N-[4-(9,10-diphenylphenanthren-1-yl)phenyl]-3,4-diphenyl-N-[4-(4-phenylphenyl)phenyl]aniline

C68H47N — CID 169064902

IUPACN-[4-(9,10-diphenylphenanthren-1-yl)phenyl]-3,4-diphenyl-N-[4-(4-phenylphenyl)phenyl]aniline
SMILESc1ccc(-c2ccc(-c3ccc(N(c4ccc(-c5cccc6c5c(-c5ccccc5)c(-c5ccccc5)c5ccccc56)cc4)c4ccc(-c5ccccc5)c(-c5ccccc5)c4)cc3)cc2)cc1
InChIInChI=1S/C68H47N/c1-6-19-48(20-7-1)49-33-35-50(36-34-49)51-37-41-57(42-38-51)69(59-45-46-60(52-21-8-2-9-22-52)65(47-59)53-23-10-3-11-24-53)58-43-39-54(40-44-58)61-31-18-32-64-62-29-16-17-30-63(62)66(55-25-12-4-13-26-55)67(68(61)64)56-27-14-5-15-28-56/h1-47H
InChIKeyDILYWQIYQOOKQJ-UHFFFAOYSA-N
MW878.13 g/mol
LogP19.13
Rot. Bonds10

About N-[4-(9,10-diphenylphenanthren-1-yl)phenyl]-3,4-diphenyl-N-[4-(4-phenylphenyl)phenyl]aniline

N-[4-(9,10-diphenylphenanthren-1-yl)phenyl]-3,4-diphenyl-N-[4-(4-phenylphenyl)phenyl]aniline (PubChem CID 169064902) has the molecular formula C68H47N and a molecular weight of 878.13 g/mol. Its IUPAC name is N-[4-(9,10-diphenylphenanthren-1-yl)phenyl]-3,4-diphenyl-N-[4-(4-phenylphenyl)phenyl]aniline.

Molecular Properties

Compound NameN-[4-(9,10-diphenylphenanthren-1-yl)phenyl]-3,4-diphenyl-N-[4-(4-phenylphenyl)phenyl]aniline
PubChem CID169064902
Molecular FormulaC68H47N
Molecular Weight878.13 g/mol
Exact Mass877.37
IUPAC NameN-[4-(9,10-diphenylphenanthren-1-yl)phenyl]-3,4-diphenyl-N-[4-(4-phenylphenyl)phenyl]aniline
SMILESc1ccc(-c2ccc(-c3ccc(N(c4ccc(-c5cccc6c5c(-c5ccccc5)c(-c5ccccc5)c5ccccc56)cc4)c4ccc(-c5ccccc5)c(-c5ccccc5)c4)cc3)cc2)cc1
InChIInChI=1S/C68H47N/c1-6-19-48(20-7-1)49-33-35-50(36-34-49)51-37-41-57(42-38-51)69(59-45-46-60(52-21-8-2-9-22-52)65(47-59)53-23-10-3-11-24-53)58-43-39-54(40-44-58)61-31-18-32-64-62-29-16-17-30-63(62)66(55-25-12-4-13-26-55)67(68(61)64)56-27-14-5-15-28-56/h1-47H
InChIKeyDILYWQIYQOOKQJ-UHFFFAOYSA-N
XLogP19.13
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms69
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500878.13
LogP ≤ 519.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze N-[4-(9,10-diphenylphenanthren-1-yl)phenyl]-3,4-diphenyl-N-[4-(4-phenylphenyl)phenyl]aniline 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-(9,10-diphenylphenanthren-4-yl)phenyl]-3,4-diphenyl-N-(4-phenylphenyl)aniline
CID 169062763
N-[4-(9,10-diphenylphenanthren-1-yl)phenyl]-N-[4-(2,4-diphenylphenyl)phenyl]-3,5-diphenylaniline
CID 169063744
N-[4-(9,10-diphenylphenanthren-4-yl)phenyl]-4-(3,4-diphenylphenyl)-N-phenylaniline
CID 169062049
N-[4-(9,10-diphenylphenanthren-1-yl)phenyl]-N-[4-(2,3-diphenylphenyl)phenyl]-3-phenylaniline
CID 169064542
N-[4-(9,10-diphenylphenanthren-3-yl)phenyl]-3,4-diphenyl-N-[4-(4-phenylphenyl)phenyl]aniline
CID 169063649
3-(10-phenylphenanthren-9-yl)-N-(4-phenylphenyl)-N-[4-(2-phenylphenyl)phenyl]aniline
CID 134453682
N-[4-(9,10-diphenylphenanthren-1-yl)phenyl]-N-[4-(3,4-diphenylphenyl)phenyl]-2-phenylaniline
CID 169064711
N-[4-(9,10-diphenylphenanthren-2-yl)phenyl]-N-[4-(2,4-diphenylphenyl)phenyl]-3,4-diphenylaniline
CID 169061959
N-[4-(9,10-diphenylphenanthren-3-yl)phenyl]-N-(3,4-diphenylphenyl)-2,6-diphenylaniline
CID 169062709
N-[4-(2,4-diphenylphenyl)phenyl]-9,10-diphenyl-N-(2-phenylphenyl)phenanthren-1-amine
CID 169064818
N-[4-(3,4-diphenylphenyl)phenyl]-9,10-diphenyl-N-(2-phenylphenyl)phenanthren-1-amine
CID 169063236
N-(4-dibenzofuran-1-ylphenyl)-N-(3,4-diphenylphenyl)-9,10-diphenylphenanthren-2-amine
CID 169065438

