2-phenyl-4-(4-phenylphenyl)-6-(8-spiro[adamantane-2,11'-benzo[a]fluorene]-9'-ylnaphthalen-1-yl)-1,3,5-triazine

C57H43N3 — CID 167353905

IUPAC2-phenyl-4-(4-phenylphenyl)-6-(8-spiro[adamantane-2,11'-benzo[a]fluorene]-9'-ylnaphthalen-1-yl)-1,3,5-triazine
SMILESc1ccc(-c2ccc(-c3nc(-c4ccccc4)nc(-c4cccc5cccc(-c6ccc7c(c6)C6(c8c-7ccc7ccccc87)C7CC8CC(C7)CC6C8)c45)n3)cc2)cc1
InChIInChI=1S/C57H43N3/c1-3-11-37(12-4-1)38-21-23-42(24-22-38)55-58-54(41-14-5-2-6-15-41)59-56(60-55)50-20-10-17-40-16-9-19-46(52(40)50)43-26-27-48-49-28-25-39-13-7-8-18-47(39)53(49)57(51(48)34-43)44-30-35-29-36(32-44)33-45(57)31-35/h1-28,34-36,44-45H,29-33H2
InChIKeyRRMARILUUWMOFW-UHFFFAOYSA-N
MW769.99 g/mol
LogP14.24
Rot. Bonds5

About 2-phenyl-4-(4-phenylphenyl)-6-(8-spiro[adamantane-2,11'-benzo[a]fluorene]-9'-ylnaphthalen-1-yl)-1,3,5-triazine

2-phenyl-4-(4-phenylphenyl)-6-(8-spiro[adamantane-2,11'-benzo[a]fluorene]-9'-ylnaphthalen-1-yl)-1,3,5-triazine (PubChem CID 167353905) has the molecular formula C57H43N3 and a molecular weight of 769.99 g/mol. Its IUPAC name is 2-phenyl-4-(4-phenylphenyl)-6-(8-spiro[adamantane-2,11'-benzo[a]fluorene]-9'-ylnaphthalen-1-yl)-1,3,5-triazine.

Molecular Properties

Compound Name2-phenyl-4-(4-phenylphenyl)-6-(8-spiro[adamantane-2,11'-benzo[a]fluorene]-9'-ylnaphthalen-1-yl)-1,3,5-triazine
PubChem CID167353905
Molecular FormulaC57H43N3
Molecular Weight769.99 g/mol
Exact Mass769.35
IUPAC Name2-phenyl-4-(4-phenylphenyl)-6-(8-spiro[adamantane-2,11'-benzo[a]fluorene]-9'-ylnaphthalen-1-yl)-1,3,5-triazine
SMILESc1ccc(-c2ccc(-c3nc(-c4ccccc4)nc(-c4cccc5cccc(-c6ccc7c(c6)C6(c8c-7ccc7ccccc87)C7CC8CC(C7)CC6C8)c45)n3)cc2)cc1
InChIInChI=1S/C57H43N3/c1-3-11-37(12-4-1)38-21-23-42(24-22-38)55-58-54(41-14-5-2-6-15-41)59-56(60-55)50-20-10-17-40-16-9-19-46(52(40)50)43-26-27-48-49-28-25-39-13-7-8-18-47(39)53(49)57(51(48)34-43)44-30-35-29-36(32-44)33-45(57)31-35/h1-28,34-36,44-45H,29-33H2
InChIKeyRRMARILUUWMOFW-UHFFFAOYSA-N
XLogP14.24
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500769.99
LogP ≤ 514.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-dibenzofuran-1-yl-4-phenyl-6-spiro[adamantane-2,11'-benzo[a]fluorene]-9'-yl-1,3,5-triazine
CID 167353697
2-(3-dibenzofuran-1-ylphenyl)-4-phenyl-6-spiro[adamantane-2,11'-benzo[a]fluorene]-9'-yl-1,3,5-triazine
CID 167353552
2-[4-(9,9-dimethylfluoren-2-yl)phenyl]-4-phenyl-6-spiro[adamantane-2,11'-benzo[a]fluorene]-9'-yl-1,3,5-triazine
CID 167353637
2-(4-dibenzofuran-2-ylphenyl)-4-phenyl-6-spiro[adamantane-2,11'-benzo[a]fluorene]-9'-yl-1,3,5-triazine
CID 167353756
2-dibenzofuran-1-yl-4-dibenzofuran-4-yl-6-spiro[adamantane-2,11'-benzo[a]fluorene]-9'-yl-1,3,5-triazine
CID 167353713
2-phenyl-3-spiro[adamantane-2,11'-benzo[a]fluorene]-9'-ylphenanthro[9,10-b]pyrazine
CID 167353810
2-naphthalen-2-yl-4-phenyl-6-spiro[adamantane-2,11'-benzo[a]fluorene]-8'-yl-1,3,5-triazine
CID 167353705
2-(3-phenylphenyl)-4-(4-phenylphenyl)-6-spiro[adamantane-2,11'-benzo[a]fluorene]-3'-yl-1,3,5-triazine
CID 167353607
2-dibenzofuran-1-yl-4-phenyl-6-spiro[adamantane-2,7'-benzo[g]fluorene]-9'-yl-1,3,5-triazine
CID 167353781
2-(4-fluoranthen-8-ylphenyl)-4-phenyl-6-(3-spiro[adamantane-2,9'-fluorene]-2'-ylphenyl)-1,3,5-triazine
CID 166017987
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-naphthalen-2-yl-4-phenyl-6-[2-(2-spiro[adamantane-2,11'-benzo[a]fluorene]-1'-ylphenyl)phenyl]-1,3,5-triazine
CID 167353731

