N-(9,9-dimethylfluoren-2-yl)-7-phenanthren-9-yl-N-(4-phenylphenyl)triphenylen-2-amine

C59H41N — CID 134464892

IUPACN-(9,9-dimethylfluoren-2-yl)-7-phenanthren-9-yl-N-(4-phenylphenyl)triphenylen-2-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc4c5ccc(-c6cc7ccccc7c7ccccc67)cc5c5ccccc5c4c3)cc21
InChIInChI=1S/C59H41N/c1-59(2)57-23-13-12-22-52(57)53-33-30-44(37-58(53)59)60(42-27-24-39(25-28-42)38-14-4-3-5-15-38)43-29-32-51-50-31-26-41(35-55(50)48-20-10-11-21-49(48)56(51)36-43)54-34-40-16-6-7-17-45(40)46-18-8-9-19-47(46)54/h3-37H,1-2H3
InChIKeyYFRUZZBLACCBQM-UHFFFAOYSA-N
MW763.98 g/mol
LogP16.56
Rot. Bonds5

About N-(9,9-dimethylfluoren-2-yl)-7-phenanthren-9-yl-N-(4-phenylphenyl)triphenylen-2-amine

N-(9,9-dimethylfluoren-2-yl)-7-phenanthren-9-yl-N-(4-phenylphenyl)triphenylen-2-amine (PubChem CID 134464892) has the molecular formula C59H41N and a molecular weight of 763.98 g/mol. Its IUPAC name is N-(9,9-dimethylfluoren-2-yl)-7-phenanthren-9-yl-N-(4-phenylphenyl)triphenylen-2-amine.

Molecular Properties

Compound NameN-(9,9-dimethylfluoren-2-yl)-7-phenanthren-9-yl-N-(4-phenylphenyl)triphenylen-2-amine
PubChem CID134464892
Molecular FormulaC59H41N
Molecular Weight763.98 g/mol
Exact Mass763.32
IUPAC NameN-(9,9-dimethylfluoren-2-yl)-7-phenanthren-9-yl-N-(4-phenylphenyl)triphenylen-2-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc4c5ccc(-c6cc7ccccc7c7ccccc67)cc5c5ccccc5c4c3)cc21
InChIInChI=1S/C59H41N/c1-59(2)57-23-13-12-22-52(57)53-33-30-44(37-58(53)59)60(42-27-24-39(25-28-42)38-14-4-3-5-15-38)43-29-32-51-50-31-26-41(35-55(50)48-20-10-11-21-49(48)56(51)36-43)54-34-40-16-6-7-17-45(40)46-18-8-9-19-47(46)54/h3-37H,1-2H3
InChIKeyYFRUZZBLACCBQM-UHFFFAOYSA-N
XLogP16.56
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500763.98
LogP ≤ 516.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze N-(9,9-dimethylfluoren-2-yl)-7-phenanthren-9-yl-N-(4-phenylphenyl)triphenylen-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-(9,9-dimethylfluoren-2-yl)-10-phenyl-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]phenanthren-3-amine
CID 118175587
10-(9,9-dimethylfluoren-2-yl)-N-phenyl-N-(4-phenylphenyl)phenanthren-2-amine
CID 177079830
9,9-dimethyl-N-(4-phenanthren-9-ylphenyl)-N-[4-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 155303624
9,9-dimethyl-N,N-bis(4-phenanthren-2-ylphenyl)fluoren-2-amine;9,9-dimethyl-N-(4-phenanthren-9-ylphenyl)-N-(4-phenylphenyl)fluoren-2-amine;9,9-dimethyl-N-(4-phenylphenyl)-N-(4-triphenylen-2-ylphenyl)fluoren-2-amine
CID 158135143
N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-7-phenanthren-9-yl-N-phenylfluoren-2-amine
CID 118500286
9,9-dimethyl-N-(4-phenanthren-9-ylphenyl)-N-[4-(2-phenylphenyl)phenyl]fluoren-2-amine
CID 163612523
9,9-dimethyl-N-(4-phenanthren-9-ylphenyl)-N-[4-(4-phenanthren-9-ylphenyl)phenyl]fluoren-2-amine
CID 166956448
9,9-dimethyl-N-[4-(2-phenanthren-9-ylphenyl)phenyl]-N-(4-phenylphenyl)fluoren-2-amine
CID 166566462
N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-9,9-dimethyl-7-(4-phenanthren-9-ylphenyl)-N-phenylfluoren-2-amine
CID 118500370
N-(9,9-dimethylfluoren-2-yl)-10-phenyl-N-[4-[4-(N-phenylanilino)phenyl]phenyl]phenanthren-3-amine;N-(9,9-dimethylfluoren-2-yl)-10-phenyl-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]phenanthren-3-amine;N,10-diphenyl-N-[4-[4-[4-(N-phenylanilino)phenyl]phenyl]phenyl]phenanthren-3-amine;N,10-diphenyl-N-[4-[4-[4-(N-(4-phenylphenyl)anilino)phenyl]phenyl]phenyl]phenanthren-3-amine;methane;N-[4-[4-(N-naphthalen-1-ylanilino)phenyl]phenyl]-N,10-diphenylphenanthren-3-amine
CID 158051801
N-(9,9-dimethyl-7-phenanthren-9-ylfluoren-2-yl)-N-(9,9-dimethyl-7-phenylfluoren-2-yl)-9,9-dimethyl-7-phenylfluoren-2-amine
CID 58050464
9,9-dimethyl-7-phenanthren-9-yl-N-(4-phenylphenyl)-N-[4-(3-phenylphenyl)phenyl]fluoren-2-amine
CID 58050458

