10-phenyl-3-[4-phenyl-6-(4-phenylnaphthalen-1-yl)-1,3,5-triazin-2-yl]spiro[acridine-9,2'-adamantane]

C53H42N4 — CID 166017943

IUPAC10-phenyl-3-[4-phenyl-6-(4-phenylnaphthalen-1-yl)-1,3,5-triazin-2-yl]spiro[acridine-9,2'-adamantane]
SMILESc1ccc(-c2nc(-c3ccc4c(c3)N(c3ccccc3)c3ccccc3C43C4CC5CC(C4)CC3C5)nc(-c3ccc(-c4ccccc4)c4ccccc34)n2)cc1
InChIInChI=1S/C53H42N4/c1-4-14-36(15-5-1)42-25-26-45(44-21-11-10-20-43(42)44)52-55-50(37-16-6-2-7-17-37)54-51(56-52)38-24-27-47-49(33-38)57(41-18-8-3-9-19-41)48-23-13-12-22-46(48)53(47)39-29-34-28-35(31-39)32-40(53)30-34/h1-27,33-35,39-40H,28-32H2
InChIKeyQVVSRIWJMOXFFG-UHFFFAOYSA-N
MW734.95 g/mol
LogP13.22
Rot. Bonds5

About 10-phenyl-3-[4-phenyl-6-(4-phenylnaphthalen-1-yl)-1,3,5-triazin-2-yl]spiro[acridine-9,2'-adamantane]

10-phenyl-3-[4-phenyl-6-(4-phenylnaphthalen-1-yl)-1,3,5-triazin-2-yl]spiro[acridine-9,2'-adamantane] (PubChem CID 166017943) has the molecular formula C53H42N4 and a molecular weight of 734.95 g/mol. Its IUPAC name is 10-phenyl-3-[4-phenyl-6-(4-phenylnaphthalen-1-yl)-1,3,5-triazin-2-yl]spiro[acridine-9,2'-adamantane].

Molecular Properties

Compound Name10-phenyl-3-[4-phenyl-6-(4-phenylnaphthalen-1-yl)-1,3,5-triazin-2-yl]spiro[acridine-9,2'-adamantane]
PubChem CID166017943
Molecular FormulaC53H42N4
Molecular Weight734.95 g/mol
Exact Mass734.34
IUPAC Name10-phenyl-3-[4-phenyl-6-(4-phenylnaphthalen-1-yl)-1,3,5-triazin-2-yl]spiro[acridine-9,2'-adamantane]
SMILESc1ccc(-c2nc(-c3ccc4c(c3)N(c3ccccc3)c3ccccc3C43C4CC5CC(C4)CC3C5)nc(-c3ccc(-c4ccccc4)c4ccccc34)n2)cc1
InChIInChI=1S/C53H42N4/c1-4-14-36(15-5-1)42-25-26-45(44-21-11-10-20-43(42)44)52-55-50(37-16-6-2-7-17-37)54-51(56-52)38-24-27-47-49(33-38)57(41-18-8-3-9-19-41)48-23-13-12-22-46(48)53(47)39-29-34-28-35(31-39)32-40(53)30-34/h1-27,33-35,39-40H,28-32H2
InChIKeyQVVSRIWJMOXFFG-UHFFFAOYSA-N
XLogP13.22
TPSA41.91 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500734.95
LogP ≤ 513.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

