N-[4-(9,10-diphenylphenanthren-3-yl)phenyl]-N-[4-(3,4-diphenylphenyl)phenyl]-2,6-diphenylaniline

C74H51N — CID 169062930

IUPACN-[4-(9,10-diphenylphenanthren-3-yl)phenyl]-N-[4-(3,4-diphenylphenyl)phenyl]-2,6-diphenylaniline
SMILESc1ccc(-c2ccc(-c3ccc(N(c4ccc(-c5ccc6c(-c7ccccc7)c(-c7ccccc7)c7ccccc7c6c5)cc4)c4c(-c5ccccc5)cccc4-c4ccccc4)cc3)cc2-c2ccccc2)cc1
InChIInChI=1S/C74H51N/c1-7-22-54(23-8-1)64-48-42-60(50-70(64)57-28-13-4-14-29-57)52-38-44-62(45-39-52)75(74-65(55-24-9-2-10-25-55)36-21-37-66(74)56-26-11-3-12-27-56)63-46-40-53(41-47-63)61-43-49-69-71(51-61)67-34-19-20-35-68(67)72(58-30-15-5-16-31-58)73(69)59-32-17-6-18-33-59/h1-51H
InChIKeyBLCWHAANUZTGTD-UHFFFAOYSA-N
MW954.23 g/mol
LogP20.80
Rot. Bonds11

About N-[4-(9,10-diphenylphenanthren-3-yl)phenyl]-N-[4-(3,4-diphenylphenyl)phenyl]-2,6-diphenylaniline

N-[4-(9,10-diphenylphenanthren-3-yl)phenyl]-N-[4-(3,4-diphenylphenyl)phenyl]-2,6-diphenylaniline (PubChem CID 169062930) has the molecular formula C74H51N and a molecular weight of 954.23 g/mol. Its IUPAC name is N-[4-(9,10-diphenylphenanthren-3-yl)phenyl]-N-[4-(3,4-diphenylphenyl)phenyl]-2,6-diphenylaniline.

Molecular Properties

Compound NameN-[4-(9,10-diphenylphenanthren-3-yl)phenyl]-N-[4-(3,4-diphenylphenyl)phenyl]-2,6-diphenylaniline
PubChem CID169062930
Molecular FormulaC74H51N
Molecular Weight954.23 g/mol
Exact Mass953.40
IUPAC NameN-[4-(9,10-diphenylphenanthren-3-yl)phenyl]-N-[4-(3,4-diphenylphenyl)phenyl]-2,6-diphenylaniline
SMILESc1ccc(-c2ccc(-c3ccc(N(c4ccc(-c5ccc6c(-c7ccccc7)c(-c7ccccc7)c7ccccc7c6c5)cc4)c4c(-c5ccccc5)cccc4-c4ccccc4)cc3)cc2-c2ccccc2)cc1
InChIInChI=1S/C74H51N/c1-7-22-54(23-8-1)64-48-42-60(50-70(64)57-28-13-4-14-29-57)52-38-44-62(45-39-52)75(74-65(55-24-9-2-10-25-55)36-21-37-66(74)56-26-11-3-12-27-56)63-46-40-53(41-47-63)61-43-49-69-71(51-61)67-34-19-20-35-68(67)72(58-30-15-5-16-31-58)73(69)59-32-17-6-18-33-59/h1-51H
InChIKeyBLCWHAANUZTGTD-UHFFFAOYSA-N
XLogP20.80
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms75
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500954.23
LogP ≤ 520.80
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-3-yl)phenyl]-N-[4-(3,4-diphenylphenyl)phenyl]-2,6-diphenylaniline 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-3-yl)phenyl]-N-(3,4-diphenylphenyl)-2,6-diphenylaniline
CID 169062709
N-[4-(9,10-diphenylphenanthren-3-yl)phenyl]-N-[4-(2,4-diphenylphenyl)phenyl]-4-phenylaniline
CID 169062596
N-[4-(9,10-diphenylphenanthren-2-yl)phenyl]-N-[4-(2,4-diphenylphenyl)phenyl]-4-(4-phenylphenyl)aniline
CID 169063252
N-[4-(9,10-diphenylphenanthren-3-yl)phenyl]-3,4-diphenyl-N-[4-(4-phenylphenyl)phenyl]aniline
CID 169063649
N-[4-(9,10-diphenylphenanthren-2-yl)phenyl]-N-[4-(2,4-diphenylphenyl)phenyl]-3,4-diphenylaniline
CID 169061959
N-[3-(9,10-diphenylphenanthren-2-yl)phenyl]-N-[4-(3,4-diphenylphenyl)phenyl]-2-phenylaniline
CID 169063751
10-[4-[3-[3-[4-(3,4-diphenylphenyl)-N-[10-[4-[3-[3-[N-[10-(4-phenylphenyl)phenanthren-9-yl]-4-[4-(2-phenylphenyl)phenyl]anilino]phenyl]phenyl]phenyl]phenanthren-9-yl]anilino]phenyl]phenyl]phenyl]-N-phenyl-N-[3-phenyl-4-(4-phenylphenyl)phenyl]phenanthren-9-amine
CID 155305411
N-[4-(9,10-diphenylphenanthren-4-yl)phenyl]-4-(3,4-diphenylphenyl)-N-phenylaniline
CID 169062049
N-[4-(9,10-diphenylphenanthren-3-yl)phenyl]-2-phenyl-N-(4-phenylphenyl)aniline
CID 169062413
N-[4-(9,10-diphenylphenanthren-1-yl)phenyl]-N-[4-(3,4-diphenylphenyl)phenyl]-2-phenylaniline
CID 169064711
N-[4-(9,10-diphenylphenanthren-1-yl)phenyl]-N-[4-(2,4-diphenylphenyl)phenyl]-3,5-diphenylaniline
CID 169063744
10-(4-phenylphenyl)-N-[4-(3-phenylphenyl)phenyl]-N-[4-[3-[3-[10-(N-[4-(2-phenylphenyl)phenyl]anilino)phenanthren-9-yl]phenyl]phenyl]phenyl]phenanthren-9-amine
CID 155304845

