2-(3-phenylphenyl)-4-(4-phenylphenyl)-6-(4-spiro[adamantane-2,7'-benzo[g]fluorene]-8'-ylphenyl)-1,3,5-triazine

C59H45N3 — CID 167353660

IUPAC2-(3-phenylphenyl)-4-(4-phenylphenyl)-6-(4-spiro[adamantane-2,7'-benzo[g]fluorene]-8'-ylphenyl)-1,3,5-triazine
SMILESc1ccc(-c2ccc(-c3nc(-c4ccc(-c5cccc6c5C5(c7ccc8ccccc8c7-6)C6CC7CC(C6)CC5C7)cc4)nc(-c4cccc(-c5ccccc5)c4)n3)cc2)cc1
InChIInChI=1S/C59H45N3/c1-3-11-39(12-4-1)41-21-25-44(26-22-41)56-60-57(62-58(61-56)47-17-9-16-46(36-47)40-13-5-2-6-14-40)45-27-23-43(24-28-45)51-19-10-20-52-54-50-18-8-7-15-42(50)29-30-53(54)59(55(51)52)48-32-37-31-38(34-48)35-49(59)33-37/h1-30,36-38,48-49H,31-35H2
InChIKeyRNHIHUMCKHVRNU-UHFFFAOYSA-N
MW796.03 g/mol
LogP14.75
Rot. Bonds6

About 2-(3-phenylphenyl)-4-(4-phenylphenyl)-6-(4-spiro[adamantane-2,7'-benzo[g]fluorene]-8'-ylphenyl)-1,3,5-triazine

2-(3-phenylphenyl)-4-(4-phenylphenyl)-6-(4-spiro[adamantane-2,7'-benzo[g]fluorene]-8'-ylphenyl)-1,3,5-triazine (PubChem CID 167353660) has the molecular formula C59H45N3 and a molecular weight of 796.03 g/mol. Its IUPAC name is 2-(3-phenylphenyl)-4-(4-phenylphenyl)-6-(4-spiro[adamantane-2,7'-benzo[g]fluorene]-8'-ylphenyl)-1,3,5-triazine.

Molecular Properties

Compound Name2-(3-phenylphenyl)-4-(4-phenylphenyl)-6-(4-spiro[adamantane-2,7'-benzo[g]fluorene]-8'-ylphenyl)-1,3,5-triazine
PubChem CID167353660
Molecular FormulaC59H45N3
Molecular Weight796.03 g/mol
Exact Mass795.36
IUPAC Name2-(3-phenylphenyl)-4-(4-phenylphenyl)-6-(4-spiro[adamantane-2,7'-benzo[g]fluorene]-8'-ylphenyl)-1,3,5-triazine
SMILESc1ccc(-c2ccc(-c3nc(-c4ccc(-c5cccc6c5C5(c7ccc8ccccc8c7-6)C6CC7CC(C6)CC5C7)cc4)nc(-c4cccc(-c5ccccc5)c4)n3)cc2)cc1
InChIInChI=1S/C59H45N3/c1-3-11-39(12-4-1)41-21-25-44(26-22-41)56-60-57(62-58(61-56)47-17-9-16-46(36-47)40-13-5-2-6-14-40)45-27-23-43(24-28-45)51-19-10-20-52-54-50-18-8-7-15-42(50)29-30-53(54)59(55(51)52)48-32-37-31-38(34-48)35-49(59)33-37/h1-30,36-38,48-49H,31-35H2
InChIKeyRNHIHUMCKHVRNU-UHFFFAOYSA-N
XLogP14.75
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500796.03
LogP ≤ 514.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2,4-diphenyl-6-[3-(3-spiro[adamantane-2,7'-benzo[g]fluorene]-8'-ylphenyl)phenyl]-1,3,5-triazine
CID 167353965
2,4-diphenyl-6-[2-(4-spiro[adamantane-2,12'-pentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene]-17'-ylphenyl)phenyl]-1,3,5-triazine
CID 167353864
2-naphthalen-2-yl-4-phenyl-6-spiro[adamantane-2,7'-benzo[c]fluorene]-10'-yl-1,3,5-triazine
CID 167353943
2-[3-[6'-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]spiro[adamantane-2,9'-fluorene]-3'-yl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 164819047
2-dibenzofuran-1-yl-4-phenyl-6-spiro[adamantane-2,7'-benzo[g]fluorene]-9'-yl-1,3,5-triazine
CID 167353781
2-(9,9-dimethylfluoren-2-yl)-4-phenyl-6-spiro[adamantane-2,7'-benzo[c]fluorene]-10'-yl-1,3,5-triazine
CID 167353704
8'-(10-naphthalen-1-ylanthracen-9-yl)spiro[adamantane-2,7'-benzo[c]fluorene]
CID 168808880
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-[3-(9',9'-dimethylspiro[adamantane-2,10'-anthracene]-2'-yl)phenyl]-4-naphthalen-1-yl-6-phenyl-1,3,5-triazine
CID 166017797
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-[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

