10-[4-[4-(1-adamantyl)-6-(1-tricyclo[5.3.1.04,9]undecanyl)-1,3,5-triazin-2-yl]phenyl]spiro[acridine-9,9'-fluorene]

C55H52N4 — CID 146409245

IUPAC10-[4-[4-(1-adamantyl)-6-(1-tricyclo[5.3.1.04,9]undecanyl)-1,3,5-triazin-2-yl]phenyl]spiro[acridine-9,9'-fluorene]
SMILESc1ccc2c(c1)-c1ccccc1C21c2ccccc2N(c2ccc(-c3nc(C45CC6CC(CC(C6)C4)C5)nc(C45CCC6CCC(CC6C4)C5)n3)cc2)c2ccccc21
InChIInChI=1S/C55H52N4/c1-3-11-44-42(9-1)43-10-2-4-12-45(43)55(44)46-13-5-7-15-48(46)59(49-16-8-6-14-47(49)55)41-21-19-39(20-22-41)50-56-51(53-24-23-38-18-17-34(29-53)28-40(38)33-53)58-52(57-50)54-30-35-25-36(31-54)27-37(26-35)32-54/h1-16,19-22,34-38,40H,17-18,23-33H2
InChIKeyIONNBOQBTWFAII-UHFFFAOYSA-N
MW769.05 g/mol
LogP13.01
Rot. Bonds4

About 10-[4-[4-(1-adamantyl)-6-(1-tricyclo[5.3.1.04,9]undecanyl)-1,3,5-triazin-2-yl]phenyl]spiro[acridine-9,9'-fluorene]

10-[4-[4-(1-adamantyl)-6-(1-tricyclo[5.3.1.04,9]undecanyl)-1,3,5-triazin-2-yl]phenyl]spiro[acridine-9,9'-fluorene] (PubChem CID 146409245) has the molecular formula C55H52N4 and a molecular weight of 769.05 g/mol. Its IUPAC name is 10-[4-[4-(1-adamantyl)-6-(1-tricyclo[5.3.1.04,9]undecanyl)-1,3,5-triazin-2-yl]phenyl]spiro[acridine-9,9'-fluorene].

Molecular Properties

Compound Name10-[4-[4-(1-adamantyl)-6-(1-tricyclo[5.3.1.04,9]undecanyl)-1,3,5-triazin-2-yl]phenyl]spiro[acridine-9,9'-fluorene]
PubChem CID146409245
Molecular FormulaC55H52N4
Molecular Weight769.05 g/mol
Exact Mass768.42
IUPAC Name10-[4-[4-(1-adamantyl)-6-(1-tricyclo[5.3.1.04,9]undecanyl)-1,3,5-triazin-2-yl]phenyl]spiro[acridine-9,9'-fluorene]
SMILESc1ccc2c(c1)-c1ccccc1C21c2ccccc2N(c2ccc(-c3nc(C45CC6CC(CC(C6)C4)C5)nc(C45CCC6CCC(CC6C4)C5)n3)cc2)c2ccccc21
InChIInChI=1S/C55H52N4/c1-3-11-44-42(9-1)43-10-2-4-12-45(43)55(44)46-13-5-7-15-48(46)59(49-16-8-6-14-47(49)55)41-21-19-39(20-22-41)50-56-51(53-24-23-38-18-17-34(29-53)28-40(38)33-53)58-52(57-50)54-30-35-25-36(31-54)27-37(26-35)32-54/h1-16,19-22,34-38,40H,17-18,23-33H2
InChIKeyIONNBOQBTWFAII-UHFFFAOYSA-N
XLogP13.01
TPSA41.91 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms59
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500769.05
LogP ≤ 513.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 10-[4-[4-(1-adamantyl)-6-(1-tricyclo[5.3.1.04,9]undecanyl)-1,3,5-triazin-2-yl]phenyl]spiro[acridine-9,9'-fluorene] with MolForge

