4-[2-[3,4-bis(1,2,2,3,3,4,4,5,5,6-decadeuteriocyclohexyl)-2-(2,3-dimethyl-9H-fluoren-1-yl)dibenzofuran-1-yl]-3,4,5,6-tetradeuteriophenyl]-5,6-bis(1,2,2,3,3,4,4,5,5,6-decadeuteriocyclohexyl)triazine

C60H65N3O — CID 175869396

IUPAC4-[2-[3,4-bis(1,2,2,3,3,4,4,5,5,6-decadeuteriocyclohexyl)-2-(2,3-dimethyl-9H-fluoren-1-yl)dibenzofuran-1-yl]-3,4,5,6-tetradeuteriophenyl]-5,6-bis(1,2,2,3,3,4,4,5,5,6-decadeuteriocyclohexyl)triazine
SMILES[2H]c1c([2H])c([2H])c(-c2c(-c3c(C)c(C)cc4c3Cc3ccccc3-4)c(C3([2H])C([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C3([2H])[2H])c(C3([2H])C([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C3([2H])[2H])c3oc4ccccc4c23)c(-c2nnnc(C3([2H])C([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C3([2H])[2H])c2C2([2H])C([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C2([2H])[2H])c1[2H]
InChIInChI=1S/C60H65N3O/c1-37-35-48-44-30-16-15-29-43(44)36-49(48)51(38(37)2)57-52(39-21-7-3-8-22-39)53(40-23-9-4-10-24-40)60-56(47-33-19-20-34-50(47)64-60)55(57)45-31-17-18-32-46(45)59-54(41-25-11-5-12-26-41)58(61-63-62-59)42-27-13-6-14-28-42/h15-20,29-35,39-42H,3-14,21-28,36H2,1-2H3/i3D2,4D2,5D2,6D2,7D2,8D2,9D2,10D2,11D2,12D2,13D2,14D2,17D,18D,21D,22D2,23D,24D2,25D,26D2,27D,28D2,31D,32D,39D,40D,41D,42D
InChIKeyXDRAYQWOFQEYPB-ILZUNZBLSA-N
MW888.47 g/mol
LogP17.15
Rot. Bonds7

About 4-[2-[3,4-bis(1,2,2,3,3,4,4,5,5,6-decadeuteriocyclohexyl)-2-(2,3-dimethyl-9H-fluoren-1-yl)dibenzofuran-1-yl]-3,4,5,6-tetradeuteriophenyl]-5,6-bis(1,2,2,3,3,4,4,5,5,6-decadeuteriocyclohexyl)triazine

4-[2-[3,4-bis(1,2,2,3,3,4,4,5,5,6-decadeuteriocyclohexyl)-2-(2,3-dimethyl-9H-fluoren-1-yl)dibenzofuran-1-yl]-3,4,5,6-tetradeuteriophenyl]-5,6-bis(1,2,2,3,3,4,4,5,5,6-decadeuteriocyclohexyl)triazine (PubChem CID 175869396) has the molecular formula C60H65N3O and a molecular weight of 888.47 g/mol. Its IUPAC name is 4-[2-[3,4-bis(1,2,2,3,3,4,4,5,5,6-decadeuteriocyclohexyl)-2-(2,3-dimethyl-9H-fluoren-1-yl)dibenzofuran-1-yl]-3,4,5,6-tetradeuteriophenyl]-5,6-bis(1,2,2,3,3,4,4,5,5,6-decadeuteriocyclohexyl)triazine.

