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

C108H76N4 — CID 167679487

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

2,3,4,6-tetradeuterio-5-(9-phenylcarbazol-3-yl)-N-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]aniline;2,3,4,6-tetradeuterio-5-(9-phenylcarbazol-3-yl)-N-(4-phenylphenyl)-N-[2,3,5,6-tetradeuterio-4-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]phenyl]aniline (PubChem CID 167679487) has the molecular formula C108H76N4 and a molecular weight of 1450.95 g/mol. Its IUPAC name is 2,3,4,6-tetradeuterio-5-(9-phenylcarbazol-3-yl)-N-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]aniline;2,3,4,6-tetradeuterio-5-(9-phenylcarbazol-3-yl)-N-(4-phenylphenyl)-N-[2,3,5,6-tetradeuterio-4-[2,3,5,6-tetradeuterio-4-(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-(4-phenylphenyl)phenyl]aniline;2,3,4,6-tetradeuterio-5-(9-phenylcarbazol-3-yl)-N-(4-phenylphenyl)-N-[2,3,5,6-tetradeuterio-4-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]phenyl]aniline
• PubChem CID: 167679487
• Molecular Formula: C108H76N4
• Molecular Weight: 1450.95 g/mol
• Exact Mass: 1449.74
• IUPAC Name: 2,3,4,6-tetradeuterio-5-(9-phenylcarbazol-3-yl)-N-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]aniline;2,3,4,6-tetradeuterio-5-(9-phenylcarbazol-3-yl)-N-(4-phenylphenyl)-N-[2,3,5,6-tetradeuterio-4-[2,3,5,6-tetradeuterio-4-(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(-c3ccc(-c4ccccc4)cc3)cc2)c1[2H].[2H]c1c([2H])c([2H])c(-c2c([2H])c([2H])c(-c3c([2H])c([2H])c(N(c4ccc(-c5ccccc5)cc4)c4c([2H])c([2H])c([2H])c(-c5ccc6c(c5)c5ccccc5n6-c5ccccc5)c4[2H])c([2H])c3[2H])c([2H])c2[2H])c([2H])c1[2H]
• InChI: InChI=1S/2C54H38N2/c2*1-4-13-39(14-5-1)41-23-25-42(26-24-41)44-29-34-49(35-30-44)55(48-32-27-43(28-33-48)40-15-6-2-7-16-40)50-20-12-17-45(37-50)46-31-36-54-52(38-46)51-21-10-11-22-53(51)56(54)47-18-8-3-9-19-47/h2*1-38H/i1D,4D,5D,12D,13D,14D,17D,20D,23D,24D,25D,26D,29D,30D,34D,35D,37D;12D,17D,20D,37D
• InChIKey: VHSSFFXPBFPACY-YETLHBHASA-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	1450.95
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-(4-phenylphenyl)phenyl]aniline;2,3,4,6-tetradeuterio-5-(9-phenylcarbazol-3-yl)-N-(4-phenylphenyl)-N-[2,3,5,6-tetradeuterio-4-[2,3,5,6-tetradeuterio-4-(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-(4-phenylphenyl)phenyl]aniline;2,3,4,6-tetradeuterio-5-(9-phenylcarbazol-3-yl)-N-(4-phenylphenyl)-N-[2,3,5,6-tetradeuterio-4-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]phenyl]aniline (CID 167679487) is 2,3,4,6-tetradeuterio-5-(9-phenylcarbazol-3-yl)-N-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]aniline;2,3,4,6-tetradeuterio-5-(9-phenylcarbazol-3-yl)-N-(4-phenylphenyl)-N-[2,3,5,6-tetradeuterio-4-[2,3,5,6-tetradeuterio-4-(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-(4-phenylphenyl)phenyl]aniline;2,3,4,6-tetradeuterio-5-(9-phenylcarbazol-3-yl)-N-(4-phenylphenyl)-N-[2,3,5,6-tetradeuterio-4-[2,3,5,6-tetradeuterio-4-(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-(4-phenylphenyl)phenyl]aniline;2,3,4,6-tetradeuterio-5-(9-phenylcarbazol-3-yl)-N-(4-phenylphenyl)-N-[2,3,5,6-tetradeuterio-4-[2,3,5,6-tetradeuterio-4-(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(-c3ccc(-c4ccccc4)cc3)cc2)c1[2H].[2H]c1c([2H])c([2H])c(-c2c([2H])c([2H])c(-c3c([2H])c([2H])c(N(c4ccc(-c5ccccc5)cc4)c4c([2H])c([2H])c([2H])c(-c5ccc6c(c5)c5ccccc5n6-c5ccccc5)c4[2H])c([2H])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-(4-phenylphenyl)phenyl]aniline;2,3,4,6-tetradeuterio-5-(9-phenylcarbazol-3-yl)-N-(4-phenylphenyl)-N-[2,3,5,6-tetradeuterio-4-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]phenyl]aniline?

The InChIKey is VHSSFFXPBFPACY-YETLHBHASA-N. The full InChI is InChI=1S/2C54H38N2/c2*1-4-13-39(14-5-1)41-23-25-42(26-24-41)44-29-34-49(35-30-44)55(48-32-27-43(28-33-48)40-15-6-2-7-16-40)50-20-12-17-45(37-50)46-31-36-54-52(38-46)51-21-10-11-22-53(51)56(54)47-18-8-3-9-19-47/h2*1-38H/i1D,4D,5D,12D,13D,14D,17D,20D,23D,24D,25D,26D,29D,30D,34D,35D,37D;12D,17D,20D,37D.

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

2,3,4,6-tetradeuterio-5-(9-phenylcarbazol-3-yl)-N-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]aniline;2,3,4,6-tetradeuterio-5-(9-phenylcarbazol-3-yl)-N-(4-phenylphenyl)-N-[2,3,5,6-tetradeuterio-4-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]phenyl]aniline has a molecular weight of 1450.95 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-(4-phenylphenyl)phenyl]aniline;2,3,4,6-tetradeuterio-5-(9-phenylcarbazol-3-yl)-N-(4-phenylphenyl)-N-[2,3,5,6-tetradeuterio-4-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]phenyl]aniline is sourced from PubChem (CID 167679487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).