1,2,3,4,5,6,8-heptadeuterio-7-[1,2,4,5,6,7-hexadeuterio-9-[4,6,7,8-tetradeuterio-9-[2,4,6-trideuterio-3-(2,3,5-trideuteriophenyl)phenyl]dibenzofuran-2-yl]carbazol-3-yl]-9-phenylcarbazole

C54H34N2O — CID 176854276

IUPAC1,2,3,4,5,6,8-heptadeuterio-7-[1,2,4,5,6,7-hexadeuterio-9-[4,6,7,8-tetradeuterio-9-[2,4,6-trideuterio-3-(2,3,5-trideuteriophenyl)phenyl]dibenzofuran-2-yl]carbazol-3-yl]-9-phenylcarbazole
SMILES[2H]c1cc([2H])c([2H])c(-c2c([2H])cc([2H])c(-c3c([2H])c([2H])c([2H])c4oc5c([2H])cc(-n6c7cc([2H])c([2H])c([2H])c7c7c([2H])c(-c8c([2H])c([2H])c9c%10c([2H])c([2H])c([2H])c([2H])c%10n(-c%10ccccc%10)c9c8[2H])c([2H])c([2H])c76)cc5c34)c2[2H])c1
InChIInChI=1S/C54H34N2O/c1-3-13-35(14-4-1)36-15-11-16-39(31-36)42-21-12-24-53-54(42)47-34-41(27-30-52(47)57-53)56-49-23-10-8-20-44(49)46-32-37(26-29-50(46)56)38-25-28-45-43-19-7-9-22-48(43)55(51(45)33-38)40-17-5-2-6-18-40/h1-34H/i3D,4D,7D,8D,9D,10D,12D,13D,15D,16D,19D,20D,21D,22D,24D,25D,26D,28D,29D,30D,31D,32D,33D
InChIKeyAIIWMFVTRLNTBF-LBVHUMTPSA-N
MW750.02 g/mol
LogP14.78
Rot. Bonds5

About 1,2,3,4,5,6,8-heptadeuterio-7-[1,2,4,5,6,7-hexadeuterio-9-[4,6,7,8-tetradeuterio-9-[2,4,6-trideuterio-3-(2,3,5-trideuteriophenyl)phenyl]dibenzofuran-2-yl]carbazol-3-yl]-9-phenylcarbazole

1,2,3,4,5,6,8-heptadeuterio-7-[1,2,4,5,6,7-hexadeuterio-9-[4,6,7,8-tetradeuterio-9-[2,4,6-trideuterio-3-(2,3,5-trideuteriophenyl)phenyl]dibenzofuran-2-yl]carbazol-3-yl]-9-phenylcarbazole (PubChem CID 176854276) has the molecular formula C54H34N2O and a molecular weight of 750.02 g/mol. Its IUPAC name is 1,2,3,4,5,6,8-heptadeuterio-7-[1,2,4,5,6,7-hexadeuterio-9-[4,6,7,8-tetradeuterio-9-[2,4,6-trideuterio-3-(2,3,5-trideuteriophenyl)phenyl]dibenzofuran-2-yl]carbazol-3-yl]-9-phenylcarbazole.

