N-[2-(9,9-dimethylfluoren-4-yl)phenyl]-N-(9,9-diphenylfluoren-4-yl)-9,9-dimethylfluoren-3-amine

C61H47N — CID 170143599

IUPACN-[2-(9,9-dimethylfluoren-4-yl)phenyl]-N-(9,9-diphenylfluoren-4-yl)-9,9-dimethylfluoren-3-amine
SMILESCC1(C)c2ccccc2-c2cc(N(c3ccccc3-c3cccc4c3-c3ccccc3C4(C)C)c3cccc4c3-c3ccccc3C4(c3ccccc3)c3ccccc3)ccc21
InChIInChI=1S/C61H47N/c1-59(2)49-30-15-11-25-43(49)48-39-42(37-38-51(48)59)62(55-35-18-14-26-44(55)45-29-19-33-53-57(45)46-27-12-16-31-50(46)60(53,3)4)56-36-20-34-54-58(56)47-28-13-17-32-52(47)61(54,40-21-7-5-8-22-40)41-23-9-6-10-24-41/h5-39H,1-4H3
InChIKeyVIPPUWWAMRGYSA-UHFFFAOYSA-N
MW794.05 g/mol
LogP15.80
Rot. Bonds6

About N-[2-(9,9-dimethylfluoren-4-yl)phenyl]-N-(9,9-diphenylfluoren-4-yl)-9,9-dimethylfluoren-3-amine

N-[2-(9,9-dimethylfluoren-4-yl)phenyl]-N-(9,9-diphenylfluoren-4-yl)-9,9-dimethylfluoren-3-amine (PubChem CID 170143599) has the molecular formula C61H47N and a molecular weight of 794.05 g/mol. Its IUPAC name is N-[2-(9,9-dimethylfluoren-4-yl)phenyl]-N-(9,9-diphenylfluoren-4-yl)-9,9-dimethylfluoren-3-amine.

Molecular Properties

Compound NameN-[2-(9,9-dimethylfluoren-4-yl)phenyl]-N-(9,9-diphenylfluoren-4-yl)-9,9-dimethylfluoren-3-amine
PubChem CID170143599
Molecular FormulaC61H47N
Molecular Weight794.05 g/mol
Exact Mass793.37
IUPAC NameN-[2-(9,9-dimethylfluoren-4-yl)phenyl]-N-(9,9-diphenylfluoren-4-yl)-9,9-dimethylfluoren-3-amine
SMILESCC1(C)c2ccccc2-c2cc(N(c3ccccc3-c3cccc4c3-c3ccccc3C4(C)C)c3cccc4c3-c3ccccc3C4(c3ccccc3)c3ccccc3)ccc21
InChIInChI=1S/C61H47N/c1-59(2)49-30-15-11-25-43(49)48-39-42(37-38-51(48)59)62(55-35-18-14-26-44(55)45-29-19-33-53-57(45)46-27-12-16-31-50(46)60(53,3)4)56-36-20-34-54-58(56)47-28-13-17-32-52(47)61(54,40-21-7-5-8-22-40)41-23-9-6-10-24-41/h5-39H,1-4H3
InChIKeyVIPPUWWAMRGYSA-UHFFFAOYSA-N
XLogP15.80
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500794.05
LogP ≤ 515.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N-(9,9-dimethylfluoren-4-yl)-9,9-diphenyl-N-(2-phenylphenyl)fluoren-3-amine
CID 134487997
N-[2-(9,9-dimethylfluoren-4-yl)phenyl]-N-[3-(9,9-dimethylfluoren-3-yl)phenyl]-9,9-diphenylfluoren-4-amine
CID 170143598
N-(9,9-dimethylfluoren-2-yl)-N-(9,9-diphenylfluoren-3-yl)-9,9'-spirobi[fluorene]-4-amine
CID 121423710
N-(9,9-dimethylfluoren-2-yl)-N-(9,9-diphenylfluoren-4-yl)-9,9'-spirobi[fluorene]-3-amine
CID 121423487
N-(9,9-diphenylfluoren-3-yl)-N-(9,9-diphenylfluoren-4-yl)-9,9-diphenylfluoren-3-amine
CID 121423447
N-(9,9-dimethylfluoren-3-yl)-N-(9,9-diphenylfluoren-3-yl)-9,9-dimethylfluoren-3-amine;N-(9,9-dimethylfluoren-4-yl)-N-(9,9-diphenylfluoren-3-yl)-9,9-dimethylfluoren-3-amine;N-(9,9-diphenylfluoren-3-yl)-9,9-dimethyl-N-[4-(4-phenylphenyl)phenyl]fluoren-3-amine;N-(9,9-diphenylfluoren-3-yl)-N-(9,9-diphenylfluoren-4-yl)-9,9-dimethylfluoren-3-amine
CID 158283164
N-(9,9-dimethylfluoren-3-yl)-N-(9,9-diphenylfluoren-3-yl)-9,9-dimethylfluoren-3-amine;N-(9,9-diphenylfluoren-3-yl)-9,9-dimethyl-N-[2-(4-phenylphenyl)phenyl]fluoren-3-amine;N-(9,9-diphenylfluoren-3-yl)-9,9-dimethyl-N-[4-(4-phenylphenyl)phenyl]fluoren-3-amine;N-(9,9-diphenylfluoren-3-yl)-N-(9,9-diphenylfluoren-4-yl)-9,9-dimethylfluoren-3-amine
CID 160891941
2-(9,9-dimethylfluoren-4-yl)-N-[4-(9,9-diphenylfluoren-3-yl)phenyl]-N-(4-phenylphenyl)aniline
CID 170136504
N-[2-(9,9-dimethylfluoren-4-yl)phenyl]-N-[4-(9,9-diphenylfluoren-3-yl)phenyl]-2-phenylaniline
CID 170136624
2-(9,9-dimethylfluoren-4-yl)-N-[3-(9,9-dimethylfluoren-3-yl)phenyl]-N-[4-(9,9-diphenylfluoren-3-yl)phenyl]aniline
CID 170142523
N-(9,9-diphenylfluoren-4-yl)-9,9-dimethyl-N-(2-phenylphenyl)fluoren-2-amine
CID 126548400
N-[2-(9,9-dimethylfluoren-4-yl)phenyl]-N-[4-(9,9-dimethylfluoren-3-yl)phenyl]-9,9'-spirobi[fluorene]-4-amine
CID 170143670

