([2H])c([2H])c(-c3c([2H])c([2H])c4c([2H])c([2H])c([2H])c([2H])c4c3[2H])c([2H])c2[2H])c([2H])c([2H])c1-c1ccc(-c2ccccc2)cc1
• InChI: InChI=1S/C56H39N/c1-3-11-40(12-4-1)42-19-21-43(22-20-42)44-25-32-51(33-26-44)57(52-34-27-45(28-35-52)50-24-23-41-13-7-8-17-49(41)39-50)53-36-29-47(30-37-53)55-38-31-46-14-9-10-18-54(46)56(55)48-15-5-2-6-16-48/h1-39H/i7D,8D,13D,17D,23D,24D,25D,26D,27D,28D,32D,33D,34D,35D,39D
• InChIKey: PMUIBJDWFSSPPB-UAJCMPMNSA-N
• XLogP: 15.80
• TPSA: 3.24 Ų
• H-Bond Acceptors: 1
• Rotatable Bonds: 8
• Heavy Atoms: 57
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	741.03
LogP ≤ 5	15.80
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	1

Frequently Asked Questions

What is the IUPAC name of 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?

The IUPAC name of 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) is 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.

What is the SMILES notation for 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?

The canonical SMILES for 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 is [2H]c1c([2H])c(N(c2ccc(-c3ccc4ccccc4c3-c3ccccc3)cc2)c2c([2H])c([2H])c(-c3c([2H])c([2H])c4c([2H])c([2H])c([2H])c([2H])c4c3[2H])c([2H])c2[2H])c([2H])c([2H])c1-c1ccc(-c2ccccc2)cc1.

What is the InChIKey of 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?

The InChIKey is PMUIBJDWFSSPPB-UAJCMPMNSA-N. The full InChI is InChI=1S/C56H39N/c1-3-11-40(12-4-1)42-19-21-43(22-20-42)44-25-32-51(33-26-44)57(52-34-27-45(28-35-52)50-24-23-41-13-7-8-17-49(41)39-50)53-36-29-47(30-37-53)55-38-31-46-14-9-10-18-54(46)56(55)48-15-5-2-6-16-48/h1-39H/i7D,8D,13D,17D,23D,24D,25D,26D,27D,28D,32D,33D,34D,35D,39D.

What are the key properties of 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?

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 has a molecular weight of 741.03 g/mol, XLogP of 15.80, 8 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-[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 is sourced from PubChem (CID 172527917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).