1,2,3,4,5,6,7,8-octadeuterio-9-[2-fluoro-5-(2,3,4,5,6-pentadeuteriophenyl)phenyl]carbazole

C24H16FN — CID 177132627

IUPAC1,2,3,4,5,6,7,8-octadeuterio-9-[2-fluoro-5-(2,3,4,5,6-pentadeuteriophenyl)phenyl]carbazole
SMILES[2H]c1c([2H])c([2H])c(-c2ccc(F)c(-n3c4c([2H])c([2H])c([2H])c([2H])c4c4c([2H])c([2H])c([2H])c([2H])c43)c2)c([2H])c1[2H]
InChIInChI=1S/C24H16FN/c25-21-15-14-18(17-8-2-1-3-9-17)16-24(21)26-22-12-6-4-10-19(22)20-11-5-7-13-23(20)26/h1-16H/i1D,2D,3D,4D,5D,6D,7D,8D,9D,10D,11D,12D,13D
InChIKeyIWIVMSDWVPVEFF-WOBVQUITSA-N
MW350.48 g/mol
LogP6.59
Rot. Bonds2

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

1,2,3,4,5,6,7,8-octadeuterio-9-[2-fluoro-5-(2,3,4,5,6-pentadeuteriophenyl)phenyl]carbazole (PubChem CID 177132627) has the molecular formula C24H16FN and a molecular weight of 350.48 g/mol. Its IUPAC name is 1,2,3,4,5,6,7,8-octadeuterio-9-[2-fluoro-5-(2,3,4,5,6-pentadeuteriophenyl)phenyl]carbazole.

Molecular Properties

Compound Name1,2,3,4,5,6,7,8-octadeuterio-9-[2-fluoro-5-(2,3,4,5,6-pentadeuteriophenyl)phenyl]carbazole
PubChem CID177132627
Molecular FormulaC24H16FN
Molecular Weight350.48 g/mol
Exact Mass350.21
IUPAC Name1,2,3,4,5,6,7,8-octadeuterio-9-[2-fluoro-5-(2,3,4,5,6-pentadeuteriophenyl)phenyl]carbazole
SMILES[2H]c1c([2H])c([2H])c(-c2ccc(F)c(-n3c4c([2H])c([2H])c([2H])c([2H])c4c4c([2H])c([2H])c([2H])c([2H])c43)c2)c([2H])c1[2H]
InChIInChI=1S/C24H16FN/c25-21-15-14-18(17-8-2-1-3-9-17)16-24(21)26-22-12-6-4-10-19(22)20-11-5-7-13-23(20)26/h1-16H/i1D,2D,3D,4D,5D,6D,7D,8D,9D,10D,11D,12D,13D
InChIKeyIWIVMSDWVPVEFF-WOBVQUITSA-N
XLogP6.59
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500350.48
LogP ≤ 56.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1,2,3,4,5,6,7,8-octadeuterio-9-[2-fluoro-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]carbazole
CID 177132626
1,2,3,4-tetradeuterio-9-[2,3,4,5-tetradeuterio-6-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-6-[5,6,7,8-tetradeuterio-9-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]carbazol-3-yl]carbazole
CID 172512149
1,2,3,4,5,6,7,8-octadeuterio-9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]phenyl]carbazole
CID 176849721
1,2,3,4,5,6,7,8-octadeuterio-9-[1,3,4,5,6,7,8-heptadeuterio-9-[4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]carbazol-2-yl]carbazole
CID 170517573
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-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6-(2,3,4,5,6-pentadeuteriophenyl)carbazole
CID 177113467
1,2,3,4,5,6,7,8-octadeuterio-9-[9-[4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]carbazol-3-yl]carbazole
CID 170517489
1,2,3,4,5,6,7,8-octadeuterio-9-[1,3,4,5,6,7,8-heptadeuterio-9-[8-[2,3,4,6-tetradeuterio-5-(2,3,4,5,6-pentadeuteriophenyl)phenyl]dibenzofuran-1-yl]carbazol-2-yl]carbazole
CID 170517897
1,2,3,4,5,6,7,8-octadeuterio-9-[1,2,4,5,6,7,8-heptadeuterio-9-[2,3,4,5,6,7,8-heptadeuterio-9-[4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]carbazol-1-yl]carbazol-3-yl]carbazole
CID 170659684
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-[1,3,4,5,6,7,8-heptadeuterio-9-[1,2,3,5,6,7,8-heptadeuterio-9-[3-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]phenyl]carbazol-4-yl]carbazol-2-yl]carbazole
CID 170659968
1,2,3,4-tetradeuterio-9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-phenylphenyl]-6-(2,3,4,5,6-pentadeuteriophenyl)carbazole
CID 177113607

Frequently Asked Questions

What is the IUPAC name of 1,2,3,4,5,6,7,8-octadeuterio-9-[2-fluoro-5-(2,3,4,5,6-pentadeuteriophenyl)phenyl]carbazole?
The IUPAC name of 1,2,3,4,5,6,7,8-octadeuterio-9-[2-fluoro-5-(2,3,4,5,6-pentadeuteriophenyl)phenyl]carbazole (CID 177132627) is 1,2,3,4,5,6,7,8-octadeuterio-9-[2-fluoro-5-(2,3,4,5,6-pentadeuteriophenyl)phenyl]carbazole.
What is the SMILES notation for 1,2,3,4,5,6,7,8-octadeuterio-9-[2-fluoro-5-(2,3,4,5,6-pentadeuteriophenyl)phenyl]carbazole?
The canonical SMILES for 1,2,3,4,5,6,7,8-octadeuterio-9-[2-fluoro-5-(2,3,4,5,6-pentadeuteriophenyl)phenyl]carbazole is [2H]c1c([2H])c([2H])c(-c2ccc(F)c(-n3c4c([2H])c([2H])c([2H])c([2H])c4c4c([2H])c([2H])c([2H])c([2H])c43)c2)c([2H])c1[2H].
What is the InChIKey of 1,2,3,4,5,6,7,8-octadeuterio-9-[2-fluoro-5-(2,3,4,5,6-pentadeuteriophenyl)phenyl]carbazole?
The InChIKey is IWIVMSDWVPVEFF-WOBVQUITSA-N. The full InChI is InChI=1S/C24H16FN/c25-21-15-14-18(17-8-2-1-3-9-17)16-24(21)26-22-12-6-4-10-19(22)20-11-5-7-13-23(20)26/h1-16H/i1D,2D,3D,4D,5D,6D,7D,8D,9D,10D,11D,12D,13D.
What are the key properties of 1,2,3,4,5,6,7,8-octadeuterio-9-[2-fluoro-5-(2,3,4,5,6-pentadeuteriophenyl)phenyl]carbazole?
1,2,3,4,5,6,7,8-octadeuterio-9-[2-fluoro-5-(2,3,4,5,6-pentadeuteriophenyl)phenyl]carbazole has a molecular weight of 350.48 g/mol, XLogP of 6.59, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,4,5,6,7,8-octadeuterio-9-[2-fluoro-5-(2,3,4,5,6-pentadeuteriophenyl)phenyl]carbazole is sourced from PubChem (CID 177132627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).