4-[1-[4-(N-[4-(1-adamantyl)phenyl]anilino)phenyl]-3-propan-2-ylcyclohexyl]-N,N-diphenylaniline

C55H58N2 — CID 171416310

IUPAC4-[1-[4-(N-[4-(1-adamantyl)phenyl]anilino)phenyl]-3-propan-2-ylcyclohexyl]-N,N-diphenylaniline
SMILESCC(C)C1CCCC(c2ccc(N(c3ccccc3)c3ccccc3)cc2)(c2ccc(N(c3ccccc3)c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)cc2)C1
InChIInChI=1S/C55H58N2/c1-40(2)44-13-12-32-55(39-44,46-22-28-52(29-23-46)56(48-14-6-3-7-15-48)49-16-8-4-9-17-49)47-24-30-53(31-25-47)57(50-18-10-5-11-19-50)51-26-20-45(21-27-51)54-36-41-33-42(37-54)35-43(34-41)38-54/h3-11,14-31,40-44H,12-13,32-39H2,1-2H3
InChIKeyJDJQMZCNGCUYNJ-UHFFFAOYSA-N
MW747.08 g/mol
LogP15.23
Rot. Bonds10

About 4-[1-[4-(N-[4-(1-adamantyl)phenyl]anilino)phenyl]-3-propan-2-ylcyclohexyl]-N,N-diphenylaniline

4-[1-[4-(N-[4-(1-adamantyl)phenyl]anilino)phenyl]-3-propan-2-ylcyclohexyl]-N,N-diphenylaniline (PubChem CID 171416310) has the molecular formula C55H58N2 and a molecular weight of 747.08 g/mol. Its IUPAC name is 4-[1-[4-(N-[4-(1-adamantyl)phenyl]anilino)phenyl]-3-propan-2-ylcyclohexyl]-N,N-diphenylaniline.

Molecular Properties

Compound Name4-[1-[4-(N-[4-(1-adamantyl)phenyl]anilino)phenyl]-3-propan-2-ylcyclohexyl]-N,N-diphenylaniline
PubChem CID171416310
Molecular FormulaC55H58N2
Molecular Weight747.08 g/mol
Exact Mass746.46
IUPAC Name4-[1-[4-(N-[4-(1-adamantyl)phenyl]anilino)phenyl]-3-propan-2-ylcyclohexyl]-N,N-diphenylaniline
SMILESCC(C)C1CCCC(c2ccc(N(c3ccccc3)c3ccccc3)cc2)(c2ccc(N(c3ccccc3)c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)cc2)C1
InChIInChI=1S/C55H58N2/c1-40(2)44-13-12-32-55(39-44,46-22-28-52(29-23-46)56(48-14-6-3-7-15-48)49-16-8-4-9-17-49)47-24-30-53(31-25-47)57(50-18-10-5-11-19-50)51-26-20-45(21-27-51)54-36-41-33-42(37-54)35-43(34-41)38-54/h3-11,14-31,40-44H,12-13,32-39H2,1-2H3
InChIKeyJDJQMZCNGCUYNJ-UHFFFAOYSA-N
XLogP15.23
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500747.08
LogP ≤ 515.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 4-[1-[4-(N-[4-(1-adamantyl)phenyl]anilino)phenyl]-3-propan-2-ylcyclohexyl]-N,N-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-[1-[4-(N-[4-(1-adamantyl)phenyl]anilino)phenyl]-3-propan-2-ylcyclohexyl]phenyl]-9,9-dimethyl-N,5-diphenylfluoren-2-amine
CID 171416446
4-(2-bicyclo[2.2.1]heptanyl)-N-phenyl-N-[4-[1-[4-(N-phenylanilino)phenyl]-3-propan-2-ylcyclohexyl]phenyl]aniline
CID 171416397
N-[4-(1-adamantyl)phenyl]-4-cyclohexyl-N-[4-(1-phenylcycloheptyl)phenyl]aniline
CID 174254907
N-[4-(1-adamantyl)phenyl]-4-cyclohexyl-N-[4-(1-phenylcyclohexyl)phenyl]aniline
CID 174254574
N-[4-(1-adamantyl)phenyl]-4-(2-bicyclo[2.2.1]heptanyl)-N-[4-(1-phenylcyclohexyl)phenyl]aniline
CID 174254583
9,9-dimethyl-N-naphthalen-2-yl-5-phenyl-N-[4-[1-[4-(N-phenylanilino)phenyl]-3-propan-2-ylcyclohexyl]phenyl]fluoren-2-amine
CID 171416221
N-[4-[6-[4-(1-adamantyl)phenyl]naphthalen-2-yl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 139352768
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-(1-adamantyl)phenyl]-N-[4-(3,7-dimethyl-3-bicyclo[3.3.1]nonanyl)phenyl]-4-(4-phenylphenyl)aniline
CID 170129620
N,N-diphenyl-4-[1-[4-(N-phenylanilino)phenyl]-2-propan-2-ylcyclohexyl]aniline
CID 171416139
N-[4-[4-[N-[4-(1-adamantyl)phenyl]-4-(4-methylphenyl)anilino]phenyl]phenyl]-3,4-diphenyl-N-(4-phenylphenyl)aniline
CID 164768070
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

