N-(3,5-diphenylphenyl)-9,9-dimethyl-N-(2,3,5,6-tetradeuterio-4-phenanthren-3-ylphenyl)fluoren-2-amine

C53H39N — CID 171452807

IUPACN-(3,5-diphenylphenyl)-9,9-dimethyl-N-(2,3,5,6-tetradeuterio-4-phenanthren-3-ylphenyl)fluoren-2-amine
SMILES[2H]c1c([2H])c(N(c2cc(-c3ccccc3)cc(-c3ccccc3)c2)c2ccc3c(c2)C(C)(C)c2ccccc2-3)c([2H])c([2H])c1-c1ccc2ccc3ccccc3c2c1
InChIInChI=1S/C53H39N/c1-53(2)51-20-12-11-19-48(51)49-30-29-45(35-52(49)53)54(46-32-42(36-13-5-3-6-14-36)31-43(33-46)37-15-7-4-8-16-37)44-27-25-38(26-28-44)41-24-23-40-22-21-39-17-9-10-18-47(39)50(40)34-41/h3-35H,1-2H3/i25D,26D,27D,28D
InChIKeyBYPKZKTUFBMJPI-VJERBKOKSA-N
MW693.93 g/mol
LogP14.77
Rot. Bonds6

About N-(3,5-diphenylphenyl)-9,9-dimethyl-N-(2,3,5,6-tetradeuterio-4-phenanthren-3-ylphenyl)fluoren-2-amine

N-(3,5-diphenylphenyl)-9,9-dimethyl-N-(2,3,5,6-tetradeuterio-4-phenanthren-3-ylphenyl)fluoren-2-amine (PubChem CID 171452807) has the molecular formula C53H39N and a molecular weight of 693.93 g/mol. Its IUPAC name is N-(3,5-diphenylphenyl)-9,9-dimethyl-N-(2,3,5,6-tetradeuterio-4-phenanthren-3-ylphenyl)fluoren-2-amine.

Molecular Properties

Compound NameN-(3,5-diphenylphenyl)-9,9-dimethyl-N-(2,3,5,6-tetradeuterio-4-phenanthren-3-ylphenyl)fluoren-2-amine
PubChem CID171452807
Molecular FormulaC53H39N
Molecular Weight693.93 g/mol
Exact Mass693.33
IUPAC NameN-(3,5-diphenylphenyl)-9,9-dimethyl-N-(2,3,5,6-tetradeuterio-4-phenanthren-3-ylphenyl)fluoren-2-amine
SMILES[2H]c1c([2H])c(N(c2cc(-c3ccccc3)cc(-c3ccccc3)c2)c2ccc3c(c2)C(C)(C)c2ccccc2-3)c([2H])c([2H])c1-c1ccc2ccc3ccccc3c2c1
InChIInChI=1S/C53H39N/c1-53(2)51-20-12-11-19-48(51)49-30-29-45(35-52(49)53)54(46-32-42(36-13-5-3-6-14-36)31-43(33-46)37-15-7-4-8-16-37)44-27-25-38(26-28-44)41-24-23-40-22-21-39-17-9-10-18-47(39)50(40)34-41/h3-35H,1-2H3/i25D,26D,27D,28D
InChIKeyBYPKZKTUFBMJPI-VJERBKOKSA-N
XLogP14.77
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500693.93
LogP ≤ 514.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze N-(3,5-diphenylphenyl)-9,9-dimethyl-N-(2,3,5,6-tetradeuterio-4-phenanthren-3-ylphenyl)fluoren-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

