2-[4-(3,5-diphenylphenyl)phenyl]-4-(10',10'-diphenylspiro[adamantane-2,9'-anthracene]-2'-yl)-6-phenyl-1,3,5-triazine

C68H53N3 — CID 166018192

IUPAC2-[4-(3,5-diphenylphenyl)phenyl]-4-(10',10'-diphenylspiro[adamantane-2,9'-anthracene]-2'-yl)-6-phenyl-1,3,5-triazine
SMILESc1ccc(-c2cc(-c3ccccc3)cc(-c3ccc(-c4nc(-c5ccccc5)nc(-c5ccc6c(c5)C5(c7ccccc7C6(c6ccccc6)c6ccccc6)C6CC7CC(C6)CC5C7)n4)cc3)c2)cc1
InChIInChI=1S/C68H53N3/c1-6-18-47(19-7-1)53-41-54(48-20-8-2-9-21-48)43-55(42-53)49-30-32-51(33-31-49)65-69-64(50-22-10-3-11-23-50)70-66(71-65)52-34-35-62-63(44-52)68(58-37-45-36-46(39-58)40-59(68)38-45)61-29-17-16-28-60(61)67(62,56-24-12-4-13-25-56)57-26-14-5-15-27-57/h1-35,41-46,58-59H,36-40H2
InChIKeyBLUWOYOCGNOKQO-UHFFFAOYSA-N
MW912.19 g/mol
LogP16.31
Rot. Bonds8

About 2-[4-(3,5-diphenylphenyl)phenyl]-4-(10',10'-diphenylspiro[adamantane-2,9'-anthracene]-2'-yl)-6-phenyl-1,3,5-triazine

2-[4-(3,5-diphenylphenyl)phenyl]-4-(10',10'-diphenylspiro[adamantane-2,9'-anthracene]-2'-yl)-6-phenyl-1,3,5-triazine (PubChem CID 166018192) has the molecular formula C68H53N3 and a molecular weight of 912.19 g/mol. Its IUPAC name is 2-[4-(3,5-diphenylphenyl)phenyl]-4-(10',10'-diphenylspiro[adamantane-2,9'-anthracene]-2'-yl)-6-phenyl-1,3,5-triazine.

Molecular Properties

Compound Name2-[4-(3,5-diphenylphenyl)phenyl]-4-(10',10'-diphenylspiro[adamantane-2,9'-anthracene]-2'-yl)-6-phenyl-1,3,5-triazine
PubChem CID166018192
Molecular FormulaC68H53N3
Molecular Weight912.19 g/mol
Exact Mass911.42
IUPAC Name2-[4-(3,5-diphenylphenyl)phenyl]-4-(10',10'-diphenylspiro[adamantane-2,9'-anthracene]-2'-yl)-6-phenyl-1,3,5-triazine
SMILESc1ccc(-c2cc(-c3ccccc3)cc(-c3ccc(-c4nc(-c5ccccc5)nc(-c5ccc6c(c5)C5(c7ccccc7C6(c6ccccc6)c6ccccc6)C6CC7CC(C6)CC5C7)n4)cc3)c2)cc1
InChIInChI=1S/C68H53N3/c1-6-18-47(19-7-1)53-41-54(48-20-8-2-9-21-48)43-55(42-53)49-30-32-51(33-31-49)65-69-64(50-22-10-3-11-23-50)70-66(71-65)52-34-35-62-63(44-52)68(58-37-45-36-46(39-58)40-59(68)38-45)61-29-17-16-28-60(61)67(62,56-24-12-4-13-25-56)57-26-14-5-15-27-57/h1-35,41-46,58-59H,36-40H2
InChIKeyBLUWOYOCGNOKQO-UHFFFAOYSA-N
XLogP16.31
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms71
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500912.19
LogP ≤ 516.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(10',10'-diphenylspiro[adamantane-2,9'-anthracene]-2'-yl)-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine
CID 166017953
2-[3-[3-(10',10'-diphenylspiro[adamantane-2,9'-anthracene]-2'-yl)phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 166018181
2-(10',10'-diphenylspiro[adamantane-2,9'-anthracene]-2'-yl)-4,6-bis(3-phenylphenyl)-1,3,5-triazine
CID 166017794
2-(10',10'-dimethylspiro[adamantane-2,9'-anthracene]-2'-yl)-4,6-bis(4-phenylphenyl)-1,3,5-triazine
CID 166017889
2-(9',9'-diphenylspiro[adamantane-2,10'-anthracene]-2'-yl)-4,6-dinaphthalen-1-yl-1,3,5-triazine
CID 166018058
2-(4-dibenzofuran-2-ylphenyl)-4-[4-(10',10'-diphenylspiro[adamantane-2,9'-anthracene]-2'-yl)naphthalen-1-yl]-6-phenyl-1,3,5-triazine
CID 166017816
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-phenyl-4-(4-phenylphenyl)-6-spiro[adamantane-2,9'-xanthene]-2'-yl-1,3,5-triazine
CID 166017775
2-[3-[3-(9',9'-diphenylspiro[adamantane-2,10'-anthracene]-2'-yl)phenyl]phenyl]-5-phenyl-1,3,4-oxadiazole
CID 166018200
2-[3-(4-methylphenyl)-5-spiro[adamantane-2,9'-fluorene]-2'-ylphenyl]-4,6-diphenyl-1,3,5-triazine
CID 147428060
2,4-bis(4-phenylphenyl)-6-(3-phenyl-5-spiro[adamantane-2,9'-fluorene]-4'-ylphenyl)-1,3,5-triazine
CID 156561456
2-phenyl-4-(3-phenylphenyl)-6-spiro[adamantane-2,11'-benzo[b]fluorene]-2'-yl-1,3,5-triazine
CID 167353491

