N-(9,9-diphenylfluoren-2-yl)-9,9-diphenyl-N-(2,4,6-trideuteriophenyl)fluoren-2-amine

C56H39N — CID 164783967

IUPACN-(9,9-diphenylfluoren-2-yl)-9,9-diphenyl-N-(2,4,6-trideuteriophenyl)fluoren-2-amine
SMILES[2H]c1cc([2H])c(N(c2ccc3c(c2)C(c2ccccc2)(c2ccccc2)c2ccccc2-3)c2ccc3c(c2)C(c2ccccc2)(c2ccccc2)c2ccccc2-3)c([2H])c1
InChIInChI=1S/C56H39N/c1-6-20-40(21-7-1)55(41-22-8-2-9-23-41)51-32-18-16-30-47(51)49-36-34-45(38-53(49)55)57(44-28-14-5-15-29-44)46-35-37-50-48-31-17-19-33-52(48)56(54(50)39-46,42-24-10-3-11-25-42)43-26-12-4-13-27-43/h1-39H/i5D,28D,29D
InChIKeyLIQFXWWBHYEAKN-QBVDXFFXSA-N
MW728.95 g/mol
LogP13.88
Rot. Bonds7

About N-(9,9-diphenylfluoren-2-yl)-9,9-diphenyl-N-(2,4,6-trideuteriophenyl)fluoren-2-amine

N-(9,9-diphenylfluoren-2-yl)-9,9-diphenyl-N-(2,4,6-trideuteriophenyl)fluoren-2-amine (PubChem CID 164783967) has the molecular formula C56H39N and a molecular weight of 728.95 g/mol. Its IUPAC name is N-(9,9-diphenylfluoren-2-yl)-9,9-diphenyl-N-(2,4,6-trideuteriophenyl)fluoren-2-amine.

Molecular Properties

Compound NameN-(9,9-diphenylfluoren-2-yl)-9,9-diphenyl-N-(2,4,6-trideuteriophenyl)fluoren-2-amine
PubChem CID164783967
Molecular FormulaC56H39N
Molecular Weight728.95 g/mol
Exact Mass728.33
IUPAC NameN-(9,9-diphenylfluoren-2-yl)-9,9-diphenyl-N-(2,4,6-trideuteriophenyl)fluoren-2-amine
SMILES[2H]c1cc([2H])c(N(c2ccc3c(c2)C(c2ccccc2)(c2ccccc2)c2ccccc2-3)c2ccc3c(c2)C(c2ccccc2)(c2ccccc2)c2ccccc2-3)c([2H])c1
InChIInChI=1S/C56H39N/c1-6-20-40(21-7-1)55(41-22-8-2-9-23-41)51-32-18-16-30-47(51)49-36-34-45(38-53(49)55)57(44-28-14-5-15-29-44)46-35-37-50-48-31-17-19-33-52(48)56(54(50)39-46,42-24-10-3-11-25-42)43-26-12-4-13-27-43/h1-39H/i5D,28D,29D
InChIKeyLIQFXWWBHYEAKN-QBVDXFFXSA-N
XLogP13.88
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500728.95
LogP ≤ 513.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

9,9-bis(2,3,4,5,6-pentadeuteriophenyl)-N,N-bis[4-(9-phenylfluoren-9-yl)phenyl]fluoren-2-amine
CID 164783664
1-N,3-N,5-N-tris(9,9-diphenylfluoren-2-yl)-1-N,3-N,5-N-triphenylbenzene-1,3,5-triamine
CID 132601190
N-(4-chlorophenyl)-N,9,9-triphenylfluoren-2-amine
CID 139762369
9,9-diphenyl-N-[4-(9-phenylfluoren-9-yl)phenyl]-N-[4-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 121464320
N,9,9-triphenyl-N-(4-phenylphenyl)fluoren-2-amine
CID 86198899
N-(9,9-diphenylfluoren-2-yl)-9,9-diphenyl-N-[4-(2-phenylphenyl)phenyl]fluoren-2-amine
CID 118298160
N-(4-methylphenyl)-9,9-diphenyl-N-[4-(9-phenylfluoren-9-yl)phenyl]fluoren-2-amine
CID 121381203
N,N-bis(9,9-diphenylfluoren-3-yl)-9,9-diphenylfluoren-3-amine
CID 121423738
N-(9,9-diphenylfluoren-2-yl)-N-[3-methyl-4-(2-methylphenyl)phenyl]-9,9-diphenylfluoren-2-amine
CID 118298184
N-(9,9-diphenylfluoren-2-yl)-N-(3,5-diphenylphenyl)-9,9'-spirobi[fluorene]-2-amine
CID 118298464
N-[9,9-bis(2,3,4,5,6-pentadeuteriophenyl)fluoren-2-yl]-9-(2,3,4,5,6-pentadeuteriophenyl)-N-(4-phenylphenyl)-9-(2,3,4,5-tetradeuteriophenyl)fluoren-2-amine
CID 164783522
9,9-diphenyl-N-(2-phenylphenyl)-N-[2,3,5,6-tetradeuterio-4-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 171451168

Frequently Asked Questions

What is the IUPAC name of N-(9,9-diphenylfluoren-2-yl)-9,9-diphenyl-N-(2,4,6-trideuteriophenyl)fluoren-2-amine?
The IUPAC name of N-(9,9-diphenylfluoren-2-yl)-9,9-diphenyl-N-(2,4,6-trideuteriophenyl)fluoren-2-amine (CID 164783967) is N-(9,9-diphenylfluoren-2-yl)-9,9-diphenyl-N-(2,4,6-trideuteriophenyl)fluoren-2-amine.
What is the SMILES notation for N-(9,9-diphenylfluoren-2-yl)-9,9-diphenyl-N-(2,4,6-trideuteriophenyl)fluoren-2-amine?
The canonical SMILES for N-(9,9-diphenylfluoren-2-yl)-9,9-diphenyl-N-(2,4,6-trideuteriophenyl)fluoren-2-amine is [2H]c1cc([2H])c(N(c2ccc3c(c2)C(c2ccccc2)(c2ccccc2)c2ccccc2-3)c2ccc3c(c2)C(c2ccccc2)(c2ccccc2)c2ccccc2-3)c([2H])c1.
What is the InChIKey of N-(9,9-diphenylfluoren-2-yl)-9,9-diphenyl-N-(2,4,6-trideuteriophenyl)fluoren-2-amine?
The InChIKey is LIQFXWWBHYEAKN-QBVDXFFXSA-N. The full InChI is InChI=1S/C56H39N/c1-6-20-40(21-7-1)55(41-22-8-2-9-23-41)51-32-18-16-30-47(51)49-36-34-45(38-53(49)55)57(44-28-14-5-15-29-44)46-35-37-50-48-31-17-19-33-52(48)56(54(50)39-46,42-24-10-3-11-25-42)43-26-12-4-13-27-43/h1-39H/i5D,28D,29D.
What are the key properties of N-(9,9-diphenylfluoren-2-yl)-9,9-diphenyl-N-(2,4,6-trideuteriophenyl)fluoren-2-amine?
N-(9,9-diphenylfluoren-2-yl)-9,9-diphenyl-N-(2,4,6-trideuteriophenyl)fluoren-2-amine has a molecular weight of 728.95 g/mol, XLogP of 13.88, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(9,9-diphenylfluoren-2-yl)-9,9-diphenyl-N-(2,4,6-trideuteriophenyl)fluoren-2-amine is sourced from PubChem (CID 164783967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).