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

C62H59N5 — CID 163853428

IUPAC10-[4-[3-(2-phenylpropan-2-yl)phenyl]-6-spiro[acridine-9,2'-adamantane]-10-yl-1,3,5-triazin-2-yl]spiro[acridine-9,2'-adamantane]
SMILESCC(C)(c1ccccc1)c1cccc(-c2nc(N3c4ccccc4C4(c5ccccc53)C3CC5CC(C3)CC4C5)nc(N3c4ccccc4C4(c5ccccc53)C3CC5CC(C3)CC4C5)n2)c1
InChIInChI=1S/C62H59N5/c1-60(2,43-16-4-3-5-17-43)44-18-14-15-42(37-44)57-63-58(66-53-23-10-6-19-49(53)61(50-20-7-11-24-54(50)66)45-29-38-27-39(31-45)32-46(61)30-38)65-59(64-57)67-55-25-12-8-21-51(55)62(52-22-9-13-26-56(52)67)47-33-40-28-41(35-47)36-48(62)34-40/h3-26,37-41,45-48H,27-36H2,1-2H3
InChIKeySTXCMHAFJKYPGB-UHFFFAOYSA-N
MW874.19 g/mol
LogP14.92
Rot. Bonds5

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

10-[4-[3-(2-phenylpropan-2-yl)phenyl]-6-spiro[acridine-9,2'-adamantane]-10-yl-1,3,5-triazin-2-yl]spiro[acridine-9,2'-adamantane] (PubChem CID 163853428) has the molecular formula C62H59N5 and a molecular weight of 874.19 g/mol. Its IUPAC name is 10-[4-[3-(2-phenylpropan-2-yl)phenyl]-6-spiro[acridine-9,2'-adamantane]-10-yl-1,3,5-triazin-2-yl]spiro[acridine-9,2'-adamantane].

Molecular Properties

Compound Name10-[4-[3-(2-phenylpropan-2-yl)phenyl]-6-spiro[acridine-9,2'-adamantane]-10-yl-1,3,5-triazin-2-yl]spiro[acridine-9,2'-adamantane]
PubChem CID163853428
Molecular FormulaC62H59N5
Molecular Weight874.19 g/mol
Exact Mass873.48
IUPAC Name10-[4-[3-(2-phenylpropan-2-yl)phenyl]-6-spiro[acridine-9,2'-adamantane]-10-yl-1,3,5-triazin-2-yl]spiro[acridine-9,2'-adamantane]
SMILESCC(C)(c1ccccc1)c1cccc(-c2nc(N3c4ccccc4C4(c5ccccc53)C3CC5CC(C3)CC4C5)nc(N3c4ccccc4C4(c5ccccc53)C3CC5CC(C3)CC4C5)n2)c1
InChIInChI=1S/C62H59N5/c1-60(2,43-16-4-3-5-17-43)44-18-14-15-42(37-44)57-63-58(66-53-23-10-6-19-49(53)61(50-20-7-11-24-54(50)66)45-29-38-27-39(31-45)32-46(61)30-38)65-59(64-57)67-55-25-12-8-21-51(55)62(52-22-9-13-26-56(52)67)47-33-40-28-41(35-47)36-48(62)34-40/h3-26,37-41,45-48H,27-36H2,1-2H3
InChIKeySTXCMHAFJKYPGB-UHFFFAOYSA-N
XLogP14.92
TPSA45.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms67
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500874.19
LogP ≤ 514.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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

