1,2,3,4,5,7,8-heptadeuterio-9-[1,2,3,5,6,7,8-heptadeuterio-9-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-1,2-dihydrocarbazol-4-yl]-6-(1,2,3,4,5,6,7,8-octadeuterio-3,4-dihydrocarbazol-9-yl)carbazole

C48H35N3 — CID 170659806

About 1,2,3,4,5,7,8-heptadeuterio-9-[1,2,3,5,6,7,8-heptadeuterio-9-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-1,2-dihydrocarbazol-4-yl]-6-(1,2,3,4,5,6,7,8-octadeuterio-3,4-dihydrocarbazol-9-yl)carbazole

1,2,3,4,5,7,8-heptadeuterio-9-[1,2,3,5,6,7,8-heptadeuterio-9-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-1,2-dihydrocarbazol-4-yl]-6-(1,2,3,4,5,6,7,8-octadeuterio-3,4-dihydrocarbazol-9-yl)carbazole (PubChem CID 170659806) has the molecular formula C48H35N3 and a molecular weight of 685.02 g/mol. Its IUPAC name is 1,2,3,4,5,7,8-heptadeuterio-9-[1,2,3,5,6,7,8-heptadeuterio-9-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-1,2-dihydrocarbazol-4-yl]-6-(1,2,3,4,5,6,7,8-octadeuterio-3,4-dihydrocarbazol-9-yl)carbazole.

Molecular Properties

• Compound Name: 1,2,3,4,5,7,8-heptadeuterio-9-[1,2,3,5,6,7,8-heptadeuterio-9-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-1,2-dihydrocarbazol-4-yl]-6-(1,2,3,4,5,6,7,8-octadeuterio-3,4-dihydrocarbazol-9-yl)carbazole
• PubChem CID: 170659806
• Molecular Formula: C48H35N3
• Molecular Weight: 685.02 g/mol
• Exact Mass: 684.48
• IUPAC Name: 1,2,3,4,5,7,8-heptadeuterio-9-[1,2,3,5,6,7,8-heptadeuterio-9-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-1,2-dihydrocarbazol-4-yl]-6-(1,2,3,4,5,6,7,8-octadeuterio-3,4-dihydrocarbazol-9-yl)carbazole
• SMILES: [2H]C1=C([2H])C([2H])C([2H])c2c1n(-c1c([2H])c([2H])c3c(c1[2H])c1c([2H])c([2H])c([2H])c([2H])c1n3C1=C([2H])C([2H])C([2H])c3c1c1c([2H])c([2H])c([2H])c([2H])c1n3-c1c([2H])c([2H])c(-c3c([2H])c([2H])c([2H])c([2H])c3[2H])c([2H])c1[2H])c1c([2H])c([2H])c([2H])c([2H])c21
• InChI: InChI=1S/C48H35N3/c1-2-13-32(14-3-1)33-25-27-34(28-26-33)49-44-22-11-7-18-39(44)48-46(49)23-12-24-47(48)51-43-21-10-6-17-38(43)40-31-35(29-30-45(40)51)50-41-19-8-4-15-36(41)37-16-5-9-20-42(37)50/h1-4,6-11,13-15,17-22,24-31H,5,12,16,23H2/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,30D,31D
• InChIKey: NLFJHIKMZLSQGJ-PHSLBPHISA-N
• XLogP: 12.14
• TPSA: 14.79 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 4
• Heavy Atoms: 51
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	685.02
LogP ≤ 5	12.14
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-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-1,2-dihydrocarbazol-4-yl]-6-(1,2,3,4,5,6,7,8-octadeuterio-3,4-dihydrocarbazol-9-yl)carbazole?

The IUPAC name of 1,2,3,4,5,7,8-heptadeuterio-9-[1,2,3,5,6,7,8-heptadeuterio-9-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-1,2-dihydrocarbazol-4-yl]-6-(1,2,3,4,5,6,7,8-octadeuterio-3,4-dihydrocarbazol-9-yl)carbazole (CID 170659806) is 1,2,3,4,5,7,8-heptadeuterio-9-[1,2,3,5,6,7,8-heptadeuterio-9-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-1,2-dihydrocarbazol-4-yl]-6-(1,2,3,4,5,6,7,8-octadeuterio-3,4-dihydrocarbazol-9-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-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-1,2-dihydrocarbazol-4-yl]-6-(1,2,3,4,5,6,7,8-octadeuterio-3,4-dihydrocarbazol-9-yl)carbazole?

The canonical SMILES for 1,2,3,4,5,7,8-heptadeuterio-9-[1,2,3,5,6,7,8-heptadeuterio-9-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-1,2-dihydrocarbazol-4-yl]-6-(1,2,3,4,5,6,7,8-octadeuterio-3,4-dihydrocarbazol-9-yl)carbazole is [2H]C1=C([2H])C([2H])C([2H])c2c1n(-c1c([2H])c([2H])c3c(c1[2H])c1c([2H])c([2H])c([2H])c([2H])c1n3C1=C([2H])C([2H])C([2H])c3c1c1c([2H])c([2H])c([2H])c([2H])c1n3-c1c([2H])c([2H])c(-c3c([2H])c([2H])c([2H])c([2H])c3[2H])c([2H])c1[2H])c1c([2H])c([2H])c([2H])c([2H])c21.

What is the InChIKey of 1,2,3,4,5,7,8-heptadeuterio-9-[1,2,3,5,6,7,8-heptadeuterio-9-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-1,2-dihydrocarbazol-4-yl]-6-(1,2,3,4,5,6,7,8-octadeuterio-3,4-dihydrocarbazol-9-yl)carbazole?

The InChIKey is NLFJHIKMZLSQGJ-PHSLBPHISA-N. The full InChI is InChI=1S/C48H35N3/c1-2-13-32(14-3-1)33-25-27-34(28-26-33)49-44-22-11-7-18-39(44)48-46(49)23-12-24-47(48)51-43-21-10-6-17-38(43)40-31-35(29-30-45(40)51)50-41-19-8-4-15-36(41)37-16-5-9-20-42(37)50/h1-4,6-11,13-15,17-22,24-31H,5,12,16,23H2/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,30D,31D.

What are the key properties of 1,2,3,4,5,7,8-heptadeuterio-9-[1,2,3,5,6,7,8-heptadeuterio-9-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-1,2-dihydrocarbazol-4-yl]-6-(1,2,3,4,5,6,7,8-octadeuterio-3,4-dihydrocarbazol-9-yl)carbazole?

1,2,3,4,5,7,8-heptadeuterio-9-[1,2,3,5,6,7,8-heptadeuterio-9-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-1,2-dihydrocarbazol-4-yl]-6-(1,2,3,4,5,6,7,8-octadeuterio-3,4-dihydrocarbazol-9-yl)carbazole has a molecular weight of 685.02 g/mol, XLogP of 12.14, 4 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-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-1,2-dihydrocarbazol-4-yl]-6-(1,2,3,4,5,6,7,8-octadeuterio-3,4-dihydrocarbazol-9-yl)carbazole is sourced from PubChem (CID 170659806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).