4-(2-bicyclo[2.2.1]heptanyl)-N-phenyl-N-[4-[1-[4-(N-phenylanilino)phenyl]-3-propan-2-ylcyclohexyl]phenyl]aniline

C52H54N2 — CID 171416397

IUPAC4-(2-bicyclo[2.2.1]heptanyl)-N-phenyl-N-[4-[1-[4-(N-phenylanilino)phenyl]-3-propan-2-ylcyclohexyl]phenyl]aniline
SMILESCC(C)C1CCCC(c2ccc(N(c3ccccc3)c3ccccc3)cc2)(c2ccc(N(c3ccccc3)c3ccc(C4CC5CCC4C5)cc3)cc2)C1
InChIInChI=1S/C52H54N2/c1-38(2)42-13-12-34-52(37-42,43-24-30-49(31-25-43)53(45-14-6-3-7-15-45)46-16-8-4-9-17-46)44-26-32-50(33-27-44)54(47-18-10-5-11-19-47)48-28-22-40(23-29-48)51-36-39-20-21-41(51)35-39/h3-11,14-19,22-33,38-39,41-42,51H,12-13,20-21,34-37H2,1-2H3
InChIKeyAIHXYYIMIUNCKN-UHFFFAOYSA-N
MW707.02 g/mol
LogP14.66
Rot. Bonds10

About 4-(2-bicyclo[2.2.1]heptanyl)-N-phenyl-N-[4-[1-[4-(N-phenylanilino)phenyl]-3-propan-2-ylcyclohexyl]phenyl]aniline

4-(2-bicyclo[2.2.1]heptanyl)-N-phenyl-N-[4-[1-[4-(N-phenylanilino)phenyl]-3-propan-2-ylcyclohexyl]phenyl]aniline (PubChem CID 171416397) has the molecular formula C52H54N2 and a molecular weight of 707.02 g/mol. Its IUPAC name is 4-(2-bicyclo[2.2.1]heptanyl)-N-phenyl-N-[4-[1-[4-(N-phenylanilino)phenyl]-3-propan-2-ylcyclohexyl]phenyl]aniline.

Molecular Properties

Compound Name4-(2-bicyclo[2.2.1]heptanyl)-N-phenyl-N-[4-[1-[4-(N-phenylanilino)phenyl]-3-propan-2-ylcyclohexyl]phenyl]aniline
PubChem CID171416397
Molecular FormulaC52H54N2
Molecular Weight707.02 g/mol
Exact Mass706.43
IUPAC Name4-(2-bicyclo[2.2.1]heptanyl)-N-phenyl-N-[4-[1-[4-(N-phenylanilino)phenyl]-3-propan-2-ylcyclohexyl]phenyl]aniline
SMILESCC(C)C1CCCC(c2ccc(N(c3ccccc3)c3ccccc3)cc2)(c2ccc(N(c3ccccc3)c3ccc(C4CC5CCC4C5)cc3)cc2)C1
InChIInChI=1S/C52H54N2/c1-38(2)42-13-12-34-52(37-42,43-24-30-49(31-25-43)53(45-14-6-3-7-15-45)46-16-8-4-9-17-46)44-26-32-50(33-27-44)54(47-18-10-5-11-19-47)48-28-22-40(23-29-48)51-36-39-20-21-41(51)35-39/h3-11,14-19,22-33,38-39,41-42,51H,12-13,20-21,34-37H2,1-2H3
InChIKeyAIHXYYIMIUNCKN-UHFFFAOYSA-N
XLogP14.66
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500707.02
LogP ≤ 514.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 4-(2-bicyclo[2.2.1]heptanyl)-N-phenyl-N-[4-[1-[4-(N-phenylanilino)phenyl]-3-propan-2-ylcyclohexyl]phenyl]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

