N-[2-(9,9-dimethylfluoren-2-yl)phenyl]-N-[2-(9,9-dimethylfluoren-4-yl)phenyl]-9,9-diethylfluoren-2-amine

C59H51N — CID 170143764

IUPACN-[2-(9,9-dimethylfluoren-2-yl)phenyl]-N-[2-(9,9-dimethylfluoren-4-yl)phenyl]-9,9-diethylfluoren-2-amine
SMILESCCC1(CC)c2ccccc2-c2ccc(N(c3ccccc3-c3ccc4c(c3)C(C)(C)c3ccccc3-4)c3ccccc3-c3cccc4c3-c3ccccc3C4(C)C)cc21
InChIInChI=1S/C59H51N/c1-7-59(8-2)50-28-16-10-22-42(50)44-35-33-39(37-53(44)59)60(54-30-17-12-20-40(54)38-32-34-43-41-21-9-14-26-48(41)58(5,6)52(43)36-38)55-31-18-13-23-45(55)46-25-19-29-51-56(46)47-24-11-15-27-49(47)57(51,3)4/h9-37H,7-8H2,1-6H3
InChIKeyJCYQVHJAOBXPPF-UHFFFAOYSA-N
MW774.06 g/mol
LogP16.19
Rot. Bonds7

About N-[2-(9,9-dimethylfluoren-2-yl)phenyl]-N-[2-(9,9-dimethylfluoren-4-yl)phenyl]-9,9-diethylfluoren-2-amine

N-[2-(9,9-dimethylfluoren-2-yl)phenyl]-N-[2-(9,9-dimethylfluoren-4-yl)phenyl]-9,9-diethylfluoren-2-amine (PubChem CID 170143764) has the molecular formula C59H51N and a molecular weight of 774.06 g/mol. Its IUPAC name is N-[2-(9,9-dimethylfluoren-2-yl)phenyl]-N-[2-(9,9-dimethylfluoren-4-yl)phenyl]-9,9-diethylfluoren-2-amine.

Molecular Properties

Compound NameN-[2-(9,9-dimethylfluoren-2-yl)phenyl]-N-[2-(9,9-dimethylfluoren-4-yl)phenyl]-9,9-diethylfluoren-2-amine
PubChem CID170143764
Molecular FormulaC59H51N
Molecular Weight774.06 g/mol
Exact Mass773.40
IUPAC NameN-[2-(9,9-dimethylfluoren-2-yl)phenyl]-N-[2-(9,9-dimethylfluoren-4-yl)phenyl]-9,9-diethylfluoren-2-amine
SMILESCCC1(CC)c2ccccc2-c2ccc(N(c3ccccc3-c3ccc4c(c3)C(C)(C)c3ccccc3-4)c3ccccc3-c3cccc4c3-c3ccccc3C4(C)C)cc21
InChIInChI=1S/C59H51N/c1-7-59(8-2)50-28-16-10-22-42(50)44-35-33-39(37-53(44)59)60(54-30-17-12-20-40(54)38-32-34-43-41-21-9-14-26-48(41)58(5,6)52(43)36-38)55-31-18-13-23-45(55)46-25-19-29-51-56(46)47-24-11-15-27-49(47)57(51,3)4/h9-37H,7-8H2,1-6H3
InChIKeyJCYQVHJAOBXPPF-UHFFFAOYSA-N
XLogP16.19
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500774.06
LogP ≤ 516.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze N-[2-(9,9-dimethylfluoren-2-yl)phenyl]-N-[2-(9,9-dimethylfluoren-4-yl)phenyl]-9,9-diethylfluoren-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[2-(9,9-dimethylfluoren-2-yl)phenyl]-N-[2-(9,9-dimethylfluoren-4-yl)phenyl]-3,4-diphenylaniline
CID 170142171
N-[2-(9,9-dimethylfluoren-4-yl)phenyl]-N-[4-(9,9-dimethylfluoren-1-yl)phenyl]-9,9-diethylfluoren-3-amine
CID 170143663
2-(9,9-dimethylfluoren-2-yl)-N-[2-(9,9-dimethylfluoren-4-yl)phenyl]-N-(3-phenylphenyl)aniline
CID 170142044
N-[2-(9,9-diethylfluoren-4-yl)phenyl]-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine
CID 170140987
N-[2-(9,9-dimethylfluoren-4-yl)phenyl]-N-[3-(9,9-dimethylfluoren-2-yl)phenyl]-9,9-dimethylfluoren-4-amine
CID 170143527
N-[2-(9,9-diethylfluoren-4-yl)phenyl]-9-methyl-9-phenyl-N-(4-phenylphenyl)fluoren-2-amine
CID 170140988
N-[2-(9,9-dimethylfluoren-2-yl)phenyl]-N-[2-(9,9-dimethylfluoren-4-yl)phenyl]spiro[cyclopentane-1,9'-fluorene]-3'-amine
CID 170143737
N-[2-(9,9-dimethylfluoren-4-yl)phenyl]-N-[3-(9,9-dimethylfluoren-2-yl)phenyl]-9,9-dimethylfluoren-3-amine
CID 170143467
N-[2-(9,9-dimethylfluoren-4-yl)phenyl]-9,9-dimethyl-N-naphthalen-2-ylfluoren-2-amine
CID 170142242
N-[2-(11,11-dimethylbenzo[b]fluoren-4-yl)phenyl]-N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-2-phenylaniline
CID 170143912
N-[2-(2',7'-ditert-butyl-9,9'-spirobi[fluorene]-2-yl)phenyl]-N-[2-(9,9-dimethylfluoren-4-yl)phenyl]-9,9-dimethylfluoren-3-amine
CID 170142627
N-[2-(9,9-dimethylfluoren-4-yl)phenyl]-9-methyl-9-phenyl-N-[4-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 170135534

