N,N-bis(4-phenanthren-2-ylphenyl)-4-phenylaniline

C52H35N — CID 135299389

IUPACN,N-bis(4-phenanthren-2-ylphenyl)-4-phenylaniline
SMILESc1ccc(-c2ccc(N(c3ccc(-c4ccc5c(ccc6ccccc65)c4)cc3)c3ccc(-c4ccc5c(ccc6ccccc65)c4)cc3)cc2)cc1
InChIInChI=1S/C52H35N/c1-2-8-36(9-3-1)37-18-26-46(27-19-37)53(47-28-20-38(21-29-47)42-24-32-51-44(34-42)16-14-40-10-4-6-12-49(40)51)48-30-22-39(23-31-48)43-25-33-52-45(35-43)17-15-41-11-5-7-13-50(41)52/h1-35H
InChIKeyNFHFYCZLCINNLN-UHFFFAOYSA-N
MW673.86 g/mol
LogP14.77
Rot. Bonds6

About N,N-bis(4-phenanthren-2-ylphenyl)-4-phenylaniline

N,N-bis(4-phenanthren-2-ylphenyl)-4-phenylaniline (PubChem CID 135299389) has the molecular formula C52H35N and a molecular weight of 673.86 g/mol. Its IUPAC name is N,N-bis(4-phenanthren-2-ylphenyl)-4-phenylaniline.

Molecular Properties

Compound NameN,N-bis(4-phenanthren-2-ylphenyl)-4-phenylaniline
PubChem CID135299389
Molecular FormulaC52H35N
Molecular Weight673.86 g/mol
Exact Mass673.28
IUPAC NameN,N-bis(4-phenanthren-2-ylphenyl)-4-phenylaniline
SMILESc1ccc(-c2ccc(N(c3ccc(-c4ccc5c(ccc6ccccc65)c4)cc3)c3ccc(-c4ccc5c(ccc6ccccc65)c4)cc3)cc2)cc1
InChIInChI=1S/C52H35N/c1-2-8-36(9-3-1)37-18-26-46(27-19-37)53(47-28-20-38(21-29-47)42-24-32-51-44(34-42)16-14-40-10-4-6-12-49(40)51)48-30-22-39(23-31-48)43-25-33-52-45(35-43)17-15-41-11-5-7-13-50(41)52/h1-35H
InChIKeyNFHFYCZLCINNLN-UHFFFAOYSA-N
XLogP14.77
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500673.86
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,N-bis(4-phenanthren-2-ylphenyl)-4-phenylaniline 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,N-bis[4-(4-phenanthren-2-ylphenyl)phenyl]-4-(4-phenylphenyl)aniline
CID 135299426
N-(4-chrysen-2-ylphenyl)-N-(4-naphthalen-2-ylphenyl)-4-phenylaniline
CID 170675871
N,N-bis(4-phenanthren-2-ylphenyl)-4-(4-phenylphenyl)aniline;N-(4-naphthalen-2-ylphenyl)-4-phenanthren-2-yl-N-(4-phenanthren-2-ylphenyl)aniline;4-phenanthren-2-yl-N-(4-phenanthren-2-ylphenyl)-N-[4-(3-phenylphenyl)phenyl]aniline
CID 163719367
N-(4-phenanthren-2-ylphenyl)-N-(4-phenanthren-9-ylphenyl)-4-phenylaniline
CID 155304054
N,N-bis(4-phenylphenyl)chrysen-2-amine
CID 164748030
N-(4-chrysen-3-ylphenyl)-4-phenyl-N-(4-phenylphenyl)aniline
CID 170135838
N,N-bis(4-naphthalen-1-ylphenyl)-4-(7-phenylphenanthren-2-yl)aniline
CID 138742492
N,N-bis(3-phenanthren-2-ylphenyl)-3-phenylaniline
CID 135299449
N,N-diphenyl-4-(6-picen-2-ylnaphthalen-2-yl)aniline
CID 58511216
N-phenanthren-2-yl-N-(4-phenylphenyl)chrysen-3-amine
CID 170135801
7-[4-(N-naphthalen-1-ylanilino)phenyl]-N,N-bis(4-phenylphenyl)phenanthren-2-amine
CID 59754893
N,N-diphenyl-4-[7-[4-(N-phenylanilino)phenyl]phenanthren-2-yl]aniline;N,4-diphenyl-N-[4-[7-[4-(N-(4-phenylphenyl)anilino)phenyl]phenanthren-2-yl]phenyl]aniline;N-naphthalen-1-yl-7-[7-(N-naphthalen-1-ylanilino)phenanthren-2-yl]-N-phenylphenanthren-2-amine;4-phenyl-N-(4-phenylphenyl)-N-[4-[7-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenanthren-2-yl]phenyl]aniline
CID 162152216

Frequently Asked Questions

What is the IUPAC name of N,N-bis(4-phenanthren-2-ylphenyl)-4-phenylaniline?
The IUPAC name of N,N-bis(4-phenanthren-2-ylphenyl)-4-phenylaniline (CID 135299389) is N,N-bis(4-phenanthren-2-ylphenyl)-4-phenylaniline.
What is the SMILES notation for N,N-bis(4-phenanthren-2-ylphenyl)-4-phenylaniline?
The canonical SMILES for N,N-bis(4-phenanthren-2-ylphenyl)-4-phenylaniline is c1ccc(-c2ccc(N(c3ccc(-c4ccc5c(ccc6ccccc65)c4)cc3)c3ccc(-c4ccc5c(ccc6ccccc65)c4)cc3)cc2)cc1.
What is the InChIKey of N,N-bis(4-phenanthren-2-ylphenyl)-4-phenylaniline?
The InChIKey is NFHFYCZLCINNLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H35N/c1-2-8-36(9-3-1)37-18-26-46(27-19-37)53(47-28-20-38(21-29-47)42-24-32-51-44(34-42)16-14-40-10-4-6-12-49(40)51)48-30-22-39(23-31-48)43-25-33-52-45(35-43)17-15-41-11-5-7-13-50(41)52/h1-35H.
What are the key properties of N,N-bis(4-phenanthren-2-ylphenyl)-4-phenylaniline?
N,N-bis(4-phenanthren-2-ylphenyl)-4-phenylaniline has a molecular weight of 673.86 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,N-bis(4-phenanthren-2-ylphenyl)-4-phenylaniline is sourced from PubChem (CID 135299389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).