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

C54H50N4 — CID 146906159

IUPAC10-[4-[4,6-bis(1-adamantyl)-1,3,5-triazin-2-yl]phenyl]spiro[acridine-9,9'-fluorene]
SMILESc1ccc2c(c1)-c1ccccc1C21c2ccccc2N(c2ccc(-c3nc(C45CC6CC(CC(C6)C4)C5)nc(C45CC6CC(CC(C6)C4)C5)n3)cc2)c2ccccc21
InChIInChI=1S/C54H50N4/c1-3-11-43-41(9-1)42-10-2-4-12-44(42)54(43)45-13-5-7-15-47(45)58(48-16-8-6-14-46(48)54)40-19-17-39(18-20-40)49-55-50(52-27-33-21-34(28-52)23-35(22-33)29-52)57-51(56-49)53-30-36-24-37(31-53)26-38(25-36)32-53/h1-20,33-38H,21-32H2
InChIKeyAAKKBFLVAAPDCF-UHFFFAOYSA-N
MW755.02 g/mol
LogP12.62
Rot. Bonds4

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

10-[4-[4,6-bis(1-adamantyl)-1,3,5-triazin-2-yl]phenyl]spiro[acridine-9,9'-fluorene] (PubChem CID 146906159) has the molecular formula C54H50N4 and a molecular weight of 755.02 g/mol. Its IUPAC name is 10-[4-[4,6-bis(1-adamantyl)-1,3,5-triazin-2-yl]phenyl]spiro[acridine-9,9'-fluorene].

Molecular Properties

Compound Name10-[4-[4,6-bis(1-adamantyl)-1,3,5-triazin-2-yl]phenyl]spiro[acridine-9,9'-fluorene]
PubChem CID146906159
Molecular FormulaC54H50N4
Molecular Weight755.02 g/mol
Exact Mass754.40
IUPAC Name10-[4-[4,6-bis(1-adamantyl)-1,3,5-triazin-2-yl]phenyl]spiro[acridine-9,9'-fluorene]
SMILESc1ccc2c(c1)-c1ccccc1C21c2ccccc2N(c2ccc(-c3nc(C45CC6CC(CC(C6)C4)C5)nc(C45CC6CC(CC(C6)C4)C5)n3)cc2)c2ccccc21
InChIInChI=1S/C54H50N4/c1-3-11-43-41(9-1)42-10-2-4-12-44(42)54(43)45-13-5-7-15-47(45)58(48-16-8-6-14-46(48)54)40-19-17-39(18-20-40)49-55-50(52-27-33-21-34(28-52)23-35(22-33)29-52)57-51(56-49)53-30-36-24-37(31-53)26-38(25-36)32-53/h1-20,33-38H,21-32H2
InChIKeyAAKKBFLVAAPDCF-UHFFFAOYSA-N
XLogP12.62
TPSA41.91 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500755.02
LogP ≤ 512.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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-[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
2'-[4-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-10-phenylspiro[acridine-9,9'-fluorene]
CID 139521181
10-phenyl-3-[4-phenyl-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]spiro[acridine-9,9'-fluorene]
CID 139521203
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-[4,6-bis(1-adamantyl)-1,3,5-triazin-2-yl]phenyl]spiro[acridine-9,9'-fluorene]?
The IUPAC name of 10-[4-[4,6-bis(1-adamantyl)-1,3,5-triazin-2-yl]phenyl]spiro[acridine-9,9'-fluorene] (CID 146906159) is 10-[4-[4,6-bis(1-adamantyl)-1,3,5-triazin-2-yl]phenyl]spiro[acridine-9,9'-fluorene].
What is the SMILES notation for 10-[4-[4,6-bis(1-adamantyl)-1,3,5-triazin-2-yl]phenyl]spiro[acridine-9,9'-fluorene]?
The canonical SMILES for 10-[4-[4,6-bis(1-adamantyl)-1,3,5-triazin-2-yl]phenyl]spiro[acridine-9,9'-fluorene] is c1ccc2c(c1)-c1ccccc1C21c2ccccc2N(c2ccc(-c3nc(C45CC6CC(CC(C6)C4)C5)nc(C45CC6CC(CC(C6)C4)C5)n3)cc2)c2ccccc21.
What is the InChIKey of 10-[4-[4,6-bis(1-adamantyl)-1,3,5-triazin-2-yl]phenyl]spiro[acridine-9,9'-fluorene]?
The InChIKey is AAKKBFLVAAPDCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H50N4/c1-3-11-43-41(9-1)42-10-2-4-12-44(42)54(43)45-13-5-7-15-47(45)58(48-16-8-6-14-46(48)54)40-19-17-39(18-20-40)49-55-50(52-27-33-21-34(28-52)23-35(22-33)29-52)57-51(56-49)53-30-36-24-37(31-53)26-38(25-36)32-53/h1-20,33-38H,21-32H2.
What are the key properties of 10-[4-[4,6-bis(1-adamantyl)-1,3,5-triazin-2-yl]phenyl]spiro[acridine-9,9'-fluorene]?
10-[4-[4,6-bis(1-adamantyl)-1,3,5-triazin-2-yl]phenyl]spiro[acridine-9,9'-fluorene] has a molecular weight of 755.02 g/mol, XLogP of 12.62, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 10-[4-[4,6-bis(1-adamantyl)-1,3,5-triazin-2-yl]phenyl]spiro[acridine-9,9'-fluorene] is sourced from PubChem (CID 146906159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).