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Related Compounds

10-[4-[4,6-bis(1-adamantyl)-1,3,5-triazin-2-yl]phenyl]spiro[acridine-9,9'-fluorene]
CID 146906159
10-[4-[4,6-bis(3-tricyclo[3.3.1.03,7]nonanyl)-1,3,5-triazin-2-yl]phenyl]spiro[acridine-9,9'-fluorene]
CID 163575994
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-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-10-phenylspiro[acridine-9,9'-fluorene]
CID 139521181
2'-(2,6-diphenylpyrimidin-4-yl)-10-phenylspiro[acridine-9,9'-fluorene]
CID 129263417
2'-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-10-phenylspiro[acridine-9,9'-fluorene]
CID 129263896
4',10-diphenyl-2'-(4-phenylphenyl)spiro[acridine-9,5'-indeno[1,2-d]pyrimidine]
CID 118372549
2'-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-10-phenylspiro[acridine-9,9'-fluorene];2'-(4,6-diphenyl-1,3,5-triazin-2-yl)-10-phenylspiro[acridine-9,9'-fluorene];10-phenyl-2'-[4-phenyl-6-[3-(4-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]spiro[acridine-9,9'-fluorene];10-phenyl-2'-[4-phenyl-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]spiro[acridine-9,9'-fluorene];10-phenyl-2'-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]spiro[acridine-9,9'-fluorene];10-phenyl-2'-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]spiro[acridine-9,9'-fluorene]
CID 161230915
2-[3-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-10-phenylspiro[acridine-9,9'-fluorene];10-phenyl-2-[3-[4-phenyl-6-[3-(4-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]phenyl]spiro[acridine-9,9'-fluorene];10-phenyl-2-[3-[4-phenyl-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]phenyl]spiro[acridine-9,9'-fluorene];10-phenyl-2-[3-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]spiro[acridine-9,9'-fluorene]
CID 158956061
10-phenyl-2'-[3-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]spiro[acridine-9,9'-fluorene];10-phenyl-2'-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]spiro[acridine-9,9'-fluorene]
CID 160589680
2'-[3-[4-[4,6-bis(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]-10-phenylspiro[acridine-9,9'-fluorene]
CID 129263735
2'-[4-[4,6-bis(3-phenylphenyl)pyrimidin-2-yl]phenyl]-10-phenylspiro[acridine-9,9'-fluorene]
CID 167176793

Frequently Asked Questions

What is the IUPAC name of 10-[4-[4-(1-adamantyl)-6-(1-tricyclo[5.3.1.04,9]undecanyl)-1,3,5-triazin-2-yl]phenyl]spiro[acridine-9,9'-fluorene]?
The IUPAC name of 10-[4-[4-(1-adamantyl)-6-(1-tricyclo[5.3.1.04,9]undecanyl)-1,3,5-triazin-2-yl]phenyl]spiro[acridine-9,9'-fluorene] (CID 146409245) is 10-[4-[4-(1-adamantyl)-6-(1-tricyclo[5.3.1.04,9]undecanyl)-1,3,5-triazin-2-yl]phenyl]spiro[acridine-9,9'-fluorene].
What is the SMILES notation for 10-[4-[4-(1-adamantyl)-6-(1-tricyclo[5.3.1.04,9]undecanyl)-1,3,5-triazin-2-yl]phenyl]spiro[acridine-9,9'-fluorene]?
The canonical SMILES for 10-[4-[4-(1-adamantyl)-6-(1-tricyclo[5.3.1.04,9]undecanyl)-1,3,5-triazin-2-yl]phenyl]spiro[acridine-9,9'-fluorene] is c1ccc2c(c1)-c1ccccc1C21c2ccccc2N(c2ccc(-c3nc(C45CC6CC(CC(C6)C4)C5)nc(C45CCC6CCC(CC6C4)C5)n3)cc2)c2ccccc21.
What is the InChIKey of 10-[4-[4-(1-adamantyl)-6-(1-tricyclo[5.3.1.04,9]undecanyl)-1,3,5-triazin-2-yl]phenyl]spiro[acridine-9,9'-fluorene]?
The InChIKey is IONNBOQBTWFAII-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H52N4/c1-3-11-44-42(9-1)43-10-2-4-12-45(43)55(44)46-13-5-7-15-48(46)59(49-16-8-6-14-47(49)55)41-21-19-39(20-22-41)50-56-51(53-24-23-38-18-17-34(29-53)28-40(38)33-53)58-52(57-50)54-30-35-25-36(31-54)27-37(26-35)32-54/h1-16,19-22,34-38,40H,17-18,23-33H2.
What are the key properties of 10-[4-[4-(1-adamantyl)-6-(1-tricyclo[5.3.1.04,9]undecanyl)-1,3,5-triazin-2-yl]phenyl]spiro[acridine-9,9'-fluorene]?
10-[4-[4-(1-adamantyl)-6-(1-tricyclo[5.3.1.04,9]undecanyl)-1,3,5-triazin-2-yl]phenyl]spiro[acridine-9,9'-fluorene] has a molecular weight of 769.05 g/mol, XLogP of 13.01, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 10-[4-[4-(1-adamantyl)-6-(1-tricyclo[5.3.1.04,9]undecanyl)-1,3,5-triazin-2-yl]phenyl]spiro[acridine-9,9'-fluorene] is sourced from PubChem (CID 146409245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).