9,9-dimethyl-N-[2,3,5,6-tetradeuterio-4-(3-naphthalen-2-ylphenyl)phenyl]-N-[2,3,5,6-tetradeuterio-4-(3-phenylphenyl)phenyl]fluoren-2-amine
CID 171451946
9,9-dimethyl-N,N-bis(4-phenanthren-3-ylphenyl)fluoren-2-amine
CID 142614599
9,9-dimethyl-N-(3-naphthalen-2-ylphenyl)-N-(2,3,5,6-tetradeuterio-4-phenylphenyl)fluoren-2-amine
CID 171452515
9,9-dimethyl-N-(4-naphthalen-1-ylphenyl)-N-[3-(6-phenylphenanthren-3-yl)phenyl]fluoren-2-amine
CID 138743065
N-[4-[4-(N-(3,5-diphenylphenyl)-4-phenylanilino)phenyl]phenyl]-9,9-dimethyl-N-naphthalen-1-ylfluoren-2-amine
CID 59861267
9,9-dimethyl-N-[2,3,5,6-tetradeuterio-4-(3,5-diphenylphenyl)phenyl]-N-(2,3,4,6-tetradeuterio-5-naphthalen-1-ylphenyl)fluoren-2-amine
CID 171451632
9,9-dimethyl-N-phenyl-N-[4-[4-[2,3,5,6-tetradeuterio-4-(N-(9,9-dimethylfluoren-2-yl)anilino)phenyl]phenyl]phenyl]fluoren-2-amine
CID 163994090
3-N-(9,9-dimethylfluoren-2-yl)-1-N,1-N,3-N-triphenyl-5-(8-phenylnaphthalen-2-yl)benzene-1,3-diamine
CID 177286700
N-(9,9-dimethylfluoren-2-yl)-N-(3-phenylphenyl)chrysen-2-amine
CID 170139798
9,9-dimethyl-N-[2,3,5,6-tetradeuterio-4-(3-naphthalen-2-ylphenyl)phenyl]-N-[2,3,5,6-tetradeuterio-4-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]phenyl]fluoren-2-amine
CID 171452097
N-(4-chrysen-3-ylphenyl)-9,9-dimethyl-N-(4-naphthalen-1-ylphenyl)fluoren-2-amine
CID 170139523
9,9-dimethyl-N-[4-[4-[N-naphthalen-1-yl-4-(3-phenylphenyl)anilino]phenyl]phenyl]-N-(4-phenylphenyl)fluoren-2-amine;N-[4-[4-(N-(4-phenylphenyl)anilino)phenyl]phenyl]-N-[4-(3-phenylphenyl)phenyl]naphthalen-1-amine;N-[4-(3-phenylphenyl)phenyl]-N-[4-[4-[4-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]anilino]phenyl]phenyl]naphthalen-1-amine
CID 158708214

Frequently Asked Questions

What is the IUPAC name of N-(3,5-diphenylphenyl)-9,9-dimethyl-N-(2,3,5,6-tetradeuterio-4-phenanthren-3-ylphenyl)fluoren-2-amine?
The IUPAC name of N-(3,5-diphenylphenyl)-9,9-dimethyl-N-(2,3,5,6-tetradeuterio-4-phenanthren-3-ylphenyl)fluoren-2-amine (CID 171452807) is N-(3,5-diphenylphenyl)-9,9-dimethyl-N-(2,3,5,6-tetradeuterio-4-phenanthren-3-ylphenyl)fluoren-2-amine.
What is the SMILES notation for N-(3,5-diphenylphenyl)-9,9-dimethyl-N-(2,3,5,6-tetradeuterio-4-phenanthren-3-ylphenyl)fluoren-2-amine?
The canonical SMILES for N-(3,5-diphenylphenyl)-9,9-dimethyl-N-(2,3,5,6-tetradeuterio-4-phenanthren-3-ylphenyl)fluoren-2-amine is [2H]c1c([2H])c(N(c2cc(-c3ccccc3)cc(-c3ccccc3)c2)c2ccc3c(c2)C(C)(C)c2ccccc2-3)c([2H])c([2H])c1-c1ccc2ccc3ccccc3c2c1.
What is the InChIKey of N-(3,5-diphenylphenyl)-9,9-dimethyl-N-(2,3,5,6-tetradeuterio-4-phenanthren-3-ylphenyl)fluoren-2-amine?
The InChIKey is BYPKZKTUFBMJPI-VJERBKOKSA-N. The full InChI is InChI=1S/C53H39N/c1-53(2)51-20-12-11-19-48(51)49-30-29-45(35-52(49)53)54(46-32-42(36-13-5-3-6-14-36)31-43(33-46)37-15-7-4-8-16-37)44-27-25-38(26-28-44)41-24-23-40-22-21-39-17-9-10-18-47(39)50(40)34-41/h3-35H,1-2H3/i25D,26D,27D,28D.
What are the key properties of N-(3,5-diphenylphenyl)-9,9-dimethyl-N-(2,3,5,6-tetradeuterio-4-phenanthren-3-ylphenyl)fluoren-2-amine?
N-(3,5-diphenylphenyl)-9,9-dimethyl-N-(2,3,5,6-tetradeuterio-4-phenanthren-3-ylphenyl)fluoren-2-amine has a molecular weight of 693.93 g/mol, XLogP of 14.77, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-diphenylphenyl)-9,9-dimethyl-N-(2,3,5,6-tetradeuterio-4-phenanthren-3-ylphenyl)fluoren-2-amine is sourced from PubChem (CID 171452807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).