N-[4-(1-adamantyl)phenyl]-4-(2-bicyclo[2.2.1]heptanyl)-N-[4-(1-phenylcyclohexyl)phenyl]aniline

C47H53N — CID 174254583

IUPACN-[4-(1-adamantyl)phenyl]-4-(2-bicyclo[2.2.1]heptanyl)-N-[4-(1-phenylcyclohexyl)phenyl]aniline
SMILESc1ccc(C2(c3ccc(N(c4ccc(C5CC6CCC5C6)cc4)c4ccc(C56CC7CC(CC(C7)C5)C6)cc4)cc3)CCCCC2)cc1
InChIInChI=1S/C47H53N/c1-3-7-40(8-4-1)47(23-5-2-6-24-47)41-15-21-44(22-16-41)48(42-17-11-37(12-18-42)45-29-33-9-10-38(45)28-33)43-19-13-39(14-20-43)46-30-34-25-35(31-46)27-36(26-34)32-46/h1,3-4,7-8,11-22,33-36,38,45H,2,5-6,9-10,23-32H2
InChIKeyDOWMLPBYUJIHIU-UHFFFAOYSA-N
MW631.95 g/mol
LogP12.78
Rot. Bonds7

About N-[4-(1-adamantyl)phenyl]-4-(2-bicyclo[2.2.1]heptanyl)-N-[4-(1-phenylcyclohexyl)phenyl]aniline

N-[4-(1-adamantyl)phenyl]-4-(2-bicyclo[2.2.1]heptanyl)-N-[4-(1-phenylcyclohexyl)phenyl]aniline (PubChem CID 174254583) has the molecular formula C47H53N and a molecular weight of 631.95 g/mol. Its IUPAC name is N-[4-(1-adamantyl)phenyl]-4-(2-bicyclo[2.2.1]heptanyl)-N-[4-(1-phenylcyclohexyl)phenyl]aniline.

Molecular Properties

Compound NameN-[4-(1-adamantyl)phenyl]-4-(2-bicyclo[2.2.1]heptanyl)-N-[4-(1-phenylcyclohexyl)phenyl]aniline
PubChem CID174254583
Molecular FormulaC47H53N
Molecular Weight631.95 g/mol
Exact Mass631.42
IUPAC NameN-[4-(1-adamantyl)phenyl]-4-(2-bicyclo[2.2.1]heptanyl)-N-[4-(1-phenylcyclohexyl)phenyl]aniline
SMILESc1ccc(C2(c3ccc(N(c4ccc(C5CC6CCC5C6)cc4)c4ccc(C56CC7CC(CC(C7)C5)C6)cc4)cc3)CCCCC2)cc1
InChIInChI=1S/C47H53N/c1-3-7-40(8-4-1)47(23-5-2-6-24-47)41-15-21-44(22-16-41)48(42-17-11-37(12-18-42)45-29-33-9-10-38(45)28-33)43-19-13-39(14-20-43)46-30-34-25-35(31-46)27-36(26-34)32-46/h1,3-4,7-8,11-22,33-36,38,45H,2,5-6,9-10,23-32H2
InChIKeyDOWMLPBYUJIHIU-UHFFFAOYSA-N
XLogP12.78
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500631.95
LogP ≤ 512.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze N-[4-(1-adamantyl)phenyl]-4-(2-bicyclo[2.2.1]heptanyl)-N-[4-(1-phenylcyclohexyl)phenyl]aniline with MolForge

