2-dibenzofuran-3-yl-4-[3-[7-[3-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]spiro[fluorene-9,8'-tricyclo[5.3.1.04,9]undecane]-2-yl]phenyl]-6-phenyl-1,3,5-triazine

C77H54N6O2 — CID 167162782

IUPAC2-dibenzofuran-3-yl-4-[3-[7-[3-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]spiro[fluorene-9,8'-tricyclo[5.3.1.04,9]undecane]-2-yl]phenyl]-6-phenyl-1,3,5-triazine
SMILESc1ccc(-c2nc(-c3cccc(-c4ccc5c(c4)C4(c6cc(-c7cccc(-c8nc(-c9ccccc9)nc(-c9ccc%10c(c9)oc9ccccc9%10)n8)c7)ccc6-5)C5CCC6CCC(C5)CC64)c3)nc(-c3ccc4c(c3)oc3ccccc34)n2)cc1
InChIInChI=1S/C77H54N6O2/c1-3-13-47(14-4-1)71-78-73(82-75(80-71)55-30-35-62-60-21-7-9-23-67(60)84-69(62)43-55)53-19-11-17-49(39-53)51-28-33-58-59-34-29-52(42-66(59)77(65(58)41-51)57-32-27-46-26-25-45(37-57)38-64(46)77)50-18-12-20-54(40-50)74-79-72(48-15-5-2-6-16-48)81-76(83-74)56-31-36-63-61-22-8-10-24-68(61)85-70(63)44-56/h1-24,28-31,33-36,39-46,57,64H,25-27,32,37-38H2
InChIKeyUWRSEHQJAFLPHB-UHFFFAOYSA-N
MW1095.32 g/mol
LogP19.30
Rot. Bonds8

About 2-dibenzofuran-3-yl-4-[3-[7-[3-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]spiro[fluorene-9,8'-tricyclo[5.3.1.04,9]undecane]-2-yl]phenyl]-6-phenyl-1,3,5-triazine

2-dibenzofuran-3-yl-4-[3-[7-[3-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]spiro[fluorene-9,8'-tricyclo[5.3.1.04,9]undecane]-2-yl]phenyl]-6-phenyl-1,3,5-triazine (PubChem CID 167162782) has the molecular formula C77H54N6O2 and a molecular weight of 1095.32 g/mol. Its IUPAC name is 2-dibenzofuran-3-yl-4-[3-[7-[3-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]spiro[fluorene-9,8'-tricyclo[5.3.1.04,9]undecane]-2-yl]phenyl]-6-phenyl-1,3,5-triazine.

Molecular Properties

Compound Name2-dibenzofuran-3-yl-4-[3-[7-[3-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]spiro[fluorene-9,8'-tricyclo[5.3.1.04,9]undecane]-2-yl]phenyl]-6-phenyl-1,3,5-triazine
PubChem CID167162782
Molecular FormulaC77H54N6O2
Molecular Weight1095.32 g/mol
Exact Mass1094.43
IUPAC Name2-dibenzofuran-3-yl-4-[3-[7-[3-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]spiro[fluorene-9,8'-tricyclo[5.3.1.04,9]undecane]-2-yl]phenyl]-6-phenyl-1,3,5-triazine
SMILESc1ccc(-c2nc(-c3cccc(-c4ccc5c(c4)C4(c6cc(-c7cccc(-c8nc(-c9ccccc9)nc(-c9ccc%10c(c9)oc9ccccc9%10)n8)c7)ccc6-5)C5CCC6CCC(C5)CC64)c3)nc(-c3ccc4c(c3)oc3ccccc34)n2)cc1
InChIInChI=1S/C77H54N6O2/c1-3-13-47(14-4-1)71-78-73(82-75(80-71)55-30-35-62-60-21-7-9-23-67(60)84-69(62)43-55)53-19-11-17-49(39-53)51-28-33-58-59-34-29-52(42-66(59)77(65(58)41-51)57-32-27-46-26-25-45(37-57)38-64(46)77)50-18-12-20-54(40-50)74-79-72(48-15-5-2-6-16-48)81-76(83-74)56-31-36-63-61-22-8-10-24-68(61)85-70(63)44-56/h1-24,28-31,33-36,39-46,57,64H,25-27,32,37-38H2
InChIKeyUWRSEHQJAFLPHB-UHFFFAOYSA-N
XLogP19.30
TPSA103.62 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms85
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001095.32
LogP ≤ 519.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 2-dibenzofuran-3-yl-4-[3-[7-[3-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]spiro[fluorene-9,8'-tricyclo[5.3.1.04,9]undecane]-2-yl]phenyl]-6-phenyl-1,3,5-triazine with MolForge

