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

C74H51N — CID 169061959

IUPACN-[4-(9,10-diphenylphenanthren-2-yl)phenyl]-N-[4-(2,4-diphenylphenyl)phenyl]-3,4-diphenylaniline
SMILESc1ccc(-c2ccc(-c3ccc(N(c4ccc(-c5ccc6c(c5)c(-c5ccccc5)c(-c5ccccc5)c5ccccc56)cc4)c4ccc(-c5ccccc5)c(-c5ccccc5)c4)cc3)c(-c3ccccc3)c2)cc1
InChIInChI=1S/C74H51N/c1-7-21-52(22-8-1)60-39-46-65(70(49-60)55-25-11-3-12-26-55)57-37-43-63(44-38-57)75(64-45-48-66(54-23-9-2-10-24-54)71(51-64)56-27-13-4-14-28-56)62-41-35-53(36-42-62)61-40-47-68-67-33-19-20-34-69(67)73(58-29-15-5-16-30-58)74(72(68)50-61)59-31-17-6-18-32-59/h1-51H
InChIKeyOJMRWMRYVROSPV-UHFFFAOYSA-N
MW954.23 g/mol
LogP20.80
Rot. Bonds11

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

N-[4-(9,10-diphenylphenanthren-2-yl)phenyl]-N-[4-(2,4-diphenylphenyl)phenyl]-3,4-diphenylaniline (PubChem CID 169061959) has the molecular formula C74H51N and a molecular weight of 954.23 g/mol. Its IUPAC name is N-[4-(9,10-diphenylphenanthren-2-yl)phenyl]-N-[4-(2,4-diphenylphenyl)phenyl]-3,4-diphenylaniline.

Molecular Properties

Compound NameN-[4-(9,10-diphenylphenanthren-2-yl)phenyl]-N-[4-(2,4-diphenylphenyl)phenyl]-3,4-diphenylaniline
PubChem CID169061959
Molecular FormulaC74H51N
Molecular Weight954.23 g/mol
Exact Mass953.40
IUPAC NameN-[4-(9,10-diphenylphenanthren-2-yl)phenyl]-N-[4-(2,4-diphenylphenyl)phenyl]-3,4-diphenylaniline
SMILESc1ccc(-c2ccc(-c3ccc(N(c4ccc(-c5ccc6c(c5)c(-c5ccccc5)c(-c5ccccc5)c5ccccc56)cc4)c4ccc(-c5ccccc5)c(-c5ccccc5)c4)cc3)c(-c3ccccc3)c2)cc1
InChIInChI=1S/C74H51N/c1-7-21-52(22-8-1)60-39-46-65(70(49-60)55-25-11-3-12-26-55)57-37-43-63(44-38-57)75(64-45-48-66(54-23-9-2-10-24-54)71(51-64)56-27-13-4-14-28-56)62-41-35-53(36-42-62)61-40-47-68-67-33-19-20-34-69(67)73(58-29-15-5-16-30-58)74(72(68)50-61)59-31-17-6-18-32-59/h1-51H
InChIKeyOJMRWMRYVROSPV-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-2-yl)phenyl]-N-[4-(2,4-diphenylphenyl)phenyl]-3,4-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-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-3-yl)phenyl]-N-[4-(2,4-diphenylphenyl)phenyl]-4-phenylaniline
CID 169062596
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-(3,4-diphenylphenyl)phenyl]-2,6-diphenylaniline
CID 169062930
N-[3-(9,10-diphenylphenanthren-2-yl)phenyl]-N-[4-(3,4-diphenylphenyl)phenyl]-2-phenylaniline
CID 169063751
N-[4-(9,10-diphenylphenanthren-1-yl)phenyl]-3,4-diphenyl-N-[4-(4-phenylphenyl)phenyl]aniline
CID 169064902
N-[4-(9,10-diphenylphenanthren-2-yl)phenyl]-N-[4-(2,3-diphenylphenyl)phenyl]-3-phenylaniline
CID 169062227
N-[4-(9,10-diphenylphenanthren-2-yl)phenyl]-N-(2,4-diphenylphenyl)-2,4-diphenylaniline
CID 169063064
N-[4-(9,10-diphenylphenanthren-4-yl)phenyl]-3,4-diphenyl-N-(4-phenylphenyl)aniline
CID 169062763
N-[4-(2,3-diphenylphenyl)phenyl]-9,10-diphenyl-N-(4-phenylphenyl)phenanthren-2-amine
CID 169063848
4-(9,10-diphenylphenanthren-2-yl)-N,N-bis(4-naphthalen-1-ylphenyl)aniline
CID 169063324

Frequently Asked Questions

What is the IUPAC name of N-[4-(9,10-diphenylphenanthren-2-yl)phenyl]-N-[4-(2,4-diphenylphenyl)phenyl]-3,4-diphenylaniline?
The IUPAC name of N-[4-(9,10-diphenylphenanthren-2-yl)phenyl]-N-[4-(2,4-diphenylphenyl)phenyl]-3,4-diphenylaniline (CID 169061959) is N-[4-(9,10-diphenylphenanthren-2-yl)phenyl]-N-[4-(2,4-diphenylphenyl)phenyl]-3,4-diphenylaniline.
What is the SMILES notation for N-[4-(9,10-diphenylphenanthren-2-yl)phenyl]-N-[4-(2,4-diphenylphenyl)phenyl]-3,4-diphenylaniline?
The canonical SMILES for N-[4-(9,10-diphenylphenanthren-2-yl)phenyl]-N-[4-(2,4-diphenylphenyl)phenyl]-3,4-diphenylaniline is c1ccc(-c2ccc(-c3ccc(N(c4ccc(-c5ccc6c(c5)c(-c5ccccc5)c(-c5ccccc5)c5ccccc56)cc4)c4ccc(-c5ccccc5)c(-c5ccccc5)c4)cc3)c(-c3ccccc3)c2)cc1.
What is the InChIKey of N-[4-(9,10-diphenylphenanthren-2-yl)phenyl]-N-[4-(2,4-diphenylphenyl)phenyl]-3,4-diphenylaniline?
The InChIKey is OJMRWMRYVROSPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C74H51N/c1-7-21-52(22-8-1)60-39-46-65(70(49-60)55-25-11-3-12-26-55)57-37-43-63(44-38-57)75(64-45-48-66(54-23-9-2-10-24-54)71(51-64)56-27-13-4-14-28-56)62-41-35-53(36-42-62)61-40-47-68-67-33-19-20-34-69(67)73(58-29-15-5-16-30-58)74(72(68)50-61)59-31-17-6-18-32-59/h1-51H.
What are the key properties of N-[4-(9,10-diphenylphenanthren-2-yl)phenyl]-N-[4-(2,4-diphenylphenyl)phenyl]-3,4-diphenylaniline?
N-[4-(9,10-diphenylphenanthren-2-yl)phenyl]-N-[4-(2,4-diphenylphenyl)phenyl]-3,4-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-2-yl)phenyl]-N-[4-(2,4-diphenylphenyl)phenyl]-3,4-diphenylaniline is sourced from PubChem (CID 169061959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).