Frequently Asked Questions

What is the IUPAC name of N-[4-(9,10-diphenylphenanthren-3-yl)phenyl]-N-[4-(3,4-diphenylphenyl)phenyl]-2,6-diphenylaniline?
The IUPAC name of N-[4-(9,10-diphenylphenanthren-3-yl)phenyl]-N-[4-(3,4-diphenylphenyl)phenyl]-2,6-diphenylaniline (CID 169062930) is N-[4-(9,10-diphenylphenanthren-3-yl)phenyl]-N-[4-(3,4-diphenylphenyl)phenyl]-2,6-diphenylaniline.
What is the SMILES notation for N-[4-(9,10-diphenylphenanthren-3-yl)phenyl]-N-[4-(3,4-diphenylphenyl)phenyl]-2,6-diphenylaniline?
The canonical SMILES for N-[4-(9,10-diphenylphenanthren-3-yl)phenyl]-N-[4-(3,4-diphenylphenyl)phenyl]-2,6-diphenylaniline is c1ccc(-c2ccc(-c3ccc(N(c4ccc(-c5ccc6c(-c7ccccc7)c(-c7ccccc7)c7ccccc7c6c5)cc4)c4c(-c5ccccc5)cccc4-c4ccccc4)cc3)cc2-c2ccccc2)cc1.
What is the InChIKey of N-[4-(9,10-diphenylphenanthren-3-yl)phenyl]-N-[4-(3,4-diphenylphenyl)phenyl]-2,6-diphenylaniline?
The InChIKey is BLCWHAANUZTGTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C74H51N/c1-7-22-54(23-8-1)64-48-42-60(50-70(64)57-28-13-4-14-29-57)52-38-44-62(45-39-52)75(74-65(55-24-9-2-10-25-55)36-21-37-66(74)56-26-11-3-12-27-56)63-46-40-53(41-47-63)61-43-49-69-71(51-61)67-34-19-20-35-68(67)72(58-30-15-5-16-31-58)73(69)59-32-17-6-18-33-59/h1-51H.
What are the key properties of N-[4-(9,10-diphenylphenanthren-3-yl)phenyl]-N-[4-(3,4-diphenylphenyl)phenyl]-2,6-diphenylaniline?
N-[4-(9,10-diphenylphenanthren-3-yl)phenyl]-N-[4-(3,4-diphenylphenyl)phenyl]-2,6-diphenylaniline has a molecular weight of 954.23 g/mol, XLogP of 20.80, 11 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-3-yl)phenyl]-N-[4-(3,4-diphenylphenyl)phenyl]-2,6-diphenylaniline is sourced from PubChem (CID 169062930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).