Molecular Properties

Compound Name4-[2-[3,4-bis(1,2,2,3,3,4,4,5,5,6-decadeuteriocyclohexyl)-2-(2,3-dimethyl-9H-fluoren-1-yl)dibenzofuran-1-yl]-3,4,5,6-tetradeuteriophenyl]-5,6-bis(1,2,2,3,3,4,4,5,5,6-decadeuteriocyclohexyl)triazine
PubChem CID175869396
Molecular FormulaC60H65N3O
Molecular Weight888.47 g/mol
Exact Mass887.79
IUPAC Name4-[2-[3,4-bis(1,2,2,3,3,4,4,5,5,6-decadeuteriocyclohexyl)-2-(2,3-dimethyl-9H-fluoren-1-yl)dibenzofuran-1-yl]-3,4,5,6-tetradeuteriophenyl]-5,6-bis(1,2,2,3,3,4,4,5,5,6-decadeuteriocyclohexyl)triazine
SMILES[2H]c1c([2H])c([2H])c(-c2c(-c3c(C)c(C)cc4c3Cc3ccccc3-4)c(C3([2H])C([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C3([2H])[2H])c(C3([2H])C([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C3([2H])[2H])c3oc4ccccc4c23)c(-c2nnnc(C3([2H])C([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C3([2H])[2H])c2C2([2H])C([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C2([2H])[2H])c1[2H]
InChIInChI=1S/C60H65N3O/c1-37-35-48-44-30-16-15-29-43(44)36-49(48)51(38(37)2)57-52(39-21-7-3-8-22-39)53(40-23-9-4-10-24-40)60-56(47-33-19-20-34-50(47)64-60)55(57)45-31-17-18-32-46(45)59-54(41-25-11-5-12-26-41)58(61-63-62-59)42-27-13-6-14-28-42/h15-20,29-35,39-42H,3-14,21-28,36H2,1-2H3/i3D2,4D2,5D2,6D2,7D2,8D2,9D2,10D2,11D2,12D2,13D2,14D2,17D,18D,21D,22D2,23D,24D2,25D,26D2,27D,28D2,31D,32D,39D,40D,41D,42D
InChIKeyXDRAYQWOFQEYPB-ILZUNZBLSA-N
XLogP17.15
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500888.47
LogP ≤ 517.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 4-[2-[3,4-bis(1,2,2,3,3,4,4,5,5,6-decadeuteriocyclohexyl)-2-(2,3-dimethyl-9H-fluoren-1-yl)dibenzofuran-1-yl]-3,4,5,6-tetradeuteriophenyl]-5,6-bis(1,2,2,3,3,4,4,5,5,6-decadeuteriocyclohexyl)triazine with MolForge

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Related Compounds

4,5-bis(1,2,2,3,3,4,4,5,5,6-decadeuteriocyclohexyl)-6-[2,3,4,5-tetradeuterio-6-[2-(2,3-dimethyl-9H-fluoren-1-yl)dibenzofuran-1-yl]phenyl]triazine
CID 172770527
5-(2,3-dimethyl-9H-fluoren-1-yl)-4-phenyl-6-[2-phenyl-6-(2-phenyldibenzofuran-1-yl)phenyl]triazine
CID 166134822
4-[3-(2,3-dimethyl-9H-fluoren-1-yl)-1-phenyl-4-(2-phenylphenyl)dibenzofuran-2-yl]triazine
CID 175828120
5-(2,3-dimethyl-9H-fluoren-1-yl)-4-[2-(2-phenyldibenzofuran-1-yl)phenyl]triazine
CID 175536310
4-[5,6-bis(1,2,2,3,3,4,4,5,5,6-decadeuteriocyclohexyl)-2,3,4,5-tetradeuterio-6-[2-(2,3-dimethyl-9H-fluoren-1-yl)dibenzofuran-1-yl]cyclohexa-1,3-dien-1-yl]triazine
CID 166134384
4-[6-[2,3-bis(2,3-dimethyl-9H-fluoren-1-yl)dibenzofuran-1-yl]-2,3-diphenylphenyl]triazine
CID 166134357
4-[6-[2-(2,3-dimethyl-9H-fluoren-1-yl)dibenzofuran-1-yl]-3-phenyl-2-(2-phenylphenyl)phenyl]triazine
CID 166134319
5-(2,3-dimethyl-9H-fluoren-1-yl)-4-(3-phenyl-1-benzoselenophen-2-yl)-6-(2-phenylphenyl)triazine
CID 166134239
7-[5,6-bis(2,3-dimethyl-9H-fluoren-1-yl)triazin-4-yl]-5-thia-6-azapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),3,6,8,11,14,16,18-nonaene
CID 166133939
4-[2-[2-(2,3-dimethyl-9H-fluoren-1-yl)dibenzofuran-1-yl]-3,5,6-triphenylphenyl]triazine
CID 166133716
5-(2,3-dimethyl-9H-fluoren-1-yl)-4-phenyl-6-[2-[2-(2-phenylphenyl)phenyl]dibenzoselenophen-1-yl]triazine
CID 166134544
4-[6-[2-(2,3-dimethyl-9H-fluoren-1-yl)-3,4,6-triphenyldibenzofuran-1-yl]-2,3-diphenylphenyl]triazine
CID 175810726

