2,3,4,6-tetradeuterio-5-(9-phenylcarbazol-3-yl)-N-(4-phenylphenyl)-N-[4-(2-phenylphenyl)phenyl]aniline;2,3,4,6-tetradeuterio-5-(9-phenylcarbazol-3-yl)-N-(4-phenylphenyl)-N-[2,3,5,6-tetradeuterio-4-[2,3,4-trideuterio-6-(2,3,4,5,6-pentadeuteriophenyl)phenyl]phenyl]aniline

C108H76N4 — CID 167606755

About 2,3,4,6-tetradeuterio-5-(9-phenylcarbazol-3-yl)-N-(4-phenylphenyl)-N-[4-(2-phenylphenyl)phenyl]aniline;2,3,4,6-tetradeuterio-5-(9-phenylcarbazol-3-yl)-N-(4-phenylphenyl)-N-[2,3,5,6-tetradeuterio-4-[2,3,4-trideuterio-6-(2,3,4,5,6-pentadeuteriophenyl)phenyl]phenyl]aniline

2,3,4,6-tetradeuterio-5-(9-phenylcarbazol-3-yl)-N-(4-phenylphenyl)-N-[4-(2-phenylphenyl)phenyl]aniline;2,3,4,6-tetradeuterio-5-(9-phenylcarbazol-3-yl)-N-(4-phenylphenyl)-N-[2,3,5,6-tetradeuterio-4-[2,3,4-trideuterio-6-(2,3,4,5,6-pentadeuteriophenyl)phenyl]phenyl]aniline (PubChem CID 167606755) has the molecular formula C108H76N4 and a molecular weight of 1449.95 g/mol. Its IUPAC name is 2,3,4,6-tetradeuterio-5-(9-phenylcarbazol-3-yl)-N-(4-phenylphenyl)-N-[4-(2-phenylphenyl)phenyl]aniline;2,3,4,6-tetradeuterio-5-(9-phenylcarbazol-3-yl)-N-(4-phenylphenyl)-N-[2,3,5,6-tetradeuterio-4-[2,3,4-trideuterio-6-(2,3,4,5,6-pentadeuteriophenyl)phenyl]phenyl]aniline.

Molecular Properties

• Compound Name: 2,3,4,6-tetradeuterio-5-(9-phenylcarbazol-3-yl)-N-(4-phenylphenyl)-N-[4-(2-phenylphenyl)phenyl]aniline;2,3,4,6-tetradeuterio-5-(9-phenylcarbazol-3-yl)-N-(4-phenylphenyl)-N-[2,3,5,6-tetradeuterio-4-[2,3,4-trideuterio-6-(2,3,4,5,6-pentadeuteriophenyl)phenyl]phenyl]aniline
• PubChem CID: 167606755
• Molecular Formula: C108H76N4
• Molecular Weight: 1449.95 g/mol
• Exact Mass: 1448.73
• IUPAC Name: 2,3,4,6-tetradeuterio-5-(9-phenylcarbazol-3-yl)-N-(4-phenylphenyl)-N-[4-(2-phenylphenyl)phenyl]aniline;2,3,4,6-tetradeuterio-5-(9-phenylcarbazol-3-yl)-N-(4-phenylphenyl)-N-[2,3,5,6-tetradeuterio-4-[2,3,4-trideuterio-6-(2,3,4,5,6-pentadeuteriophenyl)phenyl]phenyl]aniline
• SMILES: [2H]c1c([2H])c(-c2ccc3c(c2)c2ccccc2n3-c2ccccc2)c([2H])c(N(c2ccc(-c3ccccc3)cc2)c2ccc(-c3ccccc3-c3ccccc3)cc2)c1[2H].[2H]c1cc(-c2c([2H])c([2H])c([2H])c([2H])c2[2H])c(-c2c([2H])c([2H])c(N(c3ccc(-c4ccccc4)cc3)c3c([2H])c([2H])c([2H])c(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)c3[2H])c([2H])c2[2H])c([2H])c1[2H]
• InChI: InChI=1S/2C54H38N2/c2*1-4-15-39(16-5-1)40-27-32-46(33-28-40)55(47-34-29-42(30-35-47)50-24-11-10-23-49(50)41-17-6-2-7-18-41)48-22-14-19-43(37-48)44-31-36-54-52(38-44)51-25-12-13-26-53(51)56(54)45-20-8-3-9-21-45/h2*1-38H/i2D,6D,7D,10D,11D,14D,17D,18D,19D,22D,24D,29D,30D,34D,35D,37D;14D,19D,22D,37D
• InChIKey: KMHWSLSGUIPZLY-MMHNEWTHSA-N
• XLogP: 29.84
• TPSA: 16.34 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 16
• Heavy Atoms: 112
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1449.95
LogP ≤ 5	29.84
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 2,3,4,6-tetradeuterio-5-(9-phenylcarbazol-3-yl)-N-(4-phenylphenyl)-N-[4-(2-phenylphenyl)phenyl]aniline;2,3,4,6-tetradeuterio-5-(9-phenylcarbazol-3-yl)-N-(4-phenylphenyl)-N-[2,3,5,6-tetradeuterio-4-[2,3,4-trideuterio-6-(2,3,4,5,6-pentadeuteriophenyl)phenyl]phenyl]aniline?

