N-(3-phenylphenyl)-N-(7,9,9-triphenylfluoren-2-yl)phenanthren-9-amine

C57H39N — CID 155304763

IUPACN-(3-phenylphenyl)-N-(7,9,9-triphenylfluoren-2-yl)phenanthren-9-amine
SMILESc1ccc(-c2cccc(N(c3ccc4c(c3)C(c3ccccc3)(c3ccccc3)c3cc(-c5ccccc5)ccc3-4)c3cc4ccccc4c4ccccc34)c2)cc1
InChIInChI=1S/C57H39N/c1-5-18-40(19-6-1)42-23-17-28-47(36-42)58(56-38-44-22-13-14-29-49(44)50-30-15-16-31-53(50)56)48-33-35-52-51-34-32-43(41-20-7-2-8-21-41)37-54(51)57(55(52)39-48,45-24-9-3-10-25-45)46-26-11-4-12-27-46/h1-39H
InChIKeyJRLUZIQJZCHPQK-UHFFFAOYSA-N
MW737.95 g/mol
LogP15.16
Rot. Bonds7

About N-(3-phenylphenyl)-N-(7,9,9-triphenylfluoren-2-yl)phenanthren-9-amine

N-(3-phenylphenyl)-N-(7,9,9-triphenylfluoren-2-yl)phenanthren-9-amine (PubChem CID 155304763) has the molecular formula C57H39N and a molecular weight of 737.95 g/mol. Its IUPAC name is N-(3-phenylphenyl)-N-(7,9,9-triphenylfluoren-2-yl)phenanthren-9-amine.

Molecular Properties

Compound NameN-(3-phenylphenyl)-N-(7,9,9-triphenylfluoren-2-yl)phenanthren-9-amine
PubChem CID155304763
Molecular FormulaC57H39N
Molecular Weight737.95 g/mol
Exact Mass737.31
IUPAC NameN-(3-phenylphenyl)-N-(7,9,9-triphenylfluoren-2-yl)phenanthren-9-amine
SMILESc1ccc(-c2cccc(N(c3ccc4c(c3)C(c3ccccc3)(c3ccccc3)c3cc(-c5ccccc5)ccc3-4)c3cc4ccccc4c4ccccc34)c2)cc1
InChIInChI=1S/C57H39N/c1-5-18-40(19-6-1)42-23-17-28-47(36-42)58(56-38-44-22-13-14-29-49(44)50-30-15-16-31-53(50)56)48-33-35-52-51-34-32-43(41-20-7-2-8-21-41)37-54(51)57(55(52)39-48,45-24-9-3-10-25-45)46-26-11-4-12-27-46/h1-39H
InChIKeyJRLUZIQJZCHPQK-UHFFFAOYSA-N
XLogP15.16
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500737.95
LogP ≤ 515.16
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-phenylphenyl)-N-(7,9,9-triphenylfluoren-2-yl)phenanthren-9-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-(2-phenylphenyl)phenyl]-N-(7,9,9-triphenylfluoren-2-yl)phenanthren-9-amine
CID 155303585
N-(9,9-diphenylfluoren-2-yl)-N-(4-phenylphenyl)phenanthren-9-amine
CID 142589044
N-(9,9-diphenylfluoren-2-yl)-N-[4-(2-phenylphenyl)phenyl]phenanthren-9-amine
CID 153471165
N-(9,9-diphenylfluoren-2-yl)-N-phenylphenanthren-9-amine
CID 142589088
3-N-(10,10-diphenyl-21-pentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaenyl)-1-N-phenyl-1-N-(3-phenylphenyl)-3-N-(4-phenylphenyl)benzene-1,3-diamine
CID 171052292
N-[9,9-dimethyl-7-[4-(4-phenylphenyl)phenyl]fluoren-2-yl]-N-phenylphenanthren-9-amine
CID 118428477
N-(9,9-dimethyl-7-phenylfluoren-2-yl)-N-(4-phenylphenyl)phenanthren-9-amine
CID 155305035
N-phenanthren-9-yl-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine
CID 155303586
N-[9,9-dimethyl-7-(4-phenylphenyl)fluoren-2-yl]-N-[4-(4-phenylphenyl)phenyl]phenanthren-9-amine
CID 118428440
N-(9,9-diphenylfluoren-3-yl)-N-[4-(4-phenylphenyl)phenyl]phenanthren-9-amine
CID 155304646
N-(4-phenylphenyl)-N-[3-(3-phenylphenyl)phenyl]phenanthren-9-amine
CID 156577401
N-phenyl-N-[4-[3-(N-(4-phenylphenyl)anilino)phenyl]phenyl]phenanthren-9-amine
CID 145256486

Frequently Asked Questions

What is the IUPAC name of N-(3-phenylphenyl)-N-(7,9,9-triphenylfluoren-2-yl)phenanthren-9-amine?
The IUPAC name of N-(3-phenylphenyl)-N-(7,9,9-triphenylfluoren-2-yl)phenanthren-9-amine (CID 155304763) is N-(3-phenylphenyl)-N-(7,9,9-triphenylfluoren-2-yl)phenanthren-9-amine.
What is the SMILES notation for N-(3-phenylphenyl)-N-(7,9,9-triphenylfluoren-2-yl)phenanthren-9-amine?
The canonical SMILES for N-(3-phenylphenyl)-N-(7,9,9-triphenylfluoren-2-yl)phenanthren-9-amine is c1ccc(-c2cccc(N(c3ccc4c(c3)C(c3ccccc3)(c3ccccc3)c3cc(-c5ccccc5)ccc3-4)c3cc4ccccc4c4ccccc34)c2)cc1.
What is the InChIKey of N-(3-phenylphenyl)-N-(7,9,9-triphenylfluoren-2-yl)phenanthren-9-amine?
The InChIKey is JRLUZIQJZCHPQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H39N/c1-5-18-40(19-6-1)42-23-17-28-47(36-42)58(56-38-44-22-13-14-29-49(44)50-30-15-16-31-53(50)56)48-33-35-52-51-34-32-43(41-20-7-2-8-21-41)37-54(51)57(55(52)39-48,45-24-9-3-10-25-45)46-26-11-4-12-27-46/h1-39H.
What are the key properties of N-(3-phenylphenyl)-N-(7,9,9-triphenylfluoren-2-yl)phenanthren-9-amine?
N-(3-phenylphenyl)-N-(7,9,9-triphenylfluoren-2-yl)phenanthren-9-amine has a molecular weight of 737.95 g/mol, XLogP of 15.16, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-phenylphenyl)-N-(7,9,9-triphenylfluoren-2-yl)phenanthren-9-amine is sourced from PubChem (CID 155304763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).