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Related Compounds

N-[4-(2-bicyclo[2.2.1]heptanyl)phenyl]-4-cyclohexyl-N-[4-(1-phenylcyclooctyl)phenyl]aniline
CID 174255106
N-[4-(1-adamantyl)phenyl]-4-cyclohexyl-N-[4-(1-phenylcyclohexyl)phenyl]aniline
CID 174254574
N-[4-(1-adamantyl)phenyl]-4-cyclohexyl-N-[4-(1-phenylcycloheptyl)phenyl]aniline
CID 174254907
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
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]-N-[4-(2-bicyclo[2.2.1]heptanyl)phenyl]-9,9-dimethyl-5-phenylfluoren-2-amine
CID 168738714
4-[1-[4-(N-[4-(1-adamantyl)phenyl]anilino)phenyl]-3-propan-2-ylcyclohexyl]-N,N-diphenylaniline
CID 171416310
N-[4-(1-adamantyl)phenyl]-N-[4-(2-bicyclo[2.2.1]heptanyl)phenyl]-7,7-dimethylfluoreno[2,3-b][1]benzofuran-9-amine
CID 170543221
N-[4-(1-adamantyl)phenyl]-N-[4-(2-bicyclo[2.2.1]heptanyl)phenyl]-5,11,11-trimethylindeno[1,2-b]carbazol-9-amine
CID 170543069
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
N-[4-(1-adamantyl)phenyl]-N-[4-(2-bicyclo[2.2.1]heptanyl)phenyl]-9,14,14-trimethyl-9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaen-17-amine
CID 170543265
N-[4-(1-adamantyl)phenyl]-N-[4-(2-bicyclo[2.2.1]heptanyl)phenyl]-9,9-dimethyl-3-naphthalen-2-ylfluoren-2-amine
CID 168738626

Frequently Asked Questions

What is the IUPAC name of N-[4-(1-adamantyl)phenyl]-4-(2-bicyclo[2.2.1]heptanyl)-N-[4-(1-phenylcyclohexyl)phenyl]aniline?
The IUPAC name of N-[4-(1-adamantyl)phenyl]-4-(2-bicyclo[2.2.1]heptanyl)-N-[4-(1-phenylcyclohexyl)phenyl]aniline (CID 174254583) is N-[4-(1-adamantyl)phenyl]-4-(2-bicyclo[2.2.1]heptanyl)-N-[4-(1-phenylcyclohexyl)phenyl]aniline.
What is the SMILES notation for N-[4-(1-adamantyl)phenyl]-4-(2-bicyclo[2.2.1]heptanyl)-N-[4-(1-phenylcyclohexyl)phenyl]aniline?
The canonical SMILES for N-[4-(1-adamantyl)phenyl]-4-(2-bicyclo[2.2.1]heptanyl)-N-[4-(1-phenylcyclohexyl)phenyl]aniline is c1ccc(C2(c3ccc(N(c4ccc(C5CC6CCC5C6)cc4)c4ccc(C56CC7CC(CC(C7)C5)C6)cc4)cc3)CCCCC2)cc1.
What is the InChIKey of N-[4-(1-adamantyl)phenyl]-4-(2-bicyclo[2.2.1]heptanyl)-N-[4-(1-phenylcyclohexyl)phenyl]aniline?
The InChIKey is DOWMLPBYUJIHIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H53N/c1-3-7-40(8-4-1)47(23-5-2-6-24-47)41-15-21-44(22-16-41)48(42-17-11-37(12-18-42)45-29-33-9-10-38(45)28-33)43-19-13-39(14-20-43)46-30-34-25-35(31-46)27-36(26-34)32-46/h1,3-4,7-8,11-22,33-36,38,45H,2,5-6,9-10,23-32H2.
What are the key properties of N-[4-(1-adamantyl)phenyl]-4-(2-bicyclo[2.2.1]heptanyl)-N-[4-(1-phenylcyclohexyl)phenyl]aniline?
N-[4-(1-adamantyl)phenyl]-4-(2-bicyclo[2.2.1]heptanyl)-N-[4-(1-phenylcyclohexyl)phenyl]aniline has a molecular weight of 631.95 g/mol, XLogP of 12.78, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(1-adamantyl)phenyl]-4-(2-bicyclo[2.2.1]heptanyl)-N-[4-(1-phenylcyclohexyl)phenyl]aniline is sourced from PubChem (CID 174254583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).