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

C64H44N4 — CID 129263303

IUPAC10-phenyl-3'-[2-[3-[2-phenyl-6-(4-phenylphenyl)-1,4-dihydro-1,3,5-triazin-4-yl]phenyl]phenyl]spiro[acridine-9,9'-fluorene]
SMILESc1ccc(C2=NC(c3cccc(-c4ccccc4-c4ccc5c(c4)-c4ccccc4C54c5ccccc5N(c5ccccc5)c5ccccc54)c3)N=C(c3ccc(-c4ccccc4)cc3)N2)cc1
InChIInChI=1S/C64H44N4/c1-4-19-43(20-5-1)44-35-37-46(38-36-44)62-65-61(45-21-6-2-7-22-45)66-63(67-62)49-24-18-23-47(41-49)51-27-10-11-28-52(51)48-39-40-56-54(42-48)53-29-12-13-30-55(53)64(56)57-31-14-16-33-59(57)68(50-25-8-3-9-26-50)60-34-17-15-32-58(60)64/h1-42,63H,(H,65,66,67)
InChIKeyBYZSIFOSHKOVBN-UHFFFAOYSA-N
MW869.08 g/mol
LogP15.33
Rot. Bonds7

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

10-phenyl-3'-[2-[3-[2-phenyl-6-(4-phenylphenyl)-1,4-dihydro-1,3,5-triazin-4-yl]phenyl]phenyl]spiro[acridine-9,9'-fluorene] (PubChem CID 129263303) has the molecular formula C64H44N4 and a molecular weight of 869.08 g/mol. Its IUPAC name is 10-phenyl-3'-[2-[3-[2-phenyl-6-(4-phenylphenyl)-1,4-dihydro-1,3,5-triazin-4-yl]phenyl]phenyl]spiro[acridine-9,9'-fluorene].

Molecular Properties

Compound Name10-phenyl-3'-[2-[3-[2-phenyl-6-(4-phenylphenyl)-1,4-dihydro-1,3,5-triazin-4-yl]phenyl]phenyl]spiro[acridine-9,9'-fluorene]
PubChem CID129263303
Molecular FormulaC64H44N4
Molecular Weight869.08 g/mol
Exact Mass868.36
IUPAC Name10-phenyl-3'-[2-[3-[2-phenyl-6-(4-phenylphenyl)-1,4-dihydro-1,3,5-triazin-4-yl]phenyl]phenyl]spiro[acridine-9,9'-fluorene]
SMILESc1ccc(C2=NC(c3cccc(-c4ccccc4-c4ccc5c(c4)-c4ccccc4C54c5ccccc5N(c5ccccc5)c5ccccc54)c3)N=C(c3ccc(-c4ccccc4)cc3)N2)cc1
InChIInChI=1S/C64H44N4/c1-4-19-43(20-5-1)44-35-37-46(38-36-44)62-65-61(45-21-6-2-7-22-45)66-63(67-62)49-24-18-23-47(41-49)51-27-10-11-28-52(51)48-39-40-56-54(42-48)53-29-12-13-30-55(53)64(56)57-31-14-16-33-59(57)68(50-25-8-3-9-26-50)60-34-17-15-32-58(60)64/h1-42,63H,(H,65,66,67)
InChIKeyBYZSIFOSHKOVBN-UHFFFAOYSA-N
XLogP15.33
TPSA39.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms68
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500869.08
LogP ≤ 515.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

