1,2,3,4,5,7,8-heptadeuterio-6-[1,2,4,5,6,7,8-heptadeuterio-9-[2,4-dideuterio-3,5-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]carbazol-3-yl]-9-(2,3,4,5,6-pentadeuteriophenyl)carbazole

C48H32N2 — CID 168748970

About 1,2,3,4,5,7,8-heptadeuterio-6-[1,2,4,5,6,7,8-heptadeuterio-9-[2,4-dideuterio-3,5-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]carbazol-3-yl]-9-(2,3,4,5,6-pentadeuteriophenyl)carbazole

1,2,3,4,5,7,8-heptadeuterio-6-[1,2,4,5,6,7,8-heptadeuterio-9-[2,4-dideuterio-3,5-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]carbazol-3-yl]-9-(2,3,4,5,6-pentadeuteriophenyl)carbazole (PubChem CID 168748970) has the molecular formula C48H32N2 and a molecular weight of 667.99 g/mol. Its IUPAC name is 1,2,3,4,5,7,8-heptadeuterio-6-[1,2,4,5,6,7,8-heptadeuterio-9-[2,4-dideuterio-3,5-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]carbazol-3-yl]-9-(2,3,4,5,6-pentadeuteriophenyl)carbazole.

Molecular Properties

• Compound Name: 1,2,3,4,5,7,8-heptadeuterio-6-[1,2,4,5,6,7,8-heptadeuterio-9-[2,4-dideuterio-3,5-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]carbazol-3-yl]-9-(2,3,4,5,6-pentadeuteriophenyl)carbazole
• PubChem CID: 168748970
• Molecular Formula: C48H32N2
• Molecular Weight: 667.99 g/mol
• Exact Mass: 667.45
• IUPAC Name: 1,2,3,4,5,7,8-heptadeuterio-6-[1,2,4,5,6,7,8-heptadeuterio-9-[2,4-dideuterio-3,5-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]carbazol-3-yl]-9-(2,3,4,5,6-pentadeuteriophenyl)carbazole
• SMILES: [2H]c1c([2H])c([2H])c(-c2cc(-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-c5c([2H])c([2H])c([2H])c([2H])c5[2H])c([2H])c([2H])c43)c([2H])c(-c3c([2H])c([2H])c([2H])c([2H])c3[2H])c2[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,3D,4D,5D,6D,7D,8D,9D,10D,11D,12D,13D,14D,15D,16D,17D,18D,19D,20D,21D,22D,23D,24D,25D,26D,27D,28D,29D,31D,32D
• InChIKey: ODPDFAOWLJJDBA-KHBHIDPMSA-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	667.99
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-[2,4-dideuterio-3,5-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]carbazol-3-yl]-9-(2,3,4,5,6-pentadeuteriophenyl)carbazole?

The IUPAC name of 1,2,3,4,5,7,8-heptadeuterio-6-[1,2,4,5,6,7,8-heptadeuterio-9-[2,4-dideuterio-3,5-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]carbazol-3-yl]-9-(2,3,4,5,6-pentadeuteriophenyl)carbazole (CID 168748970) is 1,2,3,4,5,7,8-heptadeuterio-6-[1,2,4,5,6,7,8-heptadeuterio-9-[2,4-dideuterio-3,5-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]carbazol-3-yl]-9-(2,3,4,5,6-pentadeuteriophenyl)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-[2,4-dideuterio-3,5-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]carbazol-3-yl]-9-(2,3,4,5,6-pentadeuteriophenyl)carbazole?

The canonical SMILES for 1,2,3,4,5,7,8-heptadeuterio-6-[1,2,4,5,6,7,8-heptadeuterio-9-[2,4-dideuterio-3,5-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]carbazol-3-yl]-9-(2,3,4,5,6-pentadeuteriophenyl)carbazole is [2H]c1c([2H])c([2H])c(-c2cc(-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-c5c([2H])c([2H])c([2H])c([2H])c5[2H])c([2H])c([2H])c43)c([2H])c(-c3c([2H])c([2H])c([2H])c([2H])c3[2H])c2[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-[2,4-dideuterio-3,5-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]carbazol-3-yl]-9-(2,3,4,5,6-pentadeuteriophenyl)carbazole?

The InChIKey is ODPDFAOWLJJDBA-KHBHIDPMSA-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,3D,4D,5D,6D,7D,8D,9D,10D,11D,12D,13D,14D,15D,16D,17D,18D,19D,20D,21D,22D,23D,24D,25D,26D,27D,28D,29D,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-[2,4-dideuterio-3,5-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]carbazol-3-yl]-9-(2,3,4,5,6-pentadeuteriophenyl)carbazole?

1,2,3,4,5,7,8-heptadeuterio-6-[1,2,4,5,6,7,8-heptadeuterio-9-[2,4-dideuterio-3,5-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]carbazol-3-yl]-9-(2,3,4,5,6-pentadeuteriophenyl)carbazole has a molecular weight of 667.99 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-[2,4-dideuterio-3,5-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]carbazol-3-yl]-9-(2,3,4,5,6-pentadeuteriophenyl)carbazole is sourced from PubChem (CID 168748970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).