2,3,4,5,6,7-hexadeuterio-9-[3-(2,3,4,5,6,7-hexadeuteriocarbazol-9-yl)phenyl]carbazole

C30H20N2 — CID 59844805

IUPAC2,3,4,5,6,7-hexadeuterio-9-[3-(2,3,4,5,6,7-hexadeuteriocarbazol-9-yl)phenyl]carbazole
SMILES[2H]c1cc2c(c([2H])c1[2H])c1c([2H])c([2H])c([2H])cc1n2-c1cccc(-n2c3cc([2H])c([2H])c([2H])c3c3c([2H])c([2H])c([2H])cc32)c1
InChIInChI=1S/C30H20N2/c1-5-16-27-23(12-1)24-13-2-6-17-28(24)31(27)21-10-9-11-22(20-21)32-29-18-7-3-14-25(29)26-15-4-8-19-30(26)32/h1-20H/i1D,2D,3D,4D,5D,6D,7D,8D,12D,13D,14D,15D
InChIKeyMZYDBGLUVPLRKR-ADTURKIFSA-N
MW420.58 g/mol
LogP7.88
Rot. Bonds2

About 2,3,4,5,6,7-hexadeuterio-9-[3-(2,3,4,5,6,7-hexadeuteriocarbazol-9-yl)phenyl]carbazole

2,3,4,5,6,7-hexadeuterio-9-[3-(2,3,4,5,6,7-hexadeuteriocarbazol-9-yl)phenyl]carbazole (PubChem CID 59844805) has the molecular formula C30H20N2 and a molecular weight of 420.58 g/mol. Its IUPAC name is 2,3,4,5,6,7-hexadeuterio-9-[3-(2,3,4,5,6,7-hexadeuteriocarbazol-9-yl)phenyl]carbazole.

Molecular Properties

Compound Name2,3,4,5,6,7-hexadeuterio-9-[3-(2,3,4,5,6,7-hexadeuteriocarbazol-9-yl)phenyl]carbazole
PubChem CID59844805
Molecular FormulaC30H20N2
Molecular Weight420.58 g/mol
Exact Mass420.24
IUPAC Name2,3,4,5,6,7-hexadeuterio-9-[3-(2,3,4,5,6,7-hexadeuteriocarbazol-9-yl)phenyl]carbazole
SMILES[2H]c1cc2c(c([2H])c1[2H])c1c([2H])c([2H])c([2H])cc1n2-c1cccc(-n2c3cc([2H])c([2H])c([2H])c3c3c([2H])c([2H])c([2H])cc32)c1
InChIInChI=1S/C30H20N2/c1-5-16-27-23(12-1)24-13-2-6-17-28(24)31(27)21-10-9-11-22(20-21)32-29-18-7-3-14-25(29)26-15-4-8-19-30(26)32/h1-20H/i1D,2D,3D,4D,5D,6D,7D,8D,12D,13D,14D,15D
InChIKeyMZYDBGLUVPLRKR-ADTURKIFSA-N
XLogP7.88
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500420.58
LogP ≤ 57.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-tert-butyl-9-[3-[3-(3-tert-butyl-1,2,4,5,6,7,8-heptadeuteriocarbazol-9-yl)phenyl]phenyl]-1,2,4,5,6,7,8-heptadeuteriocarbazole;2,3,4,5,6,7-hexadeuterio-9-[3-[3-(2,3,4,5,6,7-hexadeuteriocarbazol-9-yl)phenyl]phenyl]carbazole
CID 159033377
1,2,3,4,5,6,7,8-octadeuterio-9-[3-[1,2,3,4,5,7,8-heptadeuterio-6-(1,2,3,4,5,6,8-heptadeuterio-7-methylcarbazol-9-yl)carbazol-9-yl]phenyl]carbazole
CID 164979806
1,2,3,4,5,6,7,8-octadeuterio-9-[1,2,4,5,6,7,8-heptadeuterio-9-[3-[3-(2,3,4,5,6-pentadeuteriophenyl)phenyl]phenyl]carbazol-3-yl]carbazole
CID 170518251
1,2,3,4-tetradeuterio-9-[9-[3-(2,3,4,5,6-pentadeuteriophenyl)phenyl]carbazol-3-yl]carbazole
CID 170517488
1,2,3,4,5,6,7,8-octadeuterio-9-[2,4-dideuterio-3,5-bis(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)phenyl]carbazole
CID 59270844
1,2,3,4,5,7,8-heptadeuterio-9-phenylcarbazole
CID 164843391
1,2,3,4,5,6,7,8-octadeuterio-9-[1,2,4,5,6,7,8-heptadeuterio-9-(3-triphenylen-2-ylphenyl)carbazol-3-yl]carbazole
CID 164788576
1,2,3,4-tetradeuterio-9-[9-[3-(2,4,6-trideuteriophenyl)phenyl]carbazol-3-yl]carbazole
CID 170517583
9-[3-[3-[4,6-bis(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]-1,2,3,4,5,6,7,8-octadeuteriocarbazole
CID 166046909
9-(3-carbazol-9-ylphenyl)carbazole;methane
CID 157215827
3-bromo-1,2,4,5,6,7,8-heptadeuterio-9-[1,2,4,5,6,7,8-heptadeuterio-9-[3-(2,3,4,5,6-pentadeuteriophenyl)phenyl]carbazol-3-yl]carbazole
CID 170517677
1,2,3,4,5,6,7,8-octadeuterio-9-[9-[3-(4-deuteriophenyl)phenyl]carbazol-4-yl]carbazole
CID 170517472