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Related Compounds

2'-[3-[2,6-bis(4-fluorophenyl)-1,4-dihydro-1,3,5-triazin-4-yl]phenyl]-10-phenylspiro[acridine-9,9'-fluorene]
CID 129263672
2'-[3-[3-(4,6-diphenyl-1,4-dihydro-1,3,5-triazin-2-yl)phenyl]phenyl]-10-phenylspiro[acridine-9,9'-fluorene]
CID 129263428
10-phenyl-3'-[4-[3-[2-phenyl-6-(4-phenylphenyl)-1,2-dihydro-1,3,5-triazin-4-yl]phenyl]phenyl]spiro[acridine-9,9'-fluorene]
CID 137217473
10-phenyl-2'-[2-[2-[2-phenyl-6-(4-phenylphenyl)-1,2-dihydro-1,3,5-triazin-4-yl]phenyl]phenyl]spiro[acridine-9,9'-fluorene]
CID 137217476
10-phenyl-2'-[2-[4-[2-phenyl-6-(4-phenylphenyl)-1,4-dihydropyrimidin-4-yl]phenyl]phenyl]spiro[acridine-9,9'-fluorene]
CID 129263552
3'-[3-(4-methylphenyl)phenyl]-10-phenylspiro[acridine-9,9'-fluorene];toluene
CID 145334426
10-phenyl-2'-[3-[4-phenyl-2-(3-phenylphenyl)-1,4-dihydropyrimidin-6-yl]phenyl]spiro[acridine-9,9'-fluorene]
CID 129263663
2'-[4-[3-[4,6-bis(4-phenylphenyl)-1,3,5-triazinan-2-yl]phenyl]phenyl]-10-phenylspiro[acridine-9,9'-fluorene]
CID 129263734
2-phenyl-4-(4-phenylphenyl)-6-(9,9'-spirobi[fluorene]-2-yl)-1,4-dihydro-1,3,5-triazine
CID 152940475
4-[3-[3-(9,9-diphenylfluoren-2-yl)phenyl]phenyl]-2,6-diphenyl-1,4-dihydro-1,3,5-triazine
CID 139400710
2-[3-(9,9-diphenylfluoren-3-yl)phenyl]-6-phenyl-4-triphenylen-2-yl-1,4-dihydro-1,3,5-triazine
CID 174294989
10-phenyl-2'-[3-[2-[4-phenyl-2-(4-phenylphenyl)-1,2-dihydropyrimidin-6-yl]phenyl]phenyl]spiro[acridine-9,9'-fluorene]
CID 129263445

Frequently Asked Questions

What is the IUPAC name of 10-phenyl-3'-[2-[3-[2-phenyl-6-(4-phenylphenyl)-1,4-dihydro-1,3,5-triazin-4-yl]phenyl]phenyl]spiro[acridine-9,9'-fluorene]?
The IUPAC name of 10-phenyl-3'-[2-[3-[2-phenyl-6-(4-phenylphenyl)-1,4-dihydro-1,3,5-triazin-4-yl]phenyl]phenyl]spiro[acridine-9,9'-fluorene] (CID 129263303) is 10-phenyl-3'-[2-[3-[2-phenyl-6-(4-phenylphenyl)-1,4-dihydro-1,3,5-triazin-4-yl]phenyl]phenyl]spiro[acridine-9,9'-fluorene].
What is the SMILES notation for 10-phenyl-3'-[2-[3-[2-phenyl-6-(4-phenylphenyl)-1,4-dihydro-1,3,5-triazin-4-yl]phenyl]phenyl]spiro[acridine-9,9'-fluorene]?
The canonical SMILES for 10-phenyl-3'-[2-[3-[2-phenyl-6-(4-phenylphenyl)-1,4-dihydro-1,3,5-triazin-4-yl]phenyl]phenyl]spiro[acridine-9,9'-fluorene] is c1ccc(C2=NC(c3cccc(-c4ccccc4-c4ccc5c(c4)-c4ccccc4C54c5ccccc5N(c5ccccc5)c5ccccc54)c3)N=C(c3ccc(-c4ccccc4)cc3)N2)cc1.
What is the InChIKey of 10-phenyl-3'-[2-[3-[2-phenyl-6-(4-phenylphenyl)-1,4-dihydro-1,3,5-triazin-4-yl]phenyl]phenyl]spiro[acridine-9,9'-fluorene]?
The InChIKey is BYZSIFOSHKOVBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H44N4/c1-4-19-43(20-5-1)44-35-37-46(38-36-44)62-65-61(45-21-6-2-7-22-45)66-63(67-62)49-24-18-23-47(41-49)51-27-10-11-28-52(51)48-39-40-56-54(42-48)53-29-12-13-30-55(53)64(56)57-31-14-16-33-59(57)68(50-25-8-3-9-26-50)60-34-17-15-32-58(60)64/h1-42,63H,(H,65,66,67).
What are the key properties of 10-phenyl-3'-[2-[3-[2-phenyl-6-(4-phenylphenyl)-1,4-dihydro-1,3,5-triazin-4-yl]phenyl]phenyl]spiro[acridine-9,9'-fluorene]?
10-phenyl-3'-[2-[3-[2-phenyl-6-(4-phenylphenyl)-1,4-dihydro-1,3,5-triazin-4-yl]phenyl]phenyl]spiro[acridine-9,9'-fluorene] has a molecular weight of 869.08 g/mol, XLogP of 15.33, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 10-phenyl-3'-[2-[3-[2-phenyl-6-(4-phenylphenyl)-1,4-dihydro-1,3,5-triazin-4-yl]phenyl]phenyl]spiro[acridine-9,9'-fluorene] is sourced from PubChem (CID 129263303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).