N-[4-(1-adamantyl)phenyl]-4-cyclohexyl-N-[4-(1-phenylcycloheptyl)phenyl]aniline

C47H55N — CID 174254907

IUPACN-[4-(1-adamantyl)phenyl]-4-cyclohexyl-N-[4-(1-phenylcycloheptyl)phenyl]aniline
SMILESc1ccc(C2(c3ccc(N(c4ccc(C5CCCCC5)cc4)c4ccc(C56CC7CC(CC(C7)C5)C6)cc4)cc3)CCCCCC2)cc1
InChIInChI=1S/C47H55N/c1-2-10-28-47(27-9-1,41-13-7-4-8-14-41)42-19-25-45(26-20-42)48(43-21-15-39(16-22-43)38-11-5-3-6-12-38)44-23-17-40(18-24-44)46-32-35-29-36(33-46)31-37(30-35)34-46/h4,7-8,13-26,35-38H,1-3,5-6,9-12,27-34H2
InChIKeyGUKFSCWCPGDKIS-UHFFFAOYSA-N
MW633.96 g/mol
LogP13.31
Rot. Bonds7

About N-[4-(1-adamantyl)phenyl]-4-cyclohexyl-N-[4-(1-phenylcycloheptyl)phenyl]aniline

N-[4-(1-adamantyl)phenyl]-4-cyclohexyl-N-[4-(1-phenylcycloheptyl)phenyl]aniline (PubChem CID 174254907) has the molecular formula C47H55N and a molecular weight of 633.96 g/mol. Its IUPAC name is N-[4-(1-adamantyl)phenyl]-4-cyclohexyl-N-[4-(1-phenylcycloheptyl)phenyl]aniline.

Molecular Properties

Compound NameN-[4-(1-adamantyl)phenyl]-4-cyclohexyl-N-[4-(1-phenylcycloheptyl)phenyl]aniline
PubChem CID174254907
Molecular