Frequently Asked Questions

What is the IUPAC name of N-[2-(9,9-dimethylfluoren-4-yl)phenyl]-N-(9,9-diphenylfluoren-4-yl)-9,9-dimethylfluoren-3-amine?
The IUPAC name of N-[2-(9,9-dimethylfluoren-4-yl)phenyl]-N-(9,9-diphenylfluoren-4-yl)-9,9-dimethylfluoren-3-amine (CID 170143599) is N-[2-(9,9-dimethylfluoren-4-yl)phenyl]-N-(9,9-diphenylfluoren-4-yl)-9,9-dimethylfluoren-3-amine.
What is the SMILES notation for N-[2-(9,9-dimethylfluoren-4-yl)phenyl]-N-(9,9-diphenylfluoren-4-yl)-9,9-dimethylfluoren-3-amine?
The canonical SMILES for N-[2-(9,9-dimethylfluoren-4-yl)phenyl]-N-(9,9-diphenylfluoren-4-yl)-9,9-dimethylfluoren-3-amine is CC1(C)c2ccccc2-c2cc(N(c3ccccc3-c3cccc4c3-c3ccccc3C4(C)C)c3cccc4c3-c3ccccc3C4(c3ccccc3)c3ccccc3)ccc21.
What is the InChIKey of N-[2-(9,9-dimethylfluoren-4-yl)phenyl]-N-(9,9-diphenylfluoren-4-yl)-9,9-dimethylfluoren-3-amine?
The InChIKey is VIPPUWWAMRGYSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C61H47N/c1-59(2)49-30-15-11-25-43(49)48-39-42(37-38-51(48)59)62(55-35-18-14-26-44(55)45-29-19-33-53-57(45)46-27-12-16-31-50(46)60(53,3)4)56-36-20-34-54-58(56)47-28-13-17-32-52(47)61(54,40-21-7-5-8-22-40)41-23-9-6-10-24-41/h5-39H,1-4H3.
What are the key properties of N-[2-(9,9-dimethylfluoren-4-yl)phenyl]-N-(9,9-diphenylfluoren-4-yl)-9,9-dimethylfluoren-3-amine?
N-[2-(9,9-dimethylfluoren-4-yl)phenyl]-N-(9,9-diphenylfluoren-4-yl)-9,9-dimethylfluoren-3-amine has a molecular weight of 794.05 g/mol, XLogP of 15.80, 6 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-4-yl)phenyl]-N-(9,9-diphenylfluoren-4-yl)-9,9-dimethylfluoren-3-amine is sourced from PubChem (CID 170143599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).