4-[1-[4-(N-[4-(1-adamantyl)phenyl]anilino)phenyl]-3-propan-2-ylcyclohexyl]-N,N-diphenylaniline
CID 171416310
N-[4-(1-adamantyl)phenyl]-4-(2-bicyclo[2.2.1]heptanyl)-N-[4-(1-phenylcyclohexyl)phenyl]aniline
CID 174254583
N-[4-(2-bicyclo[2.2.1]heptanyl)phenyl]-4-cyclohexyl-N-[4-(1-phenylcyclooctyl)phenyl]aniline
CID 174255106
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
N-[4-(1-adamantyl)phenyl]-N-[4-(2-bicyclo[2.2.1]heptanyl)phenyl]-12',12'-dimethylspiro[cyclopentane-1,6'-indeno[1,2-b]fluorene]-2'-amine
CID 170543114
(1S,4R)-2-phenylbicyclo[2.2.1]heptane
CID 10965003
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-(1-adamantyl)phenyl]-N-[4-(2-bicyclo[2.2.1]heptanyl)phenyl]-9,9-dimethyl-5-phenylfluoren-2-amine
CID 168738714
N-[4-[4-(2-bicyclo[2.2.1]heptanyl)phenyl]phenyl]-N-(4-naphthalen-1-ylphenyl)-4-phenylaniline
CID 170179842
N-[4-(2-bicyclo[2.2.1]heptanyl)phenyl]-N-(3-cyclohexylphenyl)-9,9-dimethylfluoren-2-amine
CID 168738501
N-[4-(2-bicyclo[2.2.1]heptanyl)phenyl]-N-(3-cyclohexylphenyl)-9,9-dimethyl-8-phenylfluoren-2-amine
CID 168739480
5-N-[4-(1-adamantyl)phenyl]-11-N-[4-(2-bicyclo[2.2.1]heptanyl)phenyl]-5-N-(9,9-dimethylfluoren-2-yl)-11-N-phenyltricyclo[8.2.2.24,7]hexadeca-1(12),4,6,10,13,15-hexaene-5,11-diamine
CID 170660747

Frequently Asked Questions

What is the IUPAC name of 4-(2-bicyclo[2.2.1]heptanyl)-N-phenyl-N-[4-[1-[4-(N-phenylanilino)phenyl]-3-propan-2-ylcyclohexyl]phenyl]aniline?
The IUPAC name of 4-(2-bicyclo[2.2.1]heptanyl)-N-phenyl-N-[4-[1-[4-(N-phenylanilino)phenyl]-3-propan-2-ylcyclohexyl]phenyl]aniline (CID 171416397) is 4-(2-bicyclo[2.2.1]heptanyl)-N-phenyl-N-[4-[1-[4-(N-phenylanilino)phenyl]-3-propan-2-ylcyclohexyl]phenyl]aniline.
What is the SMILES notation for 4-(2-bicyclo[2.2.1]heptanyl)-N-phenyl-N-[4-[1-[4-(N-phenylanilino)phenyl]-3-propan-2-ylcyclohexyl]phenyl]aniline?
The canonical SMILES for 4-(2-bicyclo[2.2.1]heptanyl)-N-phenyl-N-[4-[1-[4-(N-phenylanilino)phenyl]-3-propan-2-ylcyclohexyl]phenyl]aniline is CC(C)C1CCCC(c2ccc(N(c3ccccc3)c3ccccc3)cc2)(c2ccc(N(c3ccccc3)c3ccc(C4CC5CCC4C5)cc3)cc2)C1.
What is the InChIKey of 4-(2-bicyclo[2.2.1]heptanyl)-N-phenyl-N-[4-[1-[4-(N-phenylanilino)phenyl]-3-propan-2-ylcyclohexyl]phenyl]aniline?
The InChIKey is AIHXYYIMIUNCKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H54N2/c1-38(2)42-13-12-34-52(37-42,43-24-30-49(31-25-43)53(45-14-6-3-7-15-45)46-16-8-4-9-17-46)44-26-32-50(33-27-44)54(47-18-10-5-11-19-47)48-28-22-40(23-29-48)51-36-39-20-21-41(51)35-39/h3-11,14-19,22-33,38-39,41-42,51H,12-13,20-21,34-37H2,1-2H3.
What are the key properties of 4-(2-bicyclo[2.2.1]heptanyl)-N-phenyl-N-[4-[1-[4-(N-phenylanilino)phenyl]-3-propan-2-ylcyclohexyl]phenyl]aniline?
4-(2-bicyclo[2.2.1]heptanyl)-N-phenyl-N-[4-[1-[4-(N-phenylanilino)phenyl]-3-propan-2-ylcyclohexyl]phenyl]aniline has a molecular weight of 707.02 g/mol, XLogP of 14.66, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-bicyclo[2.2.1]heptanyl)-N-phenyl-N-[4-[1-[4-(N-phenylanilino)phenyl]-3-propan-2-ylcyclohexyl]phenyl]aniline is sourced from PubChem (CID 171416397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).