Molecular Properties

Compound Name1,2,3,4,5,6,8-heptadeuterio-7-[1,2,4,5,6,7-hexadeuterio-9-[4,6,7,8-tetradeuterio-9-[2,4,6-trideuterio-3-(2,3,5-trideuteriophenyl)phenyl]dibenzofuran-2-yl]carbazol-3-yl]-9-phenylcarbazole
PubChem CID176854276
Molecular FormulaC54H34N2O
Molecular Weight750.02 g/mol
Exact Mass749.41
IUPAC Name1,2,3,4,5,6,8-heptadeuterio-7-[1,2,4,5,6,7-hexadeuterio-9-[4,6,7,8-tetradeuterio-9-[2,4,6-trideuterio-3-(2,3,5-trideuteriophenyl)phenyl]dibenzofuran-2-yl]carbazol-3-yl]-9-phenylcarbazole
SMILES[2H]c1cc([2H])c([2H])c(-c2c([2H])cc([2H])c(-c3c([2H])c([2H])c([2H])c4oc5c([2H])cc(-n6c7cc([2H])c([2H])c([2H])c7c7c([2H])c(-c8c([2H])c([2H])c9c%10c([2H])c([2H])c([2H])c([2H])c%10n(-c%10ccccc%10)c9c8[2H])c([2H])c([2H])c76)cc5c34)c2[2H])c1
InChIInChI=1S/C54H34N2O/c1-3-13-35(14-4-1)36-15-11-16-39(31-36)42-21-12-24-53-54(42)47-34-41(27-30-52(47)57-53)56-49-23-10-8-20-44(49)46-32-37(26-29-50(46)56)38-25-28-45-43-19-7-9-22-48(43)55(51(45)33-38)40-17-5-2-6-18-40/h1-34H/i3D,4D,7D,8D,9D,10D,12D,13D,15D,16D,19D,20D,21D,22D,24D,25D,26D,28D,29D,30D,31D,32D,33D
InChIKeyAIIWMFVTRLNTBF-LBVHUMTPSA-N
XLogP14.78
TPSA23.00 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500750.02
LogP ≤ 514.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1,2,3,4,5,6,8-heptadeuterio-7-[1,2,4,5,6,7-hexadeuterio-9-[4,6,7,8-tetradeuterio-9-[2,4,6-trideuterio-3-(2,3,5-trideuteriophenyl)phenyl]dibenzofuran-2-yl]carbazol-3-yl]-9-phenylcarbazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1,2,3,4,5,6,8-heptadeuterio-7-[1,2,4,5,6,7-hexadeuterio-9-[4,6,7,8-tetradeuterio-9-[2,4,6-trideuterio-3-(2,3,5-trideuteriophenyl)phenyl]dibenzothiophen-2-yl]carbazol-3-yl]-9-phenylcarbazole
CID 176854300
1,2,3,4,5,7,8-heptadeuterio-6-[1,4,5,6,7-pentadeuterio-9-[2,3,4,6,7,8-hexadeuterio-9-(2,3-dideuteriophenyl)dibenzofuran-1-yl]carbazol-3-yl]-9-phenylcarbazole
CID 176854196
1,2,3,4,5,6,8-heptadeuterio-7-[3-(2,3,4,6,7,8,9-heptadeuteriodibenzofuran-1-yl)-5-[3-(3-phenylphenyl)phenyl]phenyl]-9-phenylcarbazole
CID 169279952
1,2,3,4,5,7-hexadeuterio-6-(1,2,3,6,7,8-hexadeuterio-9-phenylcarbazol-4-yl)-9-[1,2,4,6,7,8-hexadeuterio-9-(2,3,4,5-tetradeuteriophenyl)dibenzofuran-3-yl]carbazole
CID 176854251
1,2,3,4,5,6,8-heptadeuterio-7-[1,2,4,5,6,7-hexadeuterio-9-(1,2,4,5,6,7,8-heptadeuterio-9-phenylcarbazol-3-yl)carbazol-3-yl]-9-phenylcarbazole
CID 177280510
1,2,3,4,5,6-hexadeuterio-7-[1,2,4,5,6,7-hexadeuterio-9-[2,3,6,7,8-pentadeuterio-9-(2,3,4,5,6-pentadeuteriophenyl)dibenzofuran-4-yl]carbazol-3-yl]-9-(3-phenylphenyl)carbazole
CID 176854242
1,2,3,4,5,7,8-heptadeuterio-6-[1,2,4,5,6,7,8-heptadeuterio-9-[2,3,4,6,7,8-hexadeuterio-9-(2,3,4,5,6-pentadeuteriophenyl)dibenzofuran-1-yl]carbazol-3-yl]-9-(4-phenylphenyl)carbazole
CID 172512104
1,2,3,4,5,7,8-heptadeuterio-6-(1,2,4,5,6,7,8-heptadeuterio-9-phenylcarbazol-3-yl)-9-[2,4,6-trideuterio-3,5-bis(2,3,4,5-tetradeuteriophenyl)phenyl]carbazole
CID 172513733
1,2,3,4,5,7,8-heptadeuterio-6-[1,2,4,5,6,7,8-heptadeuterio-9-[1,3,4,6,7,8-hexadeuterio-9-(2,3,4,5,6-pentadeuteriophenyl)dibenzofuran-2-yl]carbazol-3-yl]-9-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]carbazole
CID 172511975
1,2,3,4,5,6,8-heptadeuterio-7-[1,2,3,4,5,7,8-heptadeuterio-6-(1,2,4,6,7,8-hexadeuterio-5,9-diphenylcarbazol-3-yl)carbazol-9-yl]-9-phenylcarbazole
CID 167377834
1,2,3,4,5,6,8-heptadeuterio-7-[1,2,3,4,5,7,8-heptadeuterio-6-[1,2,3,5,6,7,8-heptadeuterio-9-(3-phenylphenyl)carbazol-4-yl]carbazol-9-yl]-9-phenylcarbazole
CID 177280490
1,2,3,4,5,7,8-heptadeuterio-6-(1,4,5,6,7,8-hexadeuterio-9-phenylcarbazol-3-yl)-9-[1,2,6,7,9-pentadeuterio-8-[2,3,6-trideuterio-4-[2,3,4,6-tetradeuterio-5-(2,4,5-trideuteriophenyl)phenyl]phenyl]dibenzofuran-4-yl]carbazole
CID 176854209