Frequently Asked Questions

What is the IUPAC name of 4-[1-[4-(N-[4-(1-adamantyl)phenyl]anilino)phenyl]-3-propan-2-ylcyclohexyl]-N,N-diphenylaniline?
The IUPAC name of 4-[1-[4-(N-[4-(1-adamantyl)phenyl]anilino)phenyl]-3-propan-2-ylcyclohexyl]-N,N-diphenylaniline (CID 171416310) is 4-[1-[4-(N-[4-(1-adamantyl)phenyl]anilino)phenyl]-3-propan-2-ylcyclohexyl]-N,N-diphenylaniline.
What is the SMILES notation for 4-[1-[4-(N-[4-(1-adamantyl)phenyl]anilino)phenyl]-3-propan-2-ylcyclohexyl]-N,N-diphenylaniline?
The canonical SMILES for 4-[1-[4-(N-[4-(1-adamantyl)phenyl]anilino)phenyl]-3-propan-2-ylcyclohexyl]-N,N-diphenylaniline is CC(C)C1CCCC(c2ccc(N(c3ccccc3)c3ccccc3)cc2)(c2ccc(N(c3ccccc3)c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)cc2)C1.
What is the InChIKey of 4-[1-[4-(N-[4-(1-adamantyl)phenyl]anilino)phenyl]-3-propan-2-ylcyclohexyl]-N,N-diphenylaniline?
The InChIKey is JDJQMZCNGCUYNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H58N2/c1-40(2)44-13-12-32-55(39-44,46-22-28-52(29-23-46)56(48-14-6-3-7-15-48)49-16-8-4-9-17-49)47-24-30-53(31-25-47)57(50-18-10-5-11-19-50)51-26-20-45(21-27-51)54-36-41-33-42(37-54)35-43(34-41)38-54/h3-11,14-31,40-44H,12-13,32-39H2,1-2H3.
What are the key properties of 4-[1-[4-(N-[4-(1-adamantyl)phenyl]anilino)phenyl]-3-propan-2-ylcyclohexyl]-N,N-diphenylaniline?
4-[1-[4-(N-[4-(1-adamantyl)phenyl]anilino)phenyl]-3-propan-2-ylcyclohexyl]-N,N-diphenylaniline has a molecular weight of 747.08 g/mol, XLogP of 15.23, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[4-(N-[4-(1-adamantyl)phenyl]anilino)phenyl]-3-propan-2-ylcyclohexyl]-N,N-diphenylaniline is sourced from PubChem (CID 171416310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).