Frequently Asked Questions

What is the IUPAC name of N-(9,9-dimethylfluoren-2-yl)-7-phenanthren-9-yl-N-(4-phenylphenyl)triphenylen-2-amine?
The IUPAC name of N-(9,9-dimethylfluoren-2-yl)-7-phenanthren-9-yl-N-(4-phenylphenyl)triphenylen-2-amine (CID 134464892) is N-(9,9-dimethylfluoren-2-yl)-7-phenanthren-9-yl-N-(4-phenylphenyl)triphenylen-2-amine.
What is the SMILES notation for N-(9,9-dimethylfluoren-2-yl)-7-phenanthren-9-yl-N-(4-phenylphenyl)triphenylen-2-amine?
The canonical SMILES for N-(9,9-dimethylfluoren-2-yl)-7-phenanthren-9-yl-N-(4-phenylphenyl)triphenylen-2-amine is CC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc4c5ccc(-c6cc7ccccc7c7ccccc67)cc5c5ccccc5c4c3)cc21.
What is the InChIKey of N-(9,9-dimethylfluoren-2-yl)-7-phenanthren-9-yl-N-(4-phenylphenyl)triphenylen-2-amine?
The InChIKey is YFRUZZBLACCBQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C59H41N/c1-59(2)57-23-13-12-22-52(57)53-33-30-44(37-58(53)59)60(42-27-24-39(25-28-42)38-14-4-3-5-15-38)43-29-32-51-50-31-26-41(35-55(50)48-20-10-11-21-49(48)56(51)36-43)54-34-40-16-6-7-17-45(40)46-18-8-9-19-47(46)54/h3-37H,1-2H3.
What are the key properties of N-(9,9-dimethylfluoren-2-yl)-7-phenanthren-9-yl-N-(4-phenylphenyl)triphenylen-2-amine?
N-(9,9-dimethylfluoren-2-yl)-7-phenanthren-9-yl-N-(4-phenylphenyl)triphenylen-2-amine has a molecular weight of 763.98 g/mol, XLogP of 16.56, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(9,9-dimethylfluoren-2-yl)-7-phenanthren-9-yl-N-(4-phenylphenyl)triphenylen-2-amine is sourced from PubChem (CID 134464892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).