Frequently Asked Questions

What is the IUPAC name of 1,2,3,4,5,6,8-heptadeuterio-7-[1,2,4,5,6,7-hexadeuterio-9-[4,6,7,8-tetradeuterio-9-[2,4,6-trideuterio-3-(2,3,5-trideuteriophenyl)phenyl]dibenzofuran-2-yl]carbazol-3-yl]-9-phenylcarbazole?
The IUPAC name of 1,2,3,4,5,6,8-heptadeuterio-7-[1,2,4,5,6,7-hexadeuterio-9-[4,6,7,8-tetradeuterio-9-[2,4,6-trideuterio-3-(2,3,5-trideuteriophenyl)phenyl]dibenzofuran-2-yl]carbazol-3-yl]-9-phenylcarbazole (CID 176854276) is 1,2,3,4,5,6,8-heptadeuterio-7-[1,2,4,5,6,7-hexadeuterio-9-[4,6,7,8-tetradeuterio-9-[2,4,6-trideuterio-3-(2,3,5-trideuteriophenyl)phenyl]dibenzofuran-2-yl]carbazol-3-yl]-9-phenylcarbazole.
What is the SMILES notation for 1,2,3,4,5,6,8-heptadeuterio-7-[1,2,4,5,6,7-hexadeuterio-9-[4,6,7,8-tetradeuterio-9-[2,4,6-trideuterio-3-(2,3,5-trideuteriophenyl)phenyl]dibenzofuran-2-yl]carbazol-3-yl]-9-phenylcarbazole?
The canonical SMILES for 1,2,3,4,5,6,8-heptadeuterio-7-[1,2,4,5,6,7-hexadeuterio-9-[4,6,7,8-tetradeuterio-9-[2,4,6-trideuterio-3-(2,3,5-trideuteriophenyl)phenyl]dibenzofuran-2-yl]carbazol-3-yl]-9-phenylcarbazole is [2H]c1cc([2H])c([2H])c(-c2c([2H])cc([2H])c(-c3c([2H])c([2H])c([2H])c4oc5c([2H])cc(-n6c7cc([2H])c([2H])c([2H])c7c7c([2H])c(-c8c([2H])c([2H])c9c%10c([2H])c([2H])c([2H])c([2H])c%10n(-c%10ccccc%10)c9c8[2H])c([2H])c([2H])c76)cc5c34)c2[2H])c1.
What is the InChIKey of 1,2,3,4,5,6,8-heptadeuterio-7-[1,2,4,5,6,7-hexadeuterio-9-[4,6,7,8-tetradeuterio-9-[2,4,6-trideuterio-3-(2,3,5-trideuteriophenyl)phenyl]dibenzofuran-2-yl]carbazol-3-yl]-9-phenylcarbazole?
The InChIKey is AIIWMFVTRLNTBF-LBVHUMTPSA-N. The full InChI is InChI=1S/C54H34N2O/c1-3-13-35(14-4-1)36-15-11-16-39(31-36)42-21-12-24-53-54(42)47-34-41(27-30-52(47)57-53)56-49-23-10-8-20-44(49)46-32-37(26-29-50(46)56)38-25-28-45-43-19-7-9-22-48(43)55(51(45)33-38)40-17-5-2-6-18-40/h1-34H/i3D,4D,7D,8D,9D,10D,12D,13D,15D,16D,19D,20D,21D,22D,24D,25D,26D,28D,29D,30D,31D,32D,33D.
What are the key properties of 1,2,3,4,5,6,8-heptadeuterio-7-[1,2,4,5,6,7-hexadeuterio-9-[4,6,7,8-tetradeuterio-9-[2,4,6-trideuterio-3-(2,3,5-trideuteriophenyl)phenyl]dibenzofuran-2-yl]carbazol-3-yl]-9-phenylcarbazole?
1,2,3,4,5,6,8-heptadeuterio-7-[1,2,4,5,6,7-hexadeuterio-9-[4,6,7,8-tetradeuterio-9-[2,4,6-trideuterio-3-(2,3,5-trideuteriophenyl)phenyl]dibenzofuran-2-yl]carbazol-3-yl]-9-phenylcarbazole has a molecular weight of 750.02 g/mol, XLogP of 14.78, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,4,5,6,8-heptadeuterio-7-[1,2,4,5,6,7-hexadeuterio-9-[4,6,7,8-tetradeuterio-9-[2,4,6-trideuterio-3-(2,3,5-trideuteriophenyl)phenyl]dibenzofuran-2-yl]carbazol-3-yl]-9-phenylcarbazole is sourced from PubChem (CID 176854276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).