N-[4-[[[[amino(phenyl)methyl]amino]-benzylamino]methyl]phenyl]-3,9,9-triphenylfluoren-2-amine

C52H44N4 — CID 121356041

IUPACN-[4-[[[[amino(phenyl)methyl]amino]-benzylamino]methyl]phenyl]-3,9,9-triphenylfluoren-2-amine
SMILESNC(NN(Cc1ccccc1)Cc1ccc(Nc2cc3c(cc2-c2ccccc2)-c2ccccc2C3(c2ccccc2)c2ccccc2)cc1)c1ccccc1
InChIInChI=1S/C52H44N4/c53-51(41-22-10-3-11-23-41)55-56(36-38-18-6-1-7-19-38)37-39-30-32-44(33-31-39)54-50-35-49-47(34-46(50)40-20-8-2-9-21-40)45-28-16-17-29-48(45)52(49,42-24-12-4-13-25-42)43-26-14-5-15-27-43/h1-35,51,54-55H,36-37,53H2
InChIKeyOGWYDBXWIUCAHT-UHFFFAOYSA-N
MW724.95 g/mol
LogP11.62
Rot. Bonds12

About N-[4-[[[[amino(phenyl)methyl]amino]-benzylamino]methyl]phenyl]-3,9,9-triphenylfluoren-2-amine

N-[4-[[[[amino(phenyl)methyl]amino]-benzylamino]methyl]phenyl]-3,9,9-triphenylfluoren-2-amine (PubChem CID 121356041) has the molecular formula C52H44N4 and a molecular weight of 724.95 g/mol. Its IUPAC name is N-[4-[[[[amino(phenyl)methyl]amino]-benzylamino]methyl]phenyl]-3,9,9-triphenylfluoren-2-amine.

Molecular Properties

Compound NameN-[4-[[[[amino(phenyl)methyl]amino]-benzylamino]methyl]phenyl]-3,9,9-triphenylfluoren-2-amine
PubChem CID121356041
Molecular FormulaC52H44N4
Molecular Weight724.95 g/mol
Exact Mass724.36
IUPAC NameN-[4-[[[[amino(phenyl)methyl]amino]-benzylamino]methyl]phenyl]-3,9,9-triphenylfluoren-2-amine
SMILESNC(NN(Cc1ccccc1)Cc1ccc(Nc2cc3c(cc2-c2ccccc2)-c2ccccc2C3(c2ccccc2)c2ccccc2)cc1)c1ccccc1
InChIInChI=1S/C52H44N4/c53-51(41-22-10-3-11-23-41)55-56(36-38-18-6-1-7-19-38)37-39-30-32-44(33-31-39)54-50-35-49-47(34-46(50)40-20-8-2-9-21-40)45-28-16-17-29-48(45)52(49,42-24-12-4-13-25-42)43-26-14-5-15-27-43/h1-35,51,54-55H,36-37,53H2
InChIKeyOGWYDBXWIUCAHT-UHFFFAOYSA-N
XLogP11.62
TPSA53.32 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500724.95
LogP ≤ 511.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-[4-[[[[amino(phenyl)methyl]amino]-benzylamino]methyl]phenyl]-3,9,9-triphenylfluoren-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-[4-[[[[amino(phenyl)methyl]amino]-benzylamino]methyl]phenyl]-2-phenyl-5-(6-phenyldibenzothiophen-4-yl)aniline
CID 118534499
N-[3-[(benzylamino)methyl]phenyl]-9,9-diphenyl-2-(4-phenylphenyl)fluoren-3-amine
CID 121291558
9,9-diphenyl-N-(2-phenylphenyl)fluoren-3-amine
CID 155297414
3-[2-[4-[[[[amino(phenyl)methyl]amino]-benzylamino]methyl]anilino]-5-dibenzofuran-4-ylphenyl]benzonitrile
CID 121322601
N-(4-phenylphenyl)-3'-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-9,9'-spirobi[fluorene]-2'-amine
CID 170449602
N-phenyl-2-[4-(9-phenylfluoren-9-yl)phenyl]aniline
CID 165158428
4-phenyl-N-[4-[2-(9-phenylfluoren-9-yl)phenyl]phenyl]aniline
CID 165158405
N-(9,9-diphenylfluoren-3-yl)-9,9-diphenylfluoren-2-amine
CID 121423904
N-(4-phenylphenyl)-3'-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-1-yl)-9,9'-spirobi[fluorene]-2'-amine
CID 170449621
4-phenyl-N'-[C-phenyl-N-[[3-[(2,9,9-triphenylfluoren-3-yl)amino]phenyl]methyl]carbonimidoyl]benzenecarboximidamide
CID 121323520
N-naphthalen-1-yl-9,9-diphenylfluoren-3-amine
CID 170993392
2-(1,13-diphenyl-13-pentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaenyl)-N-(4-phenylphenyl)aniline
CID 146414017

Frequently Asked Questions

What is the IUPAC name of N-[4-[[[[amino(phenyl)methyl]amino]-benzylamino]methyl]phenyl]-3,9,9-triphenylfluoren-2-amine?
The IUPAC name of N-[4-[[[[amino(phenyl)methyl]amino]-benzylamino]methyl]phenyl]-3,9,9-triphenylfluoren-2-amine (CID 121356041) is N-[4-[[[[amino(phenyl)methyl]amino]-benzylamino]methyl]phenyl]-3,9,9-triphenylfluoren-2-amine.
What is the SMILES notation for N-[4-[[[[amino(phenyl)methyl]amino]-benzylamino]methyl]phenyl]-3,9,9-triphenylfluoren-2-amine?
The canonical SMILES for N-[4-[[[[amino(phenyl)methyl]amino]-benzylamino]methyl]phenyl]-3,9,9-triphenylfluoren-2-amine is NC(NN(Cc1ccccc1)Cc1ccc(Nc2cc3c(cc2-c2ccccc2)-c2ccccc2C3(c2ccccc2)c2ccccc2)cc1)c1ccccc1.
What is the InChIKey of N-[4-[[[[amino(phenyl)methyl]amino]-benzylamino]methyl]phenyl]-3,9,9-triphenylfluoren-2-amine?
The InChIKey is OGWYDBXWIUCAHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H44N4/c53-51(41-22-10-3-11-23-41)55-56(36-38-18-6-1-7-19-38)37-39-30-32-44(33-31-39)54-50-35-49-47(34-46(50)40-20-8-2-9-21-40)45-28-16-17-29-48(45)52(49,42-24-12-4-13-25-42)43-26-14-5-15-27-43/h1-35,51,54-55H,36-37,53H2.
What are the key properties of N-[4-[[[[amino(phenyl)methyl]amino]-benzylamino]methyl]phenyl]-3,9,9-triphenylfluoren-2-amine?
N-[4-[[[[amino(phenyl)methyl]amino]-benzylamino]methyl]phenyl]-3,9,9-triphenylfluoren-2-amine has a molecular weight of 724.95 g/mol, XLogP of 11.62, 12 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[[[amino(phenyl)methyl]amino]-benzylamino]methyl]phenyl]-3,9,9-triphenylfluoren-2-amine is sourced from PubChem (CID 121356041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).