Frequently Asked Questions

What is the IUPAC name of 2-(3-phenylphenyl)-4-(4-phenylphenyl)-6-(4-spiro[adamantane-2,7'-benzo[g]fluorene]-8'-ylphenyl)-1,3,5-triazine?
The IUPAC name of 2-(3-phenylphenyl)-4-(4-phenylphenyl)-6-(4-spiro[adamantane-2,7'-benzo[g]fluorene]-8'-ylphenyl)-1,3,5-triazine (CID 167353660) is 2-(3-phenylphenyl)-4-(4-phenylphenyl)-6-(4-spiro[adamantane-2,7'-benzo[g]fluorene]-8'-ylphenyl)-1,3,5-triazine.
What is the SMILES notation for 2-(3-phenylphenyl)-4-(4-phenylphenyl)-6-(4-spiro[adamantane-2,7'-benzo[g]fluorene]-8'-ylphenyl)-1,3,5-triazine?
The canonical SMILES for 2-(3-phenylphenyl)-4-(4-phenylphenyl)-6-(4-spiro[adamantane-2,7'-benzo[g]fluorene]-8'-ylphenyl)-1,3,5-triazine is c1ccc(-c2ccc(-c3nc(-c4ccc(-c5cccc6c5C5(c7ccc8ccccc8c7-6)C6CC7CC(C6)CC5C7)cc4)nc(-c4cccc(-c5ccccc5)c4)n3)cc2)cc1.
What is the InChIKey of 2-(3-phenylphenyl)-4-(4-phenylphenyl)-6-(4-spiro[adamantane-2,7'-benzo[g]fluorene]-8'-ylphenyl)-1,3,5-triazine?
The InChIKey is RNHIHUMCKHVRNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C59H45N3/c1-3-11-39(12-4-1)41-21-25-44(26-22-41)56-60-57(62-58(61-56)47-17-9-16-46(36-47)40-13-5-2-6-14-40)45-27-23-43(24-28-45)51-19-10-20-52-54-50-18-8-7-15-42(50)29-30-53(54)59(55(51)52)48-32-37-31-38(34-48)35-49(59)33-37/h1-30,36-38,48-49H,31-35H2.
What are the key properties of 2-(3-phenylphenyl)-4-(4-phenylphenyl)-6-(4-spiro[adamantane-2,7'-benzo[g]fluorene]-8'-ylphenyl)-1,3,5-triazine?
2-(3-phenylphenyl)-4-(4-phenylphenyl)-6-(4-spiro[adamantane-2,7'-benzo[g]fluorene]-8'-ylphenyl)-1,3,5-triazine has a molecular weight of 796.03 g/mol, XLogP of 14.75, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-phenylphenyl)-4-(4-phenylphenyl)-6-(4-spiro[adamantane-2,7'-benzo[g]fluorene]-8'-ylphenyl)-1,3,5-triazine is sourced from PubChem (CID 167353660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).