Frequently Asked Questions

What is the IUPAC name of 2-[4-(3,5-diphenylphenyl)phenyl]-4-(10',10'-diphenylspiro[adamantane-2,9'-anthracene]-2'-yl)-6-phenyl-1,3,5-triazine?
The IUPAC name of 2-[4-(3,5-diphenylphenyl)phenyl]-4-(10',10'-diphenylspiro[adamantane-2,9'-anthracene]-2'-yl)-6-phenyl-1,3,5-triazine (CID 166018192) is 2-[4-(3,5-diphenylphenyl)phenyl]-4-(10',10'-diphenylspiro[adamantane-2,9'-anthracene]-2'-yl)-6-phenyl-1,3,5-triazine.
What is the SMILES notation for 2-[4-(3,5-diphenylphenyl)phenyl]-4-(10',10'-diphenylspiro[adamantane-2,9'-anthracene]-2'-yl)-6-phenyl-1,3,5-triazine?
The canonical SMILES for 2-[4-(3,5-diphenylphenyl)phenyl]-4-(10',10'-diphenylspiro[adamantane-2,9'-anthracene]-2'-yl)-6-phenyl-1,3,5-triazine is c1ccc(-c2cc(-c3ccccc3)cc(-c3ccc(-c4nc(-c5ccccc5)nc(-c5ccc6c(c5)C5(c7ccccc7C6(c6ccccc6)c6ccccc6)C6CC7CC(C6)CC5C7)n4)cc3)c2)cc1.
What is the InChIKey of 2-[4-(3,5-diphenylphenyl)phenyl]-4-(10',10'-diphenylspiro[adamantane-2,9'-anthracene]-2'-yl)-6-phenyl-1,3,5-triazine?
The InChIKey is BLUWOYOCGNOKQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C68H53N3/c1-6-18-47(19-7-1)53-41-54(48-20-8-2-9-21-48)43-55(42-53)49-30-32-51(33-31-49)65-69-64(50-22-10-3-11-23-50)70-66(71-65)52-34-35-62-63(44-52)68(58-37-45-36-46(39-58)40-59(68)38-45)61-29-17-16-28-60(61)67(62,56-24-12-4-13-25-56)57-26-14-5-15-27-57/h1-35,41-46,58-59H,36-40H2.
What are the key properties of 2-[4-(3,5-diphenylphenyl)phenyl]-4-(10',10'-diphenylspiro[adamantane-2,9'-anthracene]-2'-yl)-6-phenyl-1,3,5-triazine?
2-[4-(3,5-diphenylphenyl)phenyl]-4-(10',10'-diphenylspiro[adamantane-2,9'-anthracene]-2'-yl)-6-phenyl-1,3,5-triazine has a molecular weight of 912.19 g/mol, XLogP of 16.31, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3,5-diphenylphenyl)phenyl]-4-(10',10'-diphenylspiro[adamantane-2,9'-anthracene]-2'-yl)-6-phenyl-1,3,5-triazine is sourced from PubChem (CID 166018192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).