N-(9,9-dimethylfluoren-4-yl)-N-[4-(9,9-diphenylfluoren-2-yl)phenyl]-9-methyl-9-phenylfluoren-2-amine

C66H49N — CID 171453735

IUPACN-(9,9-dimethylfluoren-4-yl)-N-[4-(9,9-diphenylfluoren-2-yl)phenyl]-9-methyl-9-phenylfluoren-2-amine
SMILESCC1(C)c2ccccc2-c2c(N(c3ccc(-c4ccc5c(c4)C(c4ccccc4)(c4ccccc4)c4ccccc4-5)cc3)c3ccc4c(c3)C(C)(c3ccccc3)c3ccccc3-4)cccc21
InChIInChI=1S/C66H49N/c1-64(2)56-29-16-15-28-55(56)63-59(64)32-19-33-62(63)67(50-39-41-53-51-26-13-17-30-57(51)65(3,60(53)43-50)46-20-7-4-8-21-46)49-37-34-44(35-38-49)45-36-40-54-52-27-14-18-31-58(52)66(61(54)42-45,47-22-9-5-10-23-47)48-24-11-6-12-25-48/h4-43H,1-3H3
InChIKeyVVUMKNSAIOTWSJ-UHFFFAOYSA-N
MW856.13 g/mol
LogP16.83
Rot. Bonds7

About N-(9,9-dimethylfluoren-4-yl)-N-[4-(9,9-diphenylfluoren-2-yl)phenyl]-9-methyl-9-phenylfluoren-2-amine

N-(9,9-dimethylfluoren-4-yl)-N-[4-(9,9-diphenylfluoren-2-yl)phenyl]-9-methyl-9-phenylfluoren-2-amine (PubChem CID 171453735) has the molecular formula C66H49N and a molecular weight of 856.13 g/mol. Its IUPAC name is N-(9,9-dimethylfluoren-4-yl)-N-[4-(9,9-diphenylfluoren-2-yl)phenyl]-9-methyl-9-phenylfluoren-2-amine.

Molecular Properties

Compound NameN-(9,9-dimethylfluoren-4-yl)-N-[4-(9,9-diphenylfluoren-2-yl)phenyl]-9-methyl-9-phenylfluoren-2-amine
PubChem CID171453735
Molecular FormulaC66H49N
Molecular Weight856.13 g/mol
Exact Mass855.39
IUPAC NameN-(9,9-dimethylfluoren-4-yl)-N-[4-(9,9-diphenylfluoren-2-yl)phenyl]-9-methyl-9-phenylfluoren-2-amine
SMILESCC1(C)c2ccccc2-c2c(N(c3ccc(-c4ccc5c(c4)C(c4ccccc4)(c4ccccc4)c4ccccc4-5)cc3)c3ccc4c(c3)C(C)(c3ccccc3)c3ccccc3-4)cccc21
InChIInChI=1S/C66H49N/c1-64(2)56-29-16-15-28-55(56)63-59(64)32-19-33-62(63)67(50-39-41-53-51-26-13-17-30-57(51)65(3,60(53)43-50)46-20-7-4-8-21-46)49-37-34-44(35-38-49)45-36-40-54-52-27-14-18-31-58(52)66(61(54)42-45,47-22-9-5-10-23-47)48-24-11-6-12-25-48/h4-43H,1-3H3
InChIKeyVVUMKNSAIOTWSJ-UHFFFAOYSA-N
XLogP16.83
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms67
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500856.13
LogP ≤ 516.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N-(9,9-diphenylfluoren-4-yl)-N-[4-(9,9-diphenylfluoren-2-yl)phenyl]-9-methyl-9-phenylfluoren-2-amine
CID 171453500
N-(9,9-dimethylfluoren-4-yl)-N-[4-(9-methyl-9-phenylfluoren-4-yl)phenyl]-9,9-diphenylfluoren-2-amine
CID 171453410
N-(9,9-diphenylfluoren-2-yl)-N-(9,9-diphenylfluoren-4-yl)-9,9-dimethylfluoren-2-amine;N-(9,9-diphenylfluoren-2-yl)-N-(9,9-diphenylfluoren-4-yl)-9,9-diphenylfluoren-2-amine;N-(9,9-diphenylfluoren-2-yl)-N-(9,9-diphenylfluoren-4-yl)-9-methyl-9-phenylfluoren-2-amine
CID 160677650
N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-N-(9,9-diphenylfluoren-4-yl)-9,9-dimethylfluoren-2-amine
CID 135193177
N-(9-methyl-9-phenylfluoren-2-yl)-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-4-amine
CID 167177069
N-(9,9-diphenylfluoren-4-yl)-9,9-dimethyl-N-[4-(9-methylfluoren-9-yl)phenyl]fluoren-2-amine
CID 135193179
9-methyl-N-(9-methyl-9-phenylfluoren-4-yl)-9-phenyl-N-[4-(3-phenylphenyl)phenyl]fluoren-2-amine
CID 171453043
N-(9,9-dimethylfluoren-2-yl)-7-[3-(N-(9,9-dimethylfluoren-2-yl)anilino)phenyl]-N,9-diphenyl-9-(4-phenylphenyl)fluoren-4-amine
CID 163582433
N-[2-(9,9-diphenylfluoren-2-yl)phenyl]-9-methyl-9-phenyl-N-(3-phenylphenyl)fluoren-2-amine
CID 171453618
N-[2-(9,9-dimethylfluoren-4-yl)phenyl]-9-methyl-9-phenyl-N-[4-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 170135534
N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-N-[4-(3,5-diphenylphenyl)phenyl]-9,9-diphenylfluoren-4-amine
CID 126548483
N,N-bis(9-methyl-9-phenylfluoren-2-yl)-9,9'-spirobi[fluorene]-4-amine
CID 171453575