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Related Compounds

[3-[4,6-di(spiro[acridine-9,2'-adamantane]-10-yl)-1,3,5-triazin-2-yl]phenyl]-triphenylsilane
CID 171600909
10-phenyl-3-[4-phenyl-6-(4-phenylnaphthalen-1-yl)-1,3,5-triazin-2-yl]spiro[acridine-9,2'-adamantane]
CID 166017943
10-phenyl-3-(4-phenylquinazolin-2-yl)spiro[acridine-9,2'-adamantane]
CID 166017823
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
2-(10',10'-dimethylspiro[adamantane-2,9'-anthracene]-2'-yl)-4,6-bis(4-phenylphenyl)-1,3,5-triazine
CID 166017889
2-[3-[4-(4-fluoranthen-8-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-10-phenylspiro[acridine-9,2'-adamantane]
CID 166017922
CID 165165371
CID 165165371
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-[4-[5'-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]spiro[adamantane-2,9'-fluorene]-4'-yl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 164819010
2-(10',10'-diphenylspiro[adamantane-2,9'-anthracene]-2'-yl)-4,6-bis(3-phenylphenyl)-1,3,5-triazine
CID 166017794
2-[3-[3-(10',10'-diphenylspiro[adamantane-2,9'-anthracene]-2'-yl)phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 166018181
6-tert-butyl-9-(3-tert-butylphenyl)spiro[9,15-diaza-2-boraheptacyclo[13.11.1.12,10.03,8.016,21.023,27.014,28]octacosa-1(27),3(8),4,6,10(28),11,13,16,18,20,23,25-dodecaene-22,2'-adamantane]
CID 165165215

Frequently Asked Questions

What is the IUPAC name of 10-[4-[3-(2-phenylpropan-2-yl)phenyl]-6-spiro[acridine-9,2'-adamantane]-10-yl-1,3,5-triazin-2-yl]spiro[acridine-9,2'-adamantane]?
The IUPAC name of 10-[4-[3-(2-phenylpropan-2-yl)phenyl]-6-spiro[acridine-9,2'-adamantane]-10-yl-1,3,5-triazin-2-yl]spiro[acridine-9,2'-adamantane] (CID 163853428) is 10-[4-[3-(2-phenylpropan-2-yl)phenyl]-6-spiro[acridine-9,2'-adamantane]-10-yl-1,3,5-triazin-2-yl]spiro[acridine-9,2'-adamantane].
What is the SMILES notation for 10-[4-[3-(2-phenylpropan-2-yl)phenyl]-6-spiro[acridine-9,2'-adamantane]-10-yl-1,3,5-triazin-2-yl]spiro[acridine-9,2'-adamantane]?
The canonical SMILES for 10-[4-[3-(2-phenylpropan-2-yl)phenyl]-6-spiro[acridine-9,2'-adamantane]-10-yl-1,3,5-triazin-2-yl]spiro[acridine-9,2'-adamantane] is CC(C)(c1ccccc1)c1cccc(-c2nc(N3c4ccccc4C4(c5ccccc53)C3CC5CC(C3)CC4C5)nc(N3c4ccccc4C4(c5ccccc53)C3CC5CC(C3)CC4C5)n2)c1.
What is the InChIKey of 10-[4-[3-(2-phenylpropan-2-yl)phenyl]-6-spiro[acridine-9,2'-adamantane]-10-yl-1,3,5-triazin-2-yl]spiro[acridine-9,2'-adamantane]?
The InChIKey is STXCMHAFJKYPGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C62H59N5/c1-60(2,43-16-4-3-5-17-43)44-18-14-15-42(37-44)57-63-58(66-53-23-10-6-19-49(53)61(50-20-7-11-24-54(50)66)45-29-38-27-39(31-45)32-46(61)30-38)65-59(64-57)67-55-25-12-8-21-51(55)62(52-22-9-13-26-56(52)67)47-33-40-28-41(35-47)36-48(62)34-40/h3-26,37-41,45-48H,27-36H2,1-2H3.
What are the key properties of 10-[4-[3-(2-phenylpropan-2-yl)phenyl]-6-spiro[acridine-9,2'-adamantane]-10-yl-1,3,5-triazin-2-yl]spiro[acridine-9,2'-adamantane]?
10-[4-[3-(2-phenylpropan-2-yl)phenyl]-6-spiro[acridine-9,2'-adamantane]-10-yl-1,3,5-triazin-2-yl]spiro[acridine-9,2'-adamantane] has a molecular weight of 874.19 g/mol, XLogP of 14.92, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 10-[4-[3-(2-phenylpropan-2-yl)phenyl]-6-spiro[acridine-9,2'-adamantane]-10-yl-1,3,5-triazin-2-yl]spiro[acridine-9,2'-adamantane] is sourced from PubChem (CID 163853428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).