1,2,3,4,5,7,8-heptadeuterio-6-(1,2,4,5,6,7,8-heptadeuterio-9-phenylcarbazol-3-yl)-9-[2,4,6-trideuterio-3,5-bis(2,3,4,5-tetradeuteriophenyl)phenyl]carbazole

C48H32N2 — CID 172513733

About 1,2,3,4,5,7,8-heptadeuterio-6-(1,2,4,5,6,7,8-heptadeuterio-9-phenylcarbazol-3-yl)-9-[2,4,6-trideuterio-3,5-bis(2,3,4,5-tetradeuteriophenyl)phenyl]carbazole

1,2,3,4,5,7,8-heptadeuterio-6-(1,2,4,5,6,7,8-heptadeuterio-9-phenylcarbazol-3-yl)-9-[2,4,6-trideuterio-3,5-bis(2,3,4,5-tetradeuteriophenyl)phenyl]carbazole (PubChem CID 172513733) has the molecular formula C48H32N2 and a molecular weight of 661.95 g/mol. Its IUPAC name is 1,2,3,4,5,7,8-heptadeuterio-6-(1,2,4,5,6,7,8-heptadeuterio-9-phenylcarbazol-3-yl)-9-[2,4,6-trideuterio-3,5-bis(2,3,4,5-tetradeuteriophenyl)phenyl]carbazole.

Molecular Properties

• Compound Name: 1,2,3,4,5,7,8-heptadeuterio-6-(1,2,4,5,6,7,8-heptadeuterio-9-phenylcarbazol-3-yl)-9-[2,4,6-trideuterio-3,5-bis(2,3,4,5-tetradeuteriophenyl)phenyl]carbazole
• PubChem CID: 172513733
• Molecular Formula: C48H32N2
• Molecular Weight: 661.95 g/mol
• Exact Mass: 661.41
• IUPAC Name: 1,2,3,4,5,7,8-heptadeuterio-6-(1,2,4,5,6,7,8-heptadeuterio-9-phenylcarbazol-3-yl)-9-[2,4,6-trideuterio-3,5-bis(2,3,4,5-tetradeuteriophenyl)phenyl]carbazole
• SMILES: [2H]c1cc(-c2c([2H])c(-c3cc([2H])c([2H])c([2H])c3[2H])c([2H])c(-n3c4c([2H])c([2H])c([2H])c([2H])c4c4c([2H])c(-c5c([2H])c([2H])c6c(c5[2H])c5c([2H])c([2H])c([2H])c([2H])c5n6-c5ccccc5)c([2H])c([2H])c43)c2[2H])c([2H])c([2H])c1[2H]
• InChI: InChI=1S/C48H32N2/c1-4-14-33(15-5-1)37-28-38(34-16-6-2-7-17-34)30-40(29-37)50-46-23-13-11-21-42(46)44-32-36(25-27-48(44)50)35-24-26-47-43(31-35)41-20-10-12-22-45(41)49(47)39-18-8-3-9-19-39/h1-32H/i1D,2D,4D,5D,6D,7D,10D,11D,12D,13D,14D,16D,20D,21D,22D,23D,24D,25D,26D,27D,28D,29D,30D,31D,32D
• InChIKey: ODPDFAOWLJJDBA-MMMSSRKGSA-N
• XLogP: 12.88
• TPSA: 9.86 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 5
• Heavy Atoms: 50
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	661.95
LogP ≤ 5	12.88
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of 1,2,3,4,5,7,8-heptadeuterio-6-(1,2,4,5,6,7,8-heptadeuterio-9-phenylcarbazol-3-yl)-9-[2,4,6-trideuterio-3,5-bis(2,3,4,5-tetradeuteriophenyl)phenyl]carbazole?

The IUPAC name of 1,2,3,4,5,7,8-heptadeuterio-6-(1,2,4,5,6,7,8-heptadeuterio-9-phenylcarbazol-3-yl)-9-[2,4,6-trideuterio-3,5-bis(2,3,4,5-tetradeuteriophenyl)phenyl]carbazole (CID 172513733) is 1,2,3,4,5,7,8-heptadeuterio-6-(1,2,4,5,6,7,8-heptadeuterio-9-phenylcarbazol-3-yl)-9-[2,4,6-trideuterio-3,5-bis(2,3,4,5-tetradeuteriophenyl)phenyl]carbazole.

What is the SMILES notation for 1,2,3,4,5,7,8-heptadeuterio-6-(1,2,4,5,6,7,8-heptadeuterio-9-phenylcarbazol-3-yl)-9-[2,4,6-trideuterio-3,5-bis(2,3,4,5-tetradeuteriophenyl)phenyl]carbazole?

The canonical SMILES for 1,2,3,4,5,7,8-heptadeuterio-6-(1,2,4,5,6,7,8-heptadeuterio-9-phenylcarbazol-3-yl)-9-[2,4,6-trideuterio-3,5-bis(2,3,4,5-tetradeuteriophenyl)phenyl]carbazole is [2H]c1cc(-c2c([2H])c(-c3cc([2H])c([2H])c([2H])c3[2H])c([2H])c(-n3c4c([2H])c([2H])c([2H])c([2H])c4c4c([2H])c(-c5c([2H])c([2H])c6c(c5[2H])c5c([2H])c([2H])c([2H])c([2H])c5n6-c5ccccc5)c([2H])c([2H])c43)c2[2H])c([2H])c([2H])c1[2H].

What is the InChIKey of 1,2,3,4,5,7,8-heptadeuterio-6-(1,2,4,5,6,7,8-heptadeuterio-9-phenylcarbazol-3-yl)-9-[2,4,6-trideuterio-3,5-bis(2,3,4,5-tetradeuteriophenyl)phenyl]carbazole?

The InChIKey is ODPDFAOWLJJDBA-MMMSSRKGSA-N. The full InChI is InChI=1S/C48H32N2/c1-4-14-33(15-5-1)37-28-38(34-16-6-2-7-17-34)30-40(29-37)50-46-23-13-11-21-42(46)44-32-36(25-27-48(44)50)35-24-26-47-43(31-35)41-20-10-12-22-45(41)49(47)39-18-8-3-9-19-39/h1-32H/i1D,2D,4D,5D,6D,7D,10D,11D,12D,13D,14D,16D,20D,21D,22D,23D,24D,25D,26D,27D,28D,29D,30D,31D,32D.

What are the key properties of 1,2,3,4,5,7,8-heptadeuterio-6-(1,2,4,5,6,7,8-heptadeuterio-9-phenylcarbazol-3-yl)-9-[2,4,6-trideuterio-3,5-bis(2,3,4,5-tetradeuteriophenyl)phenyl]carbazole?

1,2,3,4,5,7,8-heptadeuterio-6-(1,2,4,5,6,7,8-heptadeuterio-9-phenylcarbazol-3-yl)-9-[2,4,6-trideuterio-3,5-bis(2,3,4,5-tetradeuteriophenyl)phenyl]carbazole has a molecular weight of 661.95 g/mol, XLogP of 12.88, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 1,2,3,4,5,7,8-heptadeuterio-6-(1,2,4,5,6,7,8-heptadeuterio-9-phenylcarbazol-3-yl)-9-[2,4,6-trideuterio-3,5-bis(2,3,4,5-tetradeuteriophenyl)phenyl]carbazole is sourced from PubChem (CID 172513733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).