N-[4-[6-[4-(1-adamantyl)phenyl]naphthalen-2-yl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline

C56H47N — CID 139352768

IUPACN-[4-[6-[4-(1-adamantyl)phenyl]naphthalen-2-yl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
SMILESc1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4ccc5cc(-c6ccc(C78CC9CC(CC(C9)C7)C8)cc6)ccc5c4)cc3)cc2)cc1
InChIInChI=1S/C56H47N/c1-3-7-42(8-4-1)44-17-25-53(26-18-44)57(54-27-19-45(20-28-54)43-9-5-2-6-10-43)55-29-21-47(22-30-55)49-12-14-50-34-48(11-13-51(50)35-49)46-15-23-52(24-16-46)56-36-39-31-40(37-56)33-41(32-39)38-56/h1-30,34-35,39-41H,31-33,36-38H2
InChIKeyMVHJMRCHWPDENF-UHFFFAOYSA-N
MW734.00 g/mol
LogP15.45
Rot. Bonds8

About N-[4-[6-[4-(1-adamantyl)phenyl]naphthalen-2-yl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline

N-[4-[6-[4-(1-adamantyl)phenyl]naphthalen-2-yl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline (PubChem CID 139352768) has the molecular formula C56H47N and a molecular weight of 734.00 g/mol. Its IUPAC name is N-[4-[6-[4-(1-adamantyl)phenyl]naphthalen-2-yl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline.

Molecular Properties

Compound NameN-[4-[6-[4-(1-adamantyl)phenyl]naphthalen-2-yl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
PubChem CID139352768
Molecular FormulaC56H47N
Molecular Weight734.00 g/mol
Exact Mass733.37
IUPAC NameN-[4-[6-[4-(1-adamantyl)phenyl]naphthalen-2-yl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
SMILESc1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4ccc5cc(-c6ccc(C78CC9CC(CC(C9)C7)C8)cc6)ccc5c4)cc3)cc2)cc1
InChIInChI=1S/C56H47N/c1-3-7-42(8-4-1)44-17-25-53(26-18-44)57(54-27-19-45(20-28-54)43-9-5-2-6-10-43)55-29-21-47(22-30-55)49-12-14-50-34-48(11-13-51(50)35-49)46-15-23-52(24-16-46)56-36-39-31-40(37-56)33-41(32-39)38-56/h1-30,34-35,39-41H,31-33,36-38H2
InChIKeyMVHJMRCHWPDENF-UHFFFAOYSA-N
XLogP15.45
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500734.00
LogP ≤ 515.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze N-[4-[6-[4-(1-adamantyl)phenyl]naphthalen-2-yl]phenyl]-4-phenyl-N-(4-phenylphenyl)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

3-phenyl-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]-N-[4-(1-tricyclo[3.3.1.03,7]nonanyl)phenyl]aniline
CID 155421593
N-[4-[3-[4-(1-adamantyl)phenyl]naphthalen-2-yl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline;N-[4-(1,4,5,6,7,8-hexadeuterio-3-phenylnaphthalen-2-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline;4-phenyl-N-(4-phenylphenyl)-N-[4-[3-(4-phenylphenyl)naphthalen-2-yl]phenyl]aniline
CID 158364670
N-[4-[7-(1-adamantyl)-9,9-dimethylfluoren-2-yl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 145346070
2-N-[4-(1-adamantyl)phenyl]-9,9-dimethyl-7-N,7-N-diphenyl-2-N-(4-phenylphenyl)fluorene-2,7-diamine
CID 164768061
N-[4-[4-[N-[4-(1-adamantyl)phenyl]-4-(4-methylphenyl)anilino]phenyl]phenyl]-3,4-diphenyl-N-(4-phenylphenyl)aniline
CID 164768070
N-[4-(1-adamantyl)phenyl]-N-[4-(3,7-dimethyl-3-bicyclo[3.3.1]nonanyl)phenyl]-4-(4-phenylphenyl)aniline
CID 170129620
2,6-bis(1-adamantyl)-9-N,9-N,10-N,10-N-tetrakis(4-phenylphenyl)anthracene-9,10-diamine
CID 59861526
2-N-[4-(1-adamantyl)phenyl]-2-N,7-N-diphenyl-7-N-(4-phenylphenyl)dibenzothiophene-2,7-diamine
CID 164768059
N-[4-(1-adamantyl)phenyl]-4-(9,9-dimethylfluoren-2-yl)-N-[4-(8-phenylnaphthalen-1-yl)phenyl]aniline
CID 169028657
9-N-[4-(1-adamantyl)phenyl]-1-N,1-N-diphenyl-9-N-(4-phenylphenyl)dibenzofuran-1,9-diamine
CID 164843683
N-[4-[4-(N-[4-(1-adamantyl)phenyl]anilino)phenyl]phenyl]-N-phenyldibenzothiophen-3-amine
CID 155421602
N-[4-[4-(1-adamantyl)phenyl]phenyl]-2-naphthalen-1-yl-N-(4-phenylphenyl)aniline
CID 130197529

Frequently Asked Questions

What is the IUPAC name of N-[4-[6-[4-(1-adamantyl)phenyl]naphthalen-2-yl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline?
The IUPAC name of N-[4-[6-[4-(1-adamantyl)phenyl]naphthalen-2-yl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline (CID 139352768) is N-[4-[6-[4-(1-adamantyl)phenyl]naphthalen-2-yl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline.
What is the SMILES notation for N-[4-[6-[4-(1-adamantyl)phenyl]naphthalen-2-yl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline?
The canonical SMILES for N-[4-[6-[4-(1-adamantyl)phenyl]naphthalen-2-yl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline is c1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4ccc5cc(-c6ccc(C78CC9CC(CC(C9)C7)C8)cc6)ccc5c4)cc3)cc2)cc1.
What is the InChIKey of N-[4-[6-[4-(1-adamantyl)phenyl]naphthalen-2-yl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline?
The InChIKey is MVHJMRCHWPDENF-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H47N/c1-3-7-42(8-4-1)44-17-25-53(26-18-44)57(54-27-19-45(20-28-54)43-9-5-2-6-10-43)55-29-21-47(22-30-55)49-12-14-50-34-48(11-13-51(50)35-49)46-15-23-52(24-16-46)56-36-39-31-40(37-56)33-41(32-39)38-56/h1-30,34-35,39-41H,31-33,36-38H2.
What are the key properties of N-[4-[6-[4-(1-adamantyl)phenyl]naphthalen-2-yl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline?
N-[4-[6-[4-(1-adamantyl)phenyl]naphthalen-2-yl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline has a molecular weight of 734.00 g/mol, XLogP of 15.45, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[6-[4-(1-adamantyl)phenyl]naphthalen-2-yl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline is sourced from PubChem (CID 139352768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).