Frequently Asked Questions

What is the IUPAC name of 2,3,4,5,6,7-hexadeuterio-9-[3-(2,3,4,5,6,7-hexadeuteriocarbazol-9-yl)phenyl]carbazole?
The IUPAC name of 2,3,4,5,6,7-hexadeuterio-9-[3-(2,3,4,5,6,7-hexadeuteriocarbazol-9-yl)phenyl]carbazole (CID 59844805) is 2,3,4,5,6,7-hexadeuterio-9-[3-(2,3,4,5,6,7-hexadeuteriocarbazol-9-yl)phenyl]carbazole.
What is the SMILES notation for 2,3,4,5,6,7-hexadeuterio-9-[3-(2,3,4,5,6,7-hexadeuteriocarbazol-9-yl)phenyl]carbazole?
The canonical SMILES for 2,3,4,5,6,7-hexadeuterio-9-[3-(2,3,4,5,6,7-hexadeuteriocarbazol-9-yl)phenyl]carbazole is [2H]c1cc2c(c([2H])c1[2H])c1c([2H])c([2H])c([2H])cc1n2-c1cccc(-n2c3cc([2H])c([2H])c([2H])c3c3c([2H])c([2H])c([2H])cc32)c1.
What is the InChIKey of 2,3,4,5,6,7-hexadeuterio-9-[3-(2,3,4,5,6,7-hexadeuteriocarbazol-9-yl)phenyl]carbazole?
The InChIKey is MZYDBGLUVPLRKR-ADTURKIFSA-N. The full InChI is InChI=1S/C30H20N2/c1-5-16-27-23(12-1)24-13-2-6-17-28(24)31(27)21-10-9-11-22(20-21)32-29-18-7-3-14-25(29)26-15-4-8-19-30(26)32/h1-20H/i1D,2D,3D,4D,5D,6D,7D,8D,12D,13D,14D,15D.
What are the key properties of 2,3,4,5,6,7-hexadeuterio-9-[3-(2,3,4,5,6,7-hexadeuteriocarbazol-9-yl)phenyl]carbazole?
2,3,4,5,6,7-hexadeuterio-9-[3-(2,3,4,5,6,7-hexadeuteriocarbazol-9-yl)phenyl]carbazole has a molecular weight of 420.58 g/mol, XLogP of 7.88, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4,5,6,7-hexadeuterio-9-[3-(2,3,4,5,6,7-hexadeuteriocarbazol-9-yl)phenyl]carbazole is sourced from PubChem (CID 59844805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).