Frequently Asked Questions

What is the IUPAC name of 4-[2-[3,4-bis(1,2,2,3,3,4,4,5,5,6-decadeuteriocyclohexyl)-2-(2,3-dimethyl-9H-fluoren-1-yl)dibenzofuran-1-yl]-3,4,5,6-tetradeuteriophenyl]-5,6-bis(1,2,2,3,3,4,4,5,5,6-decadeuteriocyclohexyl)triazine?
The IUPAC name of 4-[2-[3,4-bis(1,2,2,3,3,4,4,5,5,6-decadeuteriocyclohexyl)-2-(2,3-dimethyl-9H-fluoren-1-yl)dibenzofuran-1-yl]-3,4,5,6-tetradeuteriophenyl]-5,6-bis(1,2,2,3,3,4,4,5,5,6-decadeuteriocyclohexyl)triazine (CID 175869396) is 4-[2-[3,4-bis(1,2,2,3,3,4,4,5,5,6-decadeuteriocyclohexyl)-2-(2,3-dimethyl-9H-fluoren-1-yl)dibenzofuran-1-yl]-3,4,5,6-tetradeuteriophenyl]-5,6-bis(1,2,2,3,3,4,4,5,5,6-decadeuteriocyclohexyl)triazine.
What is the SMILES notation for 4-[2-[3,4-bis(1,2,2,3,3,4,4,5,5,6-decadeuteriocyclohexyl)-2-(2,3-dimethyl-9H-fluoren-1-yl)dibenzofuran-1-yl]-3,4,5,6-tetradeuteriophenyl]-5,6-bis(1,2,2,3,3,4,4,5,5,6-decadeuteriocyclohexyl)triazine?
The canonical SMILES for 4-[2-[3,4-bis(1,2,2,3,3,4,4,5,5,6-decadeuteriocyclohexyl)-2-(2,3-dimethyl-9H-fluoren-1-yl)dibenzofuran-1-yl]-3,4,5,6-tetradeuteriophenyl]-5,6-bis(1,2,2,3,3,4,4,5,5,6-decadeuteriocyclohexyl)triazine is [2H]c1c([2H])c([2H])c(-c2c(-c3c(C)c(C)cc4c3Cc3ccccc3-4)c(C3([2H])C([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C3([2H])[2H])c(C3([2H])C([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C3([2H])[2H])c3oc4ccccc4c23)c(-c2nnnc(C3([2H])C([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C3([2H])[2H])c2C2([2H])C([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C2([2H])[2H])c1[2H].
What is the InChIKey of 4-[2-[3,4-bis(1,2,2,3,3,4,4,5,5,6-decadeuteriocyclohexyl)-2-(2,3-dimethyl-9H-fluoren-1-yl)dibenzofuran-1-yl]-3,4,5,6-tetradeuteriophenyl]-5,6-bis(1,2,2,3,3,4,4,5,5,6-decadeuteriocyclohexyl)triazine?
The InChIKey is XDRAYQWOFQEYPB-ILZUNZBLSA-N. The full InChI is InChI=1S/C60H65N3O/c1-37-35-48-44-30-16-15-29-43(44)36-49(48)51(38(37)2)57-52(39-21-7-3-8-22-39)53(40-23-9-4-10-24-40)60-56(47-33-19-20-34-50(47)64-60)55(57)45-31-17-18-32-46(45)59-54(41-25-11-5-12-26-41)58(61-63-62-59)42-27-13-6-14-28-42/h15-20,29-35,39-42H,3-14,21-28,36H2,1-2H3/i3D2,4D2,5D2,6D2,7D2,8D2,9D2,10D2,11D2,12D2,13D2,14D2,17D,18D,21D,22D2,23D,24D2,25D,26D2,27D,28D2,31D,32D,39D,40D,41D,42D.
What are the key properties of 4-[2-[3,4-bis(1,2,2,3,3,4,4,5,5,6-decadeuteriocyclohexyl)-2-(2,3-dimethyl-9H-fluoren-1-yl)dibenzofuran-1-yl]-3,4,5,6-tetradeuteriophenyl]-5,6-bis(1,2,2,3,3,4,4,5,5,6-decadeuteriocyclohexyl)triazine?
4-[2-[3,4-bis(1,2,2,3,3,4,4,5,5,6-decadeuteriocyclohexyl)-2-(2,3-dimethyl-9H-fluoren-1-yl)dibenzofuran-1-yl]-3,4,5,6-tetradeuteriophenyl]-5,6-bis(1,2,2,3,3,4,4,5,5,6-decadeuteriocyclohexyl)triazine has a molecular weight of 888.47 g/mol, XLogP of 17.15, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[3,4-bis(1,2,2,3,3,4,4,5,5,6-decadeuteriocyclohexyl)-2-(2,3-dimethyl-9H-fluoren-1-yl)dibenzofuran-1-yl]-3,4,5,6-tetradeuteriophenyl]-5,6-bis(1,2,2,3,3,4,4,5,5,6-decadeuteriocyclohexyl)triazine is sourced from PubChem (CID 175869396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).