2-(4-dibenzofuran-3-ylphenyl)-4-[3-(5',5'-dimethylspiro[adamantane-2,12'-fluoreno[2,1-b][1]benzosilole]-7'-yl)phenyl]-6-phenyl-1,3,5-triazine

C63H49N3OSi — CID 168834665

IUPAC2-(4-dibenzofuran-3-ylphenyl)-4-[3-(5',5'-dimethylspiro[adamantane-2,12'-fluoreno[2,1-b][1]benzosilole]-7'-yl)phenyl]-6-phenyl-1,3,5-triazine
SMILESC[Si]1(C)c2ccccc2-c2c1cc(-c1cccc(-c3nc(-c4ccccc4)nc(-c4ccc(-c5ccc6c(c5)oc5ccccc56)cc4)n3)c1)c1c2C2(c3ccccc3-1)C1CC3CC(C1)CC2C3
InChIInChI=1S/C63H49N3OSi/c1-68(2)55-22-11-8-19-50(55)58-56(68)36-51(57-49-18-6-9-20-52(49)63(59(57)58)45-30-37-29-38(32-45)33-46(63)31-37)43-15-12-16-44(34-43)62-65-60(40-13-4-3-5-14-40)64-61(66-62)41-25-23-39(24-26-41)42-27-28-48-47-17-7-10-21-53(47)67-54(48)35-42/h3-28,34-38,45-46H,29-33H2,1-2H3
InChIKeyMTVHSDYMNGQGHI-UHFFFAOYSA-N
MW892.19 g/mol
LogP14.63
Rot. Bonds5

About 2-(4-dibenzofuran-3-ylphenyl)-4-[3-(5',5'-dimethylspiro[adamantane-2,12'-fluoreno[2,1-b][1]benzosilole]-7'-yl)phenyl]-6-phenyl-1,3,5-triazine

2-(4-dibenzofuran-3-ylphenyl)-4-[3-(5',5'-dimethylspiro[adamantane-2,12'-fluoreno[2,1-b][1]benzosilole]-7'-yl)phenyl]-6-phenyl-1,3,5-triazine (PubChem CID 168834665) has the molecular formula C63H49N3OSi and a molecular weight of 892.19 g/mol. Its IUPAC name is 2-(4-dibenzofuran-3-ylphenyl)-4-[3-(5',5'-dimethylspiro[adamantane-2,12'-fluoreno[2,1-b][1]benzosilole]-7'-yl)phenyl]-6-phenyl-1,3,5-triazine.

Molecular Properties

Compound Name2-(4-dibenzofuran-3-ylphenyl)-4-[3-(5',5'-dimethylspiro[adamantane-2,12'-fluoreno[2,1-b][1]benzosilole]-7'-yl)phenyl]-6-phenyl-1,3,5-triazine
PubChem CID168834665
Molecular FormulaC63H49N3OSi
Molecular Weight892.19 g/mol
Exact Mass891.36
IUPAC Name2-(4-dibenzofuran-3-ylphenyl)-4-[3-(5',5'-dimethylspiro[adamantane-2,12'-fluoreno[2,1-b][1]benzosilole]-7'-yl)phenyl]-6-phenyl-1,3,5-triazine
SMILESC[Si]1(C)c2ccccc2-c2c1cc(-c1cccc(-c3nc(-c4ccccc4)nc(-c4ccc(-c5ccc6c(c5)oc5ccccc56)cc4)n3)c1)c1c2C2(c3ccccc3-1)C1CC3CC(C1)CC2C3
InChIInChI=1S/C63H49N3OSi/c1-68(2)55-22-11-8-19-50(55)58-56(68)36-51(57-49-18-6-9-20-52(49)63(59(57)58)45-30-37-29-38(32-45)33-46(63)31-37)43-15-12-16-44(34-43)62-65-60(40-13-4-3-5-14-40)64-61(66-62)41-25-23-39(24-26-41)42-27-28-48-47-17-7-10-21-53(47)67-54(48)35-42/h3-28,34-38,45-46H,29-33H2,1-2H3
InChIKeyMTVHSDYMNGQGHI-UHFFFAOYSA-N
XLogP14.63
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms68
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500892.19
LogP ≤ 514.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze 2-(4-dibenzofuran-3-ylphenyl)-4-[3-(5',5'-dimethylspiro[adamantane-2,12'-fluoreno[2,1-b][1]benzosilole]-7'-yl)phenyl]-6-phenyl-1,3,5-triazine 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