10-phenyl-2-[4-[3-[4-phenyl-6-(4-phenylnaphthalen-1-yl)-1,3,5-triazin-2-yl]phenyl]phenyl]spiro[acridine-9,2'-adamantane]
CID 166018119
10-phenyl-3-(4-phenylquinazolin-2-yl)spiro[acridine-9,2'-adamantane]
CID 166017823
2-[3-[4-(4-fluoranthen-8-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-10-phenylspiro[acridine-9,2'-adamantane]
CID 166017922
2-phenyl-4-(4-phenylphenyl)-6-(4-spiro[adamantane-2,9'-xanthene]-3'-ylnaphthalen-1-yl)-1,3,5-triazine
CID 166017792
2-[4-[3-(4-benzo[c]carbazol-7-ylphenyl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]-10-phenylspiro[acridine-9,2'-adamantane]
CID 166017926
2-phenyl-5-[3-[3-(10-phenylspiro[acridine-9,2'-adamantane]-3-yl)phenyl]phenyl]-1,3,4-oxadiazole
CID 166018027
10-phenyl-3-[4-phenyl-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]spiro[acridine-9,9'-fluorene]
CID 139521203
2,4-diphenyl-6-[2-(2-phenylphenyl)-5-spiro[adamantane-2,9'-fluorene]-2'-ylphenyl]-1,3,5-triazine
CID 164811663
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-naphthalen-1-yl-4-(4-phenylphenyl)-6-spiro[adamantane-2,11'-benzo[b]fluorene]-3'-yl-1,3,5-triazine
CID 167353503
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
9-phenyl-3-(4-phenyl-6-spiro[adamantane-2,11'-benzo[a]fluorene]-7'-yl-1,3,5-triazin-2-yl)carbazole
CID 167353778

Frequently Asked Questions

What is the IUPAC name of 10-phenyl-3-[4-phenyl-6-(4-phenylnaphthalen-1-yl)-1,3,5-triazin-2-yl]spiro[acridine-9,2'-adamantane]?
The IUPAC name of 10-phenyl-3-[4-phenyl-6-(4-phenylnaphthalen-1-yl)-1,3,5-triazin-2-yl]spiro[acridine-9,2'-adamantane] (CID 166017943) is 10-phenyl-3-[4-phenyl-6-(4-phenylnaphthalen-1-yl)-1,3,5-triazin-2-yl]spiro[acridine-9,2'-adamantane].
What is the SMILES notation for 10-phenyl-3-[4-phenyl-6-(4-phenylnaphthalen-1-yl)-1,3,5-triazin-2-yl]spiro[acridine-9,2'-adamantane]?
The canonical SMILES for 10-phenyl-3-[4-phenyl-6-(4-phenylnaphthalen-1-yl)-1,3,5-triazin-2-yl]spiro[acridine-9,2'-adamantane] is c1ccc(-c2nc(-c3ccc4c(c3)N(c3ccccc3)c3ccccc3C43C4CC5CC(C4)CC3C5)nc(-c3ccc(-c4ccccc4)c4ccccc34)n2)cc1.
What is the InChIKey of 10-phenyl-3-[4-phenyl-6-(4-phenylnaphthalen-1-yl)-1,3,5-triazin-2-yl]spiro[acridine-9,2'-adamantane]?
The InChIKey is QVVSRIWJMOXFFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H42N4/c1-4-14-36(15-5-1)42-25-26-45(44-21-11-10-20-43(42)44)52-55-50(37-16-6-2-7-17-37)54-51(56-52)38-24-27-47-49(33-38)57(41-18-8-3-9-19-41)48-23-13-12-22-46(48)53(47)39-29-34-28-35(31-39)32-40(53)30-34/h1-27,33-35,39-40H,28-32H2.
What are the key properties of 10-phenyl-3-[4-phenyl-6-(4-phenylnaphthalen-1-yl)-1,3,5-triazin-2-yl]spiro[acridine-9,2'-adamantane]?
10-phenyl-3-[4-phenyl-6-(4-phenylnaphthalen-1-yl)-1,3,5-triazin-2-yl]spiro[acridine-9,2'-adamantane] has a molecular weight of 734.95 g/mol, XLogP of 13.22, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 10-phenyl-3-[4-phenyl-6-(4-phenylnaphthalen-1-yl)-1,3,5-triazin-2-yl]spiro[acridine-9,2'-adamantane] is sourced from PubChem (CID 166017943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).