1,2,3,4,5,7,8-heptadeuterio-9-[1,2,3,5,6,7,8-heptadeuterio-9-(4-phenylphenyl)carbazol-4-yl]-6-(2,4,5,6,7,8-hexadeuterio-9-phenylcarbazol-3-yl)carbazole

C54H35N3 — CID 177269997

About 1,2,3,4,5,7,8-heptadeuterio-9-[1,2,3,5,6,7,8-heptadeuterio-9-(4-phenylphenyl)carbazol-4-yl]-6-(2,4,5,6,7,8-hexadeuterio-9-phenylcarbazol-3-yl)carbazole

1,2,3,4,5,7,8-heptadeuterio-9-[1,2,3,5,6,7,8-heptadeuterio-9-(4-phenylphenyl)carbazol-4-yl]-6-(2,4,5,6,7,8-hexadeuterio-9-phenylcarbazol-3-yl)carbazole (PubChem CID 177269997) has the molecular formula C54H35N3 and a molecular weight of 746.02 g/mol. Its IUPAC name is 1,2,3,4,5,7,8-heptadeuterio-9-[1,2,3,5,6,7,8-heptadeuterio-9-(4-phenylphenyl)carbazol-4-yl]-6-(2,4,5,6,7,8-hexadeuterio-9-phenylcarbazol-3-yl)carbazole.

Molecular Properties

• Compound Name: 1,2,3,4,5,7,8-heptadeuterio-9-[1,2,3,5,6,7,8-heptadeuterio-9-(4-phenylphenyl)carbazol-4-yl]-6-(2,4,5,6,7,8-hexadeuterio-9-phenylcarbazol-3-yl)carbazole
• PubChem CID: 177269997
• Molecular Formula: C54H35N3
• Molecular Weight: 746.02 g/mol
• Exact Mass: 745.41
• IUPAC Name: 1,2,3,4,5,7,8-heptadeuterio-9-[1,2,3,5,6,7,8-heptadeuterio-9-(4-phenylphenyl)carbazol-4-yl]-6-(2,4,5,6,7,8-hexadeuterio-9-phenylcarbazol-3-yl)carbazole
• SMILES: [2H]c1cc2c(c([2H])c1-c1c([2H])c([2H])c3c(c1[2H])c1c([2H])c([2H])c([2H])c([2H])c1n3-c1c([2H])c([2H])c([2H])c3c1c1c([2H])c([2H])c([2H])c([2H])c1n3-c1ccc(-c3ccccc3)cc1)c1c([2H])c([2H])c([2H])c([2H])c1n2-c1ccccc1
• InChI: InChI=1S/C54H35N3/c1-3-14-36(15-4-1)37-26-30-41(31-27-37)56-49-23-12-9-20-44(49)54-52(56)24-13-25-53(54)57-48-22-11-8-19-43(48)46-35-39(29-33-51(46)57)38-28-32-50-45(34-38)42-18-7-10-21-47(42)55(50)40-16-5-2-6-17-40/h1-35H/i7D,8D,9D,10D,11D,12D,13D,18D,19D,20D,21D,22D,23D,24D,25D,28D,29D,33D,34D,35D
• InChIKey: JLKWVJJTPCXVPZ-QDMKNCPTSA-N
• XLogP: 14.31
• TPSA: 14.79 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 5
• Heavy Atoms: 57
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	746.02
LogP ≤ 5	14.31
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 1,2,3,4,5,7,8-heptadeuterio-9-[1,2,3,5,6,7,8-heptadeuterio-9-(4-phenylphenyl)carbazol-4-yl]-6-(2,4,5,6,7,8-hexadeuterio-9-phenylcarbazol-3-yl)carbazole?

The IUPAC name of 1,2,3,4,5,7,8-heptadeuterio-9-[1,2,3,5,6,7,8-heptadeuterio-9-(4-phenylphenyl)carbazol-4-yl]-6-(2,4,5,6,7,8-hexadeuterio-9-phenylcarbazol-3-yl)carbazole (CID 177269997) is 1,2,3,4,5,7,8-heptadeuterio-9-[1,2,3,5,6,7,8-heptadeuterio-9-(4-phenylphenyl)carbazol-4-yl]-6-(2,4,5,6,7,8-hexadeuterio-9-phenylcarbazol-3-yl)carbazole.

What is the SMILES notation for 1,2,3,4,5,7,8-heptadeuterio-9-[1,2,3,5,6,7,8-heptadeuterio-9-(4-phenylphenyl)carbazol-4-yl]-6-(2,4,5,6,7,8-hexadeuterio-9-phenylcarbazol-3-yl)carbazole?

The canonical SMILES for 1,2,3,4,5,7,8-heptadeuterio-9-[1,2,3,5,6,7,8-heptadeuterio-9-(4-phenylphenyl)carbazol-4-yl]-6-(2,4,5,6,7,8-hexadeuterio-9-phenylcarbazol-3-yl)carbazole is [2H]c1cc2c(c([2H])c1-c1c([2H])c([2H])c3c(c1[2H])c1c([2H])c([2H])c([2H])c([2H])c1n3-c1c([2H])c([2H])c([2H])c3c1c1c([2H])c([2H])c([2H])c([2H])c1n3-c1ccc(-c3ccccc3)cc1)c1c([2H])c([2H])c([2H])c([2H])c1n2-c1ccccc1.

What is the InChIKey of 1,2,3,4,5,7,8-heptadeuterio-9-[1,2,3,5,6,7,8-heptadeuterio-9-(4-phenylphenyl)carbazol-4-yl]-6-(2,4,5,6,7,8-hexadeuterio-9-phenylcarbazol-3-yl)carbazole?

The InChIKey is JLKWVJJTPCXVPZ-QDMKNCPTSA-N. The full InChI is InChI=1S/C54H35N3/c1-3-14-36(15-4-1)37-26-30-41(31-27-37)56-49-23-12-9-20-44(49)54-52(56)24-13-25-53(54)57-48-22-11-8-19-43(48)46-35-39(29-33-51(46)57)38-28-32-50-45(34-38)42-18-7-10-21-47(42)55(50)40-16-5-2-6-17-40/h1-35H/i7D,8D,9D,10D,11D,12D,13D,18D,19D,20D,21D,22D,23D,24D,25D,28D,29D,33D,34D,35D.

What are the key properties of 1,2,3,4,5,7,8-heptadeuterio-9-[1,2,3,5,6,7,8-heptadeuterio-9-(4-phenylphenyl)carbazol-4-yl]-6-(2,4,5,6,7,8-hexadeuterio-9-phenylcarbazol-3-yl)carbazole?

1,2,3,4,5,7,8-heptadeuterio-9-[1,2,3,5,6,7,8-heptadeuterio-9-(4-phenylphenyl)carbazol-4-yl]-6-(2,4,5,6,7,8-hexadeuterio-9-phenylcarbazol-3-yl)carbazole has a molecular weight of 746.02 g/mol, XLogP of 14.31, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 1,2,3,4,5,7,8-heptadeuterio-9-[1,2,3,5,6,7,8-heptadeuterio-9-(4-phenylphenyl)carbazol-4-yl]-6-(2,4,5,6,7,8-hexadeuterio-9-phenylcarbazol-3-yl)carbazole is sourced from PubChem (CID 177269997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).