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-4-(4-phenylphenyl)-6-(8-spiro[adamantane-2,11'-benzo[a]fluorene]-9'-ylnaphthalen-1-yl)-1,3,5-triazine?
The IUPAC name of 2-phenyl-4-(4-phenylphenyl)-6-(8-spiro[adamantane-2,11'-benzo[a]fluorene]-9'-ylnaphthalen-1-yl)-1,3,5-triazine (CID 167353905) is 2-phenyl-4-(4-phenylphenyl)-6-(8-spiro[adamantane-2,11'-benzo[a]fluorene]-9'-ylnaphthalen-1-yl)-1,3,5-triazine.
What is the SMILES notation for 2-phenyl-4-(4-phenylphenyl)-6-(8-spiro[adamantane-2,11'-benzo[a]fluorene]-9'-ylnaphthalen-1-yl)-1,3,5-triazine?
The canonical SMILES for 2-phenyl-4-(4-phenylphenyl)-6-(8-spiro[adamantane-2,11'-benzo[a]fluorene]-9'-ylnaphthalen-1-yl)-1,3,5-triazine is c1ccc(-c2ccc(-c3nc(-c4ccccc4)nc(-c4cccc5cccc(-c6ccc7c(c6)C6(c8c-7ccc7ccccc87)C7CC8CC(C7)CC6C8)c45)n3)cc2)cc1.
What is the InChIKey of 2-phenyl-4-(4-phenylphenyl)-6-(8-spiro[adamantane-2,11'-benzo[a]fluorene]-9'-ylnaphthalen-1-yl)-1,3,5-triazine?
The InChIKey is RRMARILUUWMOFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H43N3/c1-3-11-37(12-4-1)38-21-23-42(24-22-38)55-58-54(41-14-5-2-6-15-41)59-56(60-55)50-20-10-17-40-16-9-19-46(52(40)50)43-26-27-48-49-28-25-39-13-7-8-18-47(39)53(49)57(51(48)34-43)44-30-35-29-36(32-44)33-45(57)31-35/h1-28,34-36,44-45H,29-33H2.
What are the key properties of 2-phenyl-4-(4-phenylphenyl)-6-(8-spiro[adamantane-2,11'-benzo[a]fluorene]-9'-ylnaphthalen-1-yl)-1,3,5-triazine?
2-phenyl-4-(4-phenylphenyl)-6-(8-spiro[adamantane-2,11'-benzo[a]fluorene]-9'-ylnaphthalen-1-yl)-1,3,5-triazine has a molecular weight of 769.99 g/mol, XLogP of 14.24, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-4-(4-phenylphenyl)-6-(8-spiro[adamantane-2,11'-benzo[a]fluorene]-9'-ylnaphthalen-1-yl)-1,3,5-triazine is sourced from PubChem (CID 167353905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).