Frequently Asked Questions

What is the IUPAC name of N-[2-(9,9-dimethylfluoren-2-yl)phenyl]-N-[2-(9,9-dimethylfluoren-4-yl)phenyl]-9,9-diethylfluoren-2-amine?
The IUPAC name of N-[2-(9,9-dimethylfluoren-2-yl)phenyl]-N-[2-(9,9-dimethylfluoren-4-yl)phenyl]-9,9-diethylfluoren-2-amine (CID 170143764) is N-[2-(9,9-dimethylfluoren-2-yl)phenyl]-N-[2-(9,9-dimethylfluoren-4-yl)phenyl]-9,9-diethylfluoren-2-amine.
What is the SMILES notation for N-[2-(9,9-dimethylfluoren-2-yl)phenyl]-N-[2-(9,9-dimethylfluoren-4-yl)phenyl]-9,9-diethylfluoren-2-amine?
The canonical SMILES for N-[2-(9,9-dimethylfluoren-2-yl)phenyl]-N-[2-(9,9-dimethylfluoren-4-yl)phenyl]-9,9-diethylfluoren-2-amine is CCC1(CC)c2ccccc2-c2ccc(N(c3ccccc3-c3ccc4c(c3)C(C)(C)c3ccccc3-4)c3ccccc3-c3cccc4c3-c3ccccc3C4(C)C)cc21.
What is the InChIKey of N-[2-(9,9-dimethylfluoren-2-yl)phenyl]-N-[2-(9,9-dimethylfluoren-4-yl)phenyl]-9,9-diethylfluoren-2-amine?
The InChIKey is JCYQVHJAOBXPPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C59H51N/c1-7-59(8-2)50-28-16-10-22-42(50)44-35-33-39(37-53(44)59)60(54-30-17-12-20-40(54)38-32-34-43-41-21-9-14-26-48(41)58(5,6)52(43)36-38)55-31-18-13-23-45(55)46-25-19-29-51-56(46)47-24-11-15-27-49(47)57(51,3)4/h9-37H,7-8H2,1-6H3.
What are the key properties of N-[2-(9,9-dimethylfluoren-2-yl)phenyl]-N-[2-(9,9-dimethylfluoren-4-yl)phenyl]-9,9-diethylfluoren-2-amine?
N-[2-(9,9-dimethylfluoren-2-yl)phenyl]-N-[2-(9,9-dimethylfluoren-4-yl)phenyl]-9,9-diethylfluoren-2-amine has a molecular weight of 774.06 g/mol, XLogP of 16.19, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(9,9-dimethylfluoren-2-yl)phenyl]-N-[2-(9,9-dimethylfluoren-4-yl)phenyl]-9,9-diethylfluoren-2-amine is sourced from PubChem (CID 170143764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).