9-(9,9-dimethylfluoren-1-yl)-10-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-3,5-dimethylphenyl]-9-phenylacridine

C57H44N4 — CID 146513880

IUPAC9-(9,9-dimethylfluoren-1-yl)-10-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-3,5-dimethylphenyl]-9-phenylacridine
SMILESCc1cc(N2c3ccccc3C(c3ccccc3)(c3cccc4c3C(C)(C)c3ccccc3-4)c3ccccc32)cc(C)c1-c1nc(-c2ccccc2)nc(-c2ccccc2)n1
InChIInChI=1S/C57H44N4/c1-37-35-42(36-38(2)51(37)55-59-53(39-21-8-5-9-22-39)58-54(60-55)40-23-10-6-11-24-40)61-49-33-18-16-30-46(49)57(41-25-12-7-13-26-41,47-31-17-19-34-50(47)61)48-32-20-28-44-43-27-14-15-29-45(43)56(3,4)52(44)48/h5-36H,1-4H3
InChIKeyXAXDVESAQWQTAG-UHFFFAOYSA-N
MW785.01 g/mol
LogP13.96
Rot. Bonds6

About 9-(9,9-dimethylfluoren-1-yl)-10-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-3,5-dimethylphenyl]-9-phenylacridine

9-(9,9-dimethylfluoren-1-yl)-10-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-3,5-dimethylphenyl]-9-phenylacridine (PubChem CID 146513880) has the molecular formula C57H44N4 and a molecular weight of 785.01 g/mol. Its IUPAC name is 9-(9,9-dimethylfluoren-1-yl)-10-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-3,5-dimethylphenyl]-9-phenylacridine.

Molecular Properties

Compound Name9-(9,9-dimethylfluoren-1-yl)-10-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-3,5-dimethylphenyl]-9-phenylacridine
PubChem CID146513880
Molecular FormulaC57H44N4
Molecular Weight785.01 g/mol
Exact Mass784.36
IUPAC Name9-(9,9-dimethylfluoren-1-yl)-10-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-3,5-dimethylphenyl]-9-phenylacridine
SMILESCc1cc(N2c3ccccc3C(c3ccccc3)(c3cccc4c3C(C)(C)c3ccccc3-4)c3ccccc32)cc(C)c1-c1nc(-c2ccccc2)nc(-c2ccccc2)n1
InChIInChI=1S/C57H44N4/c1-37-35-42(36-38(2)51(37)55-59-53(39-21-8-5-9-22-39)58-54(60-55)40-23-10-6-11-24-40)61-49-33-18-16-30-46(49)57(41-25-12-7-13-26-41,47-31-17-19-34-50(47)61)48-32-20-28-44-43-27-14-15-29-45(43)56(3,4)52(44)48/h5-36H,1-4H3
InChIKeyXAXDVESAQWQTAG-UHFFFAOYSA-N
XLogP13.96
TPSA41.91 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms61
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500785.01
LogP ≤ 513.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

9-(9,9-dimethylfluoren-1-yl)-10-(9,9-dimethylfluoren-2-yl)-9-phenylacridine
CID 153463086
10-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2,5-dimethylphenyl]-9-phenyl-9-(9-phenylcarbazol-3-yl)acridine;10-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-3,5-dimethylphenyl]-9-phenyl-9-(9-phenylcarbazol-3-yl)acridine
CID 160979766
9-(9,9-dimethylfluoren-1-yl)-9-phenyl-10-(9-phenylcarbazol-3-yl)acridine
CID 153463090
9-(9,9-dimethylfluoren-1-yl)-9-phenyl-10-(9-phenylcarbazol-2-yl)acridine
CID 153463100
10-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2,5-dimethylphenyl]-9-naphtho[2,1-b][1]benzofuran-6-yl-9-phenylacridine;10-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-3,5-dimethylphenyl]-9-naphtho[2,1-b][1]benzofuran-6-yl-9-phenylacridine;10-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-methylphenyl]-9-naphtho[2,1-b][1]benzofuran-6-yl-9-phenylacridine
CID 161068023
10-[3-(9,9-dimethylacridin-10-yl)-5-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-9,9-dimethylacridine
CID 118528452
10-[4-[4-[4-(9,9-dimethylacridin-10-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-9,9-dimethylacridine
CID 118528442
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-[3-(9,9-dimethylfluoren-1-yl)phenyl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
CID 129150867
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
4'-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]-10-phenylspiro[acridine-9,9'-fluorene]
CID 146495788

Frequently Asked Questions

What is the IUPAC name of 9-(9,9-dimethylfluoren-1-yl)-10-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-3,5-dimethylphenyl]-9-phenylacridine?
The IUPAC name of 9-(9,9-dimethylfluoren-1-yl)-10-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-3,5-dimethylphenyl]-9-phenylacridine (CID 146513880) is 9-(9,9-dimethylfluoren-1-yl)-10-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-3,5-dimethylphenyl]-9-phenylacridine.
What is the SMILES notation for 9-(9,9-dimethylfluoren-1-yl)-10-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-3,5-dimethylphenyl]-9-phenylacridine?
The canonical SMILES for 9-(9,9-dimethylfluoren-1-yl)-10-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-3,5-dimethylphenyl]-9-phenylacridine is Cc1cc(N2c3ccccc3C(c3ccccc3)(c3cccc4c3C(C)(C)c3ccccc3-4)c3ccccc32)cc(C)c1-c1nc(-c2ccccc2)nc(-c2ccccc2)n1.
What is the InChIKey of 9-(9,9-dimethylfluoren-1-yl)-10-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-3,5-dimethylphenyl]-9-phenylacridine?
The InChIKey is XAXDVESAQWQTAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H44N4/c1-37-35-42(36-38(2)51(37)55-59-53(39-21-8-5-9-22-39)58-54(60-55)40-23-10-6-11-24-40)61-49-33-18-16-30-46(49)57(41-25-12-7-13-26-41,47-31-17-19-34-50(47)61)48-32-20-28-44-43-27-14-15-29-45(43)56(3,4)52(44)48/h5-36H,1-4H3.
What are the key properties of 9-(9,9-dimethylfluoren-1-yl)-10-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-3,5-dimethylphenyl]-9-phenylacridine?
9-(9,9-dimethylfluoren-1-yl)-10-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-3,5-dimethylphenyl]-9-phenylacridine has a molecular weight of 785.01 g/mol, XLogP of 13.96, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(9,9-dimethylfluoren-1-yl)-10-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-3,5-dimethylphenyl]-9-phenylacridine is sourced from PubChem (CID 146513880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).