2-[3-(5',5'-dimethylspiro[adamantane-2,12'-fluoreno[2,1-b][1]benzosilole]-9'-yl)phenyl]-4-phenyl-6-pyren-1-yl-1,3,5-triazine
CID 168834361
2-(7'-dibenzofuran-3-ylspiro[adamantane-2,9'-fluorene]-2'-yl)-4,6-diphenyl-1,3,5-triazine
CID 168803617
2-dibenzofuran-3-yl-4-(9,9-dimethyl-20-oxa-9-silapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14,16,18-nonaen-12-yl)-6-(3-phenylphenyl)-1,3,5-triazine
CID 167410143
3-[3-(7',7'-dimethylspiro[adamantane-2,12'-indeno[2,1-g]fluorene]-9'-yl)-5-phenylphenyl]dibenzofuran
CID 168834537
2-phenyl-4-(4-phenylphenyl)-6-(7-spiro[adamantane-2,11'-benzo[a]fluorene]-6'-ylnaphthalen-2-yl)-1,3,5-triazine
CID 167353889
2-dibenzofuran-1-yl-4-(7'-dibenzofuran-3-ylspiro[adamantane-2,11'-benzo[a]fluorene]-9'-yl)-6-phenyl-1,3,5-triazine
CID 168803849
2-dibenzofuran-3-yl-4-[6-(10',10'-dimethylspiro[adamantane-2,9'-anthracene]-2'-yl)naphthalen-2-yl]-6-phenyl-1,3,5-triazine
CID 166017952
4-dibenzofuran-4-yl-6-phenyl-2-spiro[adamantane-2,7'-fluoreno[4,3-b][1]benzofuran]-2'-ylpyrimidine
CID 168834527
2-[4-(7'-dibenzofuran-2-ylspiro[adamantane-2,9'-fluorene]-2'-yl)phenyl]-4,6-diphenyl-1,3,5-triazine
CID 168803633
2-(3-phenylphenyl)-4-(4-phenylphenyl)-6-spiro[adamantane-2,11'-benzo[a]fluorene]-3'-yl-1,3,5-triazine
CID 167353607
2-(2-dibenzofuran-3-ylphenyl)-4-(3-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 168850267
2-[3-dibenzofuran-2-yl-5-(6'-phenylspiro[adamantane-2,9'-fluorene]-2'-yl)phenyl]-4,6-diphenyl-1,3,5-triazine
CID 164811674

Frequently Asked Questions

What is the IUPAC name of 2-(4-dibenzofuran-3-ylphenyl)-4-[3-(5',5'-dimethylspiro[adamantane-2,12'-fluoreno[2,1-b][1]benzosilole]-7'-yl)phenyl]-6-phenyl-1,3,5-triazine?
The IUPAC name of 2-(4-dibenzofuran-3-ylphenyl)-4-[3-(5',5'-dimethylspiro[adamantane-2,12'-fluoreno[2,1-b][1]benzosilole]-7'-yl)phenyl]-6-phenyl-1,3,5-triazine (CID 168834665) is 2-(4-dibenzofuran-3-ylphenyl)-4-[3-(5',5'-dimethylspiro[adamantane-2,12'-fluoreno[2,1-b][1]benzosilole]-7'-yl)phenyl]-6-phenyl-1,3,5-triazine.
What is the SMILES notation for 2-(4-dibenzofuran-3-ylphenyl)-4-[3-(5',5'-dimethylspiro[adamantane-2,12'-fluoreno[2,1-b][1]benzosilole]-7'-yl)phenyl]-6-phenyl-1,3,5-triazine?
The canonical SMILES for 2-(4-dibenzofuran-3-ylphenyl)-4-[3-(5',5'-dimethylspiro[adamantane-2,12'-fluoreno[2,1-b][1]benzosilole]-7'-yl)phenyl]-6-phenyl-1,3,5-triazine is C[Si]1(C)c2ccccc2-c2c1cc(-c1cccc(-c3nc(-c4ccccc4)nc(-c4ccc(-c5ccc6c(c5)oc5ccccc56)cc4)n3)c1)c1c2C2(c3ccccc3-1)C1CC3CC(C1)CC2C3.
What is the InChIKey of 2-(4-dibenzofuran-3-ylphenyl)-4-[3-(5',5'-dimethylspiro[adamantane-2,12'-fluoreno[2,1-b][1]benzosilole]-7'-yl)phenyl]-6-phenyl-1,3,5-triazine?
The InChIKey is MTVHSDYMNGQGHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C63H49N3OSi/c1-68(2)55-22-11-8-19-50(55)58-56(68)36-51(57-49-18-6-9-20-52(49)63(59(57)58)45-30-37-29-38(32-45)33-46(63)31-37)43-15-12-16-44(34-43)62-65-60(40-13-4-3-5-14-40)64-61(66-62)41-25-23-39(24-26-41)42-27-28-48-47-17-7-10-21-53(47)67-54(48)35-42/h3-28,34-38,45-46H,29-33H2,1-2H3.
What are the key properties of 2-(4-dibenzofuran-3-ylphenyl)-4-[3-(5',5'-dimethylspiro[adamantane-2,12'-fluoreno[2,1-b][1]benzosilole]-7'-yl)phenyl]-6-phenyl-1,3,5-triazine?
2-(4-dibenzofuran-3-ylphenyl)-4-[3-(5',5'-dimethylspiro[adamantane-2,12'-fluoreno[2,1-b][1]benzosilole]-7'-yl)phenyl]-6-phenyl-1,3,5-triazine has a molecular weight of 892.19 g/mol, XLogP of 14.63, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-dibenzofuran-3-ylphenyl)-4-[3-(5',5'-dimethylspiro[adamantane-2,12'-fluoreno[2,1-b][1]benzosilole]-7'-yl)phenyl]-6-phenyl-1,3,5-triazine is sourced from PubChem (CID 168834665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).