Frequently Asked Questions

What is the IUPAC name of N-[4-(9,10-diphenylphenanthren-1-yl)phenyl]-3,4-diphenyl-N-[4-(4-phenylphenyl)phenyl]aniline?
The IUPAC name of N-[4-(9,10-diphenylphenanthren-1-yl)phenyl]-3,4-diphenyl-N-[4-(4-phenylphenyl)phenyl]aniline (CID 169064902) is N-[4-(9,10-diphenylphenanthren-1-yl)phenyl]-3,4-diphenyl-N-[4-(4-phenylphenyl)phenyl]aniline.
What is the SMILES notation for N-[4-(9,10-diphenylphenanthren-1-yl)phenyl]-3,4-diphenyl-N-[4-(4-phenylphenyl)phenyl]aniline?
The canonical SMILES for N-[4-(9,10-diphenylphenanthren-1-yl)phenyl]-3,4-diphenyl-N-[4-(4-phenylphenyl)phenyl]aniline is c1ccc(-c2ccc(-c3ccc(N(c4ccc(-c5cccc6c5c(-c5ccccc5)c(-c5ccccc5)c5ccccc56)cc4)c4ccc(-c5ccccc5)c(-c5ccccc5)c4)cc3)cc2)cc1.
What is the InChIKey of N-[4-(9,10-diphenylphenanthren-1-yl)phenyl]-3,4-diphenyl-N-[4-(4-phenylphenyl)phenyl]aniline?
The InChIKey is DILYWQIYQOOKQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C68H47N/c1-6-19-48(20-7-1)49-33-35-50(36-34-49)51-37-41-57(42-38-51)69(59-45-46-60(52-21-8-2-9-22-52)65(47-59)53-23-10-3-11-24-53)58-43-39-54(40-44-58)61-31-18-32-64-62-29-16-17-30-63(62)66(55-25-12-4-13-26-55)67(68(61)64)56-27-14-5-15-28-56/h1-47H.
What are the key properties of N-[4-(9,10-diphenylphenanthren-1-yl)phenyl]-3,4-diphenyl-N-[4-(4-phenylphenyl)phenyl]aniline?
N-[4-(9,10-diphenylphenanthren-1-yl)phenyl]-3,4-diphenyl-N-[4-(4-phenylphenyl)phenyl]aniline has a molecular weight of 878.13 g/mol, XLogP of 19.13, 10 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(9,10-diphenylphenanthren-1-yl)phenyl]-3,4-diphenyl-N-[4-(4-phenylphenyl)phenyl]aniline is sourced from PubChem (CID 169064902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).