N-[3-[3-(9-methylfluoren-9-yl)phenyl]phenyl]-N,9,9-triphenylfluoren-4-amine

C57H41N — CID 169293099

IUPACN-[3-[3-(9-methylfluoren-9-yl)phenyl]phenyl]-N,9,9-triphenylfluoren-4-amine
SMILESCC1(c2cccc(-c3cccc(N(c4ccccc4)c4cccc5c4-c4ccccc4C5(c4ccccc4)c4ccccc4)c3)c2)c2ccccc2-c2ccccc21
InChIInChI=1S/C57H41N/c1-56(50-33-14-11-30-47(50)48-31-12-15-34-51(48)56)44-26-17-20-40(38-44)41-21-18-29-46(39-41)58(45-27-9-4-10-28-45)54-37-19-36-53-55(54)49-32-13-16-35-52(49)57(53,42-22-5-2-6-23-42)43-24-7-3-8-25-43/h2-39H,1H3
InChIKeySPQLOOFRGXCHCO-UHFFFAOYSA-N
MW739.96 g/mol
LogP14.52
Rot. Bonds7

About N-[3-[3-(9-methylfluoren-9-yl)phenyl]phenyl]-N,9,9-triphenylfluoren-4-amine

N-[3-[3-(9-methylfluoren-9-yl)phenyl]phenyl]-N,9,9-triphenylfluoren-4-amine (PubChem CID 169293099) has the molecular formula C57H41N and a molecular weight of 739.96 g/mol. Its IUPAC name is N-[3-[3-(9-methylfluoren-9-yl)phenyl]phenyl]-N,9,9-triphenylfluoren-4-amine.

Molecular Properties

Compound NameN-[3-[3-(9-methylfluoren-9-yl)phenyl]phenyl]-N,9,9-triphenylfluoren-4-amine
PubChem CID169293099
Molecular FormulaC57H41N
Molecular Weight739.96 g/mol
Exact Mass739.32
IUPAC NameN-[3-[3-(9-methylfluoren-9-yl)phenyl]phenyl]-N,9,9-triphenylfluoren-4-amine
SMILESCC1(c2cccc(-c3cccc(N(c4ccccc4)c4cccc5c4-c4ccccc4C5(c4ccccc4)c4ccccc4)c3)c2)c2ccccc2-c2ccccc21
InChIInChI=1S/C57H41N/c1-56(50-33-14-11-30-47(50)48-31-12-15-34-51(48)56)44-26-17-20-40(38-44)41-21-18-29-46(39-41)58(45-27-9-4-10-28-45)54-37-19-36-53-55(54)49-32-13-16-35-52(49)57(53,42-22-5-2-6-23-42)43-24-7-3-8-25-43/h2-39H,1H3
InChIKeySPQLOOFRGXCHCO-UHFFFAOYSA-N
XLogP14.52
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500739.96
LogP ≤ 514.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze N-[3-[3-(9-methylfluoren-9-yl)phenyl]phenyl]-N,9,9-triphenylfluoren-4-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-(9,9-diphenylfluoren-4-yl)-N-[4-(9,9-diphenylfluoren-2-yl)phenyl]-9-methyl-9-phenylfluoren-2-amine
CID 171453500
N-(9,9-diphenylfluoren-4-yl)-9,9-dimethyl-N-[3-(9-methyl-9-phenylfluoren-4-yl)phenyl]fluoren-2-amine
CID 135193193
N-[4-(9,9-diphenylfluoren-4-yl)phenyl]-9,9-dimethyl-N-(3-phenylphenyl)fluoren-4-amine
CID 118146121
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
N-(9,9-diphenylfluoren-4-yl)-9,9-diphenyl-N-[3-(2-phenylphenyl)phenyl]fluoren-2-amine;N-(9,9-diphenylfluoren-4-yl)-9,9-diphenyl-N-[3-(3-phenylphenyl)phenyl]fluoren-2-amine;N-(9,9-diphenylfluoren-4-yl)-9,9-diphenyl-N-[3-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 159700387
N-(9-methyl-9-phenylfluoren-4-yl)-N-phenyl-9,9'-spirobi[fluorene]-4-amine
CID 135251639
9,9-diphenyl-N-[4-(9-phenylfluoren-9-yl)phenyl]-N-[4-(2-phenylphenyl)phenyl]fluoren-4-amine
CID 121464379
N,N-bis(9-methyl-9-phenylfluoren-2-yl)-9,9'-spirobi[fluorene]-4-amine
CID 171453575
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)-7-[3-(N-(9,9-dimethylfluoren-2-yl)anilino)phenyl]-N,9-diphenyl-9-(4-phenylphenyl)fluoren-4-amine
CID 163582433
N-(9,9-dimethylfluoren-4-yl)-N-[4-(9,9-diphenylfluoren-2-yl)phenyl]-9-methyl-9-phenylfluoren-2-amine
CID 171453735

Frequently Asked Questions

What is the IUPAC name of N-[3-[3-(9-methylfluoren-9-yl)phenyl]phenyl]-N,9,9-triphenylfluoren-4-amine?
The IUPAC name of N-[3-[3-(9-methylfluoren-9-yl)phenyl]phenyl]-N,9,9-triphenylfluoren-4-amine (CID 169293099) is N-[3-[3-(9-methylfluoren-9-yl)phenyl]phenyl]-N,9,9-triphenylfluoren-4-amine.
What is the SMILES notation for N-[3-[3-(9-methylfluoren-9-yl)phenyl]phenyl]-N,9,9-triphenylfluoren-4-amine?
The canonical SMILES for N-[3-[3-(9-methylfluoren-9-yl)phenyl]phenyl]-N,9,9-triphenylfluoren-4-amine is CC1(c2cccc(-c3cccc(N(c4ccccc4)c4cccc5c4-c4ccccc4C5(c4ccccc4)c4ccccc4)c3)c2)c2ccccc2-c2ccccc21.
What is the InChIKey of N-[3-[3-(9-methylfluoren-9-yl)phenyl]phenyl]-N,9,9-triphenylfluoren-4-amine?
The InChIKey is SPQLOOFRGXCHCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H41N/c1-56(50-33-14-11-30-47(50)48-31-12-15-34-51(48)56)44-26-17-20-40(38-44)41-21-18-29-46(39-41)58(45-27-9-4-10-28-45)54-37-19-36-53-55(54)49-32-13-16-35-52(49)57(53,42-22-5-2-6-23-42)43-24-7-3-8-25-43/h2-39H,1H3.
What are the key properties of N-[3-[3-(9-methylfluoren-9-yl)phenyl]phenyl]-N,9,9-triphenylfluoren-4-amine?
N-[3-[3-(9-methylfluoren-9-yl)phenyl]phenyl]-N,9,9-triphenylfluoren-4-amine has a molecular weight of 739.96 g/mol, XLogP of 14.52, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[3-(9-methylfluoren-9-yl)phenyl]phenyl]-N,9,9-triphenylfluoren-4-amine is sourced from PubChem (CID 169293099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).