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Related Compounds

2-(7'-dibenzofuran-3-ylspiro[adamantane-2,9'-fluorene]-2'-yl)-4,6-diphenyl-1,3,5-triazine
CID 168803617
2-[4-(7'-dibenzofuran-2-ylspiro[adamantane-2,9'-fluorene]-2'-yl)phenyl]-4,6-diphenyl-1,3,5-triazine
CID 168803633
2-dibenzofuran-3-yl-4-[3-(3-dibenzofuran-3-ylphenyl)phenyl]-6-phenyl-1,3,5-triazine
CID 138625830
2-[3-dibenzofuran-2-yl-5-(6'-phenylspiro[adamantane-2,9'-fluorene]-2'-yl)phenyl]-4,6-diphenyl-1,3,5-triazine
CID 164811674
2-(4-dibenzofuran-2-ylphenyl)-4-phenyl-6-spiro[adamantane-2,11'-benzo[a]fluorene]-9'-yl-1,3,5-triazine
CID 167353756
2-(4-dibenzofuran-3-ylphenyl)-4-phenyl-6-[3-[3-(3-phenylphenyl)phenyl]phenyl]-1,3,5-triazine
CID 142425264
2-dibenzofuran-3-yl-4-(4-dibenzofuran-3-ylphenyl)-6-(3-phenylphenyl)-1,3,5-triazine
CID 168850143
2-dibenzofuran-3-yl-4-phenyl-6-[3-(3-phenylphenyl)phenyl]-1,3,5-triazine
CID 138625817
2-(3-dibenzofuran-1-ylphenyl)-4-phenyl-6-spiro[adamantane-2,11'-benzo[a]fluorene]-9'-yl-1,3,5-triazine
CID 167353552
N-(4-phenylphenyl)-N-(4-spiro[fluorene-9,2'-tricyclo[3.3.1.03,7]nonane]-2-ylphenyl)dibenzofuran-3-amine
CID 155402354
2-(4-dibenzofuran-3-ylphenyl)-4-[3-(3,5-diphenylphenyl)phenyl]-6-(4-phenylphenyl)-1,3,5-triazine
CID 168850214
2-dibenzofuran-1-yl-4-phenyl-6-spiro[adamantane-2,11'-benzo[a]fluorene]-9'-yl-1,3,5-triazine
CID 167353697

Frequently Asked Questions

What is the IUPAC name of 2-dibenzofuran-3-yl-4-[3-[7-[3-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]spiro[fluorene-9,8'-tricyclo[5.3.1.04,9]undecane]-2-yl]phenyl]-6-phenyl-1,3,5-triazine?
The IUPAC name of 2-dibenzofuran-3-yl-4-[3-[7-[3-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]spiro[fluorene-9,8'-tricyclo[5.3.1.04,9]undecane]-2-yl]phenyl]-6-phenyl-1,3,5-triazine (CID 167162782) is 2-dibenzofuran-3-yl-4-[3-[7-[3-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]spiro[fluorene-9,8'-tricyclo[5.3.1.04,9]undecane]-2-yl]phenyl]-6-phenyl-1,3,5-triazine.
What is the SMILES notation for 2-dibenzofuran-3-yl-4-[3-[7-[3-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]spiro[fluorene-9,8'-tricyclo[5.3.1.04,9]undecane]-2-yl]phenyl]-6-phenyl-1,3,5-triazine?
The canonical SMILES for 2-dibenzofuran-3-yl-4-[3-[7-[3-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]spiro[fluorene-9,8'-tricyclo[5.3.1.04,9]undecane]-2-yl]phenyl]-6-phenyl-1,3,5-triazine is c1ccc(-c2nc(-c3cccc(-c4ccc5c(c4)C4(c6cc(-c7cccc(-c8nc(-c9ccccc9)nc(-c9ccc%10c(c9)oc9ccccc9%10)n8)c7)ccc6-5)C5CCC6CCC(C5)CC64)c3)nc(-c3ccc4c(c3)oc3ccccc34)n2)cc1.
What is the InChIKey of 2-dibenzofuran-3-yl-4-[3-[7-[3-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]spiro[fluorene-9,8'-tricyclo[5.3.1.04,9]undecane]-2-yl]phenyl]-6-phenyl-1,3,5-triazine?
The InChIKey is UWRSEHQJAFLPHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C77H54N6O2/c1-3-13-47(14-4-1)71-78-73(82-75(80-71)55-30-35-62-60-21-7-9-23-67(60)84-69(62)43-55)53-19-11-17-49(39-53)51-28-33-58-59-34-29-52(42-66(59)77(65(58)41-51)57-32-27-46-26-25-45(37-57)38-64(46)77)50-18-12-20-54(40-50)74-79-72(48-15-5-2-6-16-48)81-76(83-74)56-31-36-63-61-22-8-10-24-68(61)85-70(63)44-56/h1-24,28-31,33-36,39-46,57,64H,25-27,32,37-38H2.
What are the key properties of 2-dibenzofuran-3-yl-4-[3-[7-[3-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]spiro[fluorene-9,8'-tricyclo[5.3.1.04,9]undecane]-2-yl]phenyl]-6-phenyl-1,3,5-triazine?
2-dibenzofuran-3-yl-4-[3-[7-[3-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]spiro[fluorene-9,8'-tricyclo[5.3.1.04,9]undecane]-2-yl]phenyl]-6-phenyl-1,3,5-triazine has a molecular weight of 1095.32 g/mol, XLogP of 19.30, 8 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-dibenzofuran-3-yl-4-[3-[7-[3-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]spiro[fluorene-9,8'-tricyclo[5.3.1.04,9]undecane]-2-yl]phenyl]-6-phenyl-1,3,5-triazine is sourced from PubChem (CID 167162782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).