The IUPAC name of 2,3,4,6-tetradeuterio-5-(9-phenylcarbazol-3-yl)-N-(4-phenylphenyl)-N-[4-(2-phenylphenyl)phenyl]aniline;2,3,4,6-tetradeuterio-5-(9-phenylcarbazol-3-yl)-N-(4-phenylphenyl)-N-[2,3,5,6-tetradeuterio-4-[2,3,4-trideuterio-6-(2,3,4,5,6-pentadeuteriophenyl)phenyl]phenyl]aniline (CID 167606755) is 2,3,4,6-tetradeuterio-5-(9-phenylcarbazol-3-yl)-N-(4-phenylphenyl)-N-[4-(2-phenylphenyl)phenyl]aniline;2,3,4,6-tetradeuterio-5-(9-phenylcarbazol-3-yl)-N-(4-phenylphenyl)-N-[2,3,5,6-tetradeuterio-4-[2,3,4-trideuterio-6-(2,3,4,5,6-pentadeuteriophenyl)phenyl]phenyl]aniline.

What is the SMILES notation for 2,3,4,6-tetradeuterio-5-(9-phenylcarbazol-3-yl)-N-(4-phenylphenyl)-N-[4-(2-phenylphenyl)phenyl]aniline;2,3,4,6-tetradeuterio-5-(9-phenylcarbazol-3-yl)-N-(4-phenylphenyl)-N-[2,3,5,6-tetradeuterio-4-[2,3,4-trideuterio-6-(2,3,4,5,6-pentadeuteriophenyl)phenyl]phenyl]aniline?

The canonical SMILES for 2,3,4,6-tetradeuterio-5-(9-phenylcarbazol-3-yl)-N-(4-phenylphenyl)-N-[4-(2-phenylphenyl)phenyl]aniline;2,3,4,6-tetradeuterio-5-(9-phenylcarbazol-3-yl)-N-(4-phenylphenyl)-N-[2,3,5,6-tetradeuterio-4-[2,3,4-trideuterio-6-(2,3,4,5,6-pentadeuteriophenyl)phenyl]phenyl]aniline is [2H]c1c([2H])c(-c2ccc3c(c2)c2ccccc2n3-c2ccccc2)c([2H])c(N(c2ccc(-c3ccccc3)cc2)c2ccc(-c3ccccc3-c3ccccc3)cc2)c1[2H].[2H]c1cc(-c2c([2H])c([2H])c([2H])c([2H])c2[2H])c(-c2c([2H])c([2H])c(N(c3ccc(-c4ccccc4)cc3)c3c([2H])c([2H])c([2H])c(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)c3[2H])c([2H])c2[2H])c([2H])c1[2H].

What is the InChIKey of 2,3,4,6-tetradeuterio-5-(9-phenylcarbazol-3-yl)-N-(4-phenylphenyl)-N-[4-(2-phenylphenyl)phenyl]aniline;2,3,4,6-tetradeuterio-5-(9-phenylcarbazol-3-yl)-N-(4-phenylphenyl)-N-[2,3,5,6-tetradeuterio-4-[2,3,4-trideuterio-6-(2,3,4,5,6-pentadeuteriophenyl)phenyl]phenyl]aniline?

The InChIKey is KMHWSLSGUIPZLY-MMHNEWTHSA-N. The full InChI is InChI=1S/2C54H38N2/c2*1-4-15-39(16-5-1)40-27-32-46(33-28-40)55(47-34-29-42(30-35-47)50-24-11-10-23-49(50)41-17-6-2-7-18-41)48-22-14-19-43(37-48)44-31-36-54-52(38-44)51-25-12-13-26-53(51)56(54)45-20-8-3-9-21-45/h2*1-38H/i2D,6D,7D,10D,11D,14D,17D,18D,19D,22D,24D,29D,30D,34D,35D,37D;14D,19D,22D,37D.

What are the key properties of 2,3,4,6-tetradeuterio-5-(9-phenylcarbazol-3-yl)-N-(4-phenylphenyl)-N-[4-(2-phenylphenyl)phenyl]aniline;2,3,4,6-tetradeuterio-5-(9-phenylcarbazol-3-yl)-N-(4-phenylphenyl)-N-[2,3,5,6-tetradeuterio-4-[2,3,4-trideuterio-6-(2,3,4,5,6-pentadeuteriophenyl)phenyl]phenyl]aniline?

2,3,4,6-tetradeuterio-5-(9-phenylcarbazol-3-yl)-N-(4-phenylphenyl)-N-[4-(2-phenylphenyl)phenyl]aniline;2,3,4,6-tetradeuterio-5-(9-phenylcarbazol-3-yl)-N-(4-phenylphenyl)-N-[2,3,5,6-tetradeuterio-4-[2,3,4-trideuterio-6-(2,3,4,5,6-pentadeuteriophenyl)phenyl]phenyl]aniline has a molecular weight of 1449.95 g/mol, XLogP of 29.84, 16 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2,3,4,6-tetradeuterio-5-(9-phenylcarbazol-3-yl)-N-(4-phenylphenyl)-N-[4-(2-phenylphenyl)phenyl]aniline;2,3,4,6-tetradeuterio-5-(9-phenylcarbazol-3-yl)-N-(4-phenylphenyl)-N-[2,3,5,6-tetradeuterio-4-[2,3,4-trideuterio-6-(2,3,4,5,6-pentadeuteriophenyl)phenyl]phenyl]aniline is sourced from PubChem (CID 167606755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).