Frequently Asked Questions

What is the IUPAC name of N-(9,9-dimethylfluoren-4-yl)-N-[4-(9,9-diphenylfluoren-2-yl)phenyl]-9-methyl-9-phenylfluoren-2-amine?
The IUPAC name of N-(9,9-dimethylfluoren-4-yl)-N-[4-(9,9-diphenylfluoren-2-yl)phenyl]-9-methyl-9-phenylfluoren-2-amine (CID 171453735) is N-(9,9-dimethylfluoren-4-yl)-N-[4-(9,9-diphenylfluoren-2-yl)phenyl]-9-methyl-9-phenylfluoren-2-amine.
What is the SMILES notation for N-(9,9-dimethylfluoren-4-yl)-N-[4-(9,9-diphenylfluoren-2-yl)phenyl]-9-methyl-9-phenylfluoren-2-amine?
The canonical SMILES for N-(9,9-dimethylfluoren-4-yl)-N-[4-(9,9-diphenylfluoren-2-yl)phenyl]-9-methyl-9-phenylfluoren-2-amine is CC1(C)c2ccccc2-c2c(N(c3ccc(-c4ccc5c(c4)C(c4ccccc4)(c4ccccc4)c4ccccc4-5)cc3)c3ccc4c(c3)C(C)(c3ccccc3)c3ccccc3-4)cccc21.
What is the InChIKey of N-(9,9-dimethylfluoren-4-yl)-N-[4-(9,9-diphenylfluoren-2-yl)phenyl]-9-methyl-9-phenylfluoren-2-amine?
The InChIKey is VVUMKNSAIOTWSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C66H49N/c1-64(2)56-29-16-15-28-55(56)63-59(64)32-19-33-62(63)67(50-39-41-53-51-26-13-17-30-57(51)65(3,60(53)43-50)46-20-7-4-8-21-46)49-37-34-44(35-38-49)45-36-40-54-52-27-14-18-31-58(52)66(61(54)42-45,47-22-9-5-10-23-47)48-24-11-6-12-25-48/h4-43H,1-3H3.
What are the key properties of N-(9,9-dimethylfluoren-4-yl)-N-[4-(9,9-diphenylfluoren-2-yl)phenyl]-9-methyl-9-phenylfluoren-2-amine?
N-(9,9-dimethylfluoren-4-yl)-N-[4-(9,9-diphenylfluoren-2-yl)phenyl]-9-methyl-9-phenylfluoren-2-amine has a molecular weight of 856.13 g/mol, XLogP of 16.83, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(9,9-dimethylfluoren-4-yl)-N-[4-(9,9-diphenylfluoren-2-yl)phenyl]-9-methyl-9-phenylfluoren-2-amine is sourced from PubChem (CID 171453735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).