1,2,3,4,5,6,7,8-octadeuterio-9-[2,3,4,5,6,7,8-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]carbazol-1-yl]carbazole

C48H33N3 — CID 170660013

About 1,2,3,4,5,6,7,8-octadeuterio-9-[2,3,4,5,6,7,8-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]carbazol-1-yl]carbazole

1,2,3,4,5,6,7,8-octadeuterio-9-[2,3,4,5,6,7,8-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]carbazol-1-yl]carbazole (PubChem CID 170660013) has the molecular formula C48H33N3 and a molecular weight of 683.00 g/mol. Its IUPAC name is 1,2,3,4,5,6,7,8-octadeuterio-9-[2,3,4,5,6,7,8-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]carbazol-1-yl]carbazole.

Molecular Properties

• Compound Name: 1,2,3,4,5,6,7,8-octadeuterio-9-[2,3,4,5,6,7,8-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]carbazol-1-yl]carbazole
• PubChem CID: 170660013
• Molecular Formula: C48H33N3
• Molecular Weight: 683.00 g/mol
• Exact Mass: 682.46
• IUPAC Name: 1,2,3,4,5,6,7,8-octadeuterio-9-[2,3,4,5,6,7,8-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]carbazol-1-yl]carbazole
• SMILES: [2H]C1=C(n2c3c([2H])c([2H])c([2H])c([2H])c3c3c([2H])c([2H])c([2H])c(-n4c5c([2H])c([2H])c([2H])c([2H])c5c5c([2H])c([2H])c([2H])c([2H])c54)c32)c2c(n(-c3c([2H])c([2H])c(-c4c([2H])c([2H])c([2H])c([2H])c4[2H])c([2H])c3[2H])c3c([2H])c([2H])c([2H])c([2H])c23)C([2H])C1[2H]
• InChI: InChI=1S/C48H33N3/c1-2-14-32(15-3-1)33-28-30-34(31-29-33)49-43-24-11-7-19-39(43)47-44(49)25-13-26-45(47)51-42-23-10-6-18-37(42)38-20-12-27-46(48(38)51)50-40-21-8-4-16-35(40)36-17-5-9-22-41(36)50/h1-12,14-24,26-31H,13,25H2/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: JLHIWQKGZWFOPI-PHSLBPHISA-N
• XLogP: 12.34
• 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	683.00
LogP ≤ 5	12.34
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 1,2,3,4,5,6,7,8-octadeuterio-9-[2,3,4,5,6,7,8-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]carbazol-1-yl]carbazole?

The IUPAC name of 1,2,3,4,5,6,7,8-octadeuterio-9-[2,3,4,5,6,7,8-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]carbazol-1-yl]carbazole (CID 170660013) is 1,2,3,4,5,6,7,8-octadeuterio-9-[2,3,4,5,6,7,8-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]carbazol-1-yl]carbazole.

What is the SMILES notation for 1,2,3,4,5,6,7,8-octadeuterio-9-[2,3,4,5,6,7,8-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]carbazol-1-yl]carbazole?

The canonical SMILES for 1,2,3,4,5,6,7,8-octadeuterio-9-[2,3,4,5,6,7,8-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]carbazol-1-yl]carbazole is [2H]C1=C(n2c3c([2H])c([2H])c([2H])c([2H])c3c3c([2H])c([2H])c([2H])c(-n4c5c([2H])c([2H])c([2H])c([2H])c5c5c([2H])c([2H])c([2H])c([2H])c54)c32)c2c(n(-c3c([2H])c([2H])c(-c4c([2H])c([2H])c([2H])c([2H])c4[2H])c([2H])c3[2H])c3c([2H])c([2H])c([2H])c([2H])c23)C([2H])C1[2H].

What is the InChIKey of 1,2,3,4,5,6,7,8-octadeuterio-9-[2,3,4,5,6,7,8-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]carbazol-1-yl]carbazole?

The InChIKey is JLHIWQKGZWFOPI-PHSLBPHISA-N. The full InChI is InChI=1S/C48H33N3/c1-2-14-32(15-3-1)33-28-30-34(31-29-33)49-43-24-11-7-19-39(43)47-44(49)25-13-26-45(47)51-42-23-10-6-18-37(42)38-20-12-27-46(48(38)51)50-40-21-8-4-16-35(40)36-17-5-9-22-41(36)50/h1-12,14-24,26-31H,13,25H2/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 1,2,3,4,5,6,7,8-octadeuterio-9-[2,3,4,5,6,7,8-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]carbazol-1-yl]carbazole?

1,2,3,4,5,6,7,8-octadeuterio-9-[2,3,4,5,6,7,8-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]carbazol-1-yl]carbazole has a molecular weight of 683.00 g/mol, XLogP of 12.34, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 1,2,3,4,5,6,7,8-octadeuterio-9-[2,3,4,5,6,7,8-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]carbazol-1-yl]carbazole is sourced from PubChem (CID 170660013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).