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

C48H31N3 — CID 170659684

IUPAC1,2,3,4,5,6,7,8-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
SMILES[2H]c1c([2H])c([2H])c(-c2ccc(-n3c4c([2H])c([2H])c([2H])c([2H])c4c4c([2H])c([2H])c([2H])c(-n5c6c([2H])c([2H])c([2H])c([2H])c6c6c([2H])c(-n7c8c([2H])c([2H])c([2H])c([2H])c8c8c([2H])c([2H])c([2H])c([2H])c87)c([2H])c([2H])c65)c43)cc2)c([2H])c1[2H]
InChIInChI=1S/C48H31N3/c1-2-13-32(14-3-1)33-25-27-34(28-26-33)50-44-22-10-6-17-38(44)40-19-12-24-47(48(40)50)51-45-23-11-7-18-39(45)41-31-35(29-30-46(41)51)49-42-20-8-4-15-36(42)37-16-5-9-21-43(37)49/h1-31H/i1D,2D,3D,4D,5D,6D,7D,8D,9D,10D,11D,12D,13D,14D,15D,16D,17D,18D,19D,20D,21D,22D,23D,24D,29D,30D,31D
InChIKeyZOXQGARHQIDRSD-DIHQRKMCSA-N
MW676.96 g/mol
LogP12.64
Rot. Bonds4

About 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

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 (PubChem CID 170659684) has the molecular formula C48H31N3 and a molecular weight of 676.96 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name1,2,3,4,5,6,7,8-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
PubChem CID170659684
Molecular FormulaC48H31N3
Molecular Weight676.96 g/mol
Exact Mass676.42
IUPAC Name1,2,3,4,5,6,7,8-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
SMILES[2H]c1c([2H])c([2H])c(-c2ccc(-n3c4c([2H])c([2H])c([2H])c([2H])c4c4c([2H])c([2H])c([2H])c(-n5c6c([2H])c([2H])c([2H])c([2H])c6c6c([2H])c(-n7c8c([2H])c([2H])c([2H])c([2H])c8c8c([2H])c([2H])c([2H])c([2H])c87)c([2H])c([2H])c65)c43)cc2)c([2H])c1[2H]
InChIInChI=1S/C48H31N3/c1-2-13-32(14-3-1)33-25-27-34(28-26-33)50-44-22-10-6-17-38(44)40-19-12-24-47(48(40)50)51-45-23-11-7-18-39(45)41-31-35(29-30-46(41)51)49-42-20-8-4-15-36(42)37-16-5-9-21-43(37)49/h1-31H/i1D,2D,3D,4D,5D,6D,7D,8D,9D,10D,11D,12D,13D,14D,15D,16D,17D,18D,19D,20D,21D,22D,23D,24D,29D,30D,31D
InChIKeyZOXQGARHQIDRSD-DIHQRKMCSA-N
XLogP12.64
TPSA14.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500676.96
LogP ≤ 512.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 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 with MolForge

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Related Compounds

1,2,3,4,5,6,7,8-octadeuterio-9-[1,3,4,5,6,7,8-heptadeuterio-9-[2,3,4,5,6,7,8-heptadeuterio-9-[4-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]phenyl]carbazol-1-yl]carbazol-2-yl]carbazole
CID 170659981
1,2,3,4,5,6,7,8-octadeuterio-9-[2,3,4,5,6,7,8-heptadeuterio-9-[1,3,4,5,6,7,8-heptadeuterio-9-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]carbazol-2-yl]carbazol-1-yl]carbazole
CID 170660080
1,2,3,4,5,6,7,8-octadeuterio-9-[2,3,4,5,6,7,8-heptadeuterio-9-[2,3,4,6-tetradeuterio-5-(2,3,4,5,6-pentadeuteriophenyl)phenyl]carbazol-1-yl]carbazole
CID 170517547
1,2,3,4,5,6,7,8-octadeuterio-9-[2,3,4,5,6,7,8-heptadeuterio-9-[2,3,4,5,6,7,8-heptadeuterio-9-(4-phenylphenyl)carbazol-1-yl]carbazol-1-yl]carbazole
CID 170660053
1,2,3,4,5,6,7,8-octadeuterio-9-[2,3,4,5,6,7,8-heptadeuterio-9-[2,3,4,5,6,7,8-heptadeuterio-9-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]carbazol-1-yl]carbazol-1-yl]carbazole
CID 170659912
3-carbazol-9-yl-1,2,4,5,6,7,8-heptadeuterio-9-[4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]carbazole
CID 170517466
1-carbazol-9-yl-2,3,4,5,6,7,8-heptadeuterio-9-(4-phenylphenyl)carbazole
CID 170517556
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-[2,3,4,5,6,7,8-heptadeuterio-9-(2,6-diphenylphenyl)carbazol-1-yl]carbazol-3-yl]carbazole
CID 170518085
1,2,3,4,5,6,7,8-octadeuterio-9-[9-[4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]carbazol-1-yl]carbazole
CID 170517522
1,2,3,4,5,6,7,8-octadeuterio-9-[1,3,4,5,6,7,8-heptadeuterio-9-[1,2,4,5,6,7,8-heptadeuterio-9-[2,3,5,6-tetradeuterio-4-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]phenyl]carbazol-3-yl]carbazol-2-yl]carbazole
CID 170659893
1,2,3,4,5,6,7,8-octadeuterio-9-[1,2,5,6,7,8-hexadeuterio-9-[1,2,4,5,6,7,8-heptadeuterio-9-[2,3,4,6-tetradeuterio-5-(2,3,4,5,6-pentadeuteriophenyl)phenyl]carbazol-3-yl]carbazol-3-yl]carbazole
CID 170659672

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is [2H]c1c([2H])c([2H])c(-c2ccc(-n3c4c([2H])c([2H])c([2H])c([2H])c4c4c([2H])c([2H])c([2H])c(-n5c6c([2H])c([2H])c([2H])c([2H])c6c6c([2H])c(-n7c8c([2H])c([2H])c([2H])c([2H])c8c8c([2H])c([2H])c([2H])c([2H])c87)c([2H])c([2H])c65)c43)cc2)c([2H])c1[2H].
What is the InChIKey of 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?
The InChIKey is ZOXQGARHQIDRSD-DIHQRKMCSA-N. The full InChI is InChI=1S/C48H31N3/c1-2-13-32(14-3-1)33-25-27-34(28-26-33)50-44-22-10-6-17-38(44)40-19-12-24-47(48(40)50)51-45-23-11-7-18-39(45)41-31-35(29-30-46(41)51)49-42-20-8-4-15-36(42)37-16-5-9-21-43(37)49/h1-31H/i1D,2D,3D,4D,5D,6D,7D,8D,9D,10D,11D,12D,13D,14D,15D,16D,17D,18D,19D,20D,21D,22D,23D,24D,29D,30D,31D.
What are the key properties of 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?
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 has a molecular weight of 676.96 g/mol, XLogP of 12.64, 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-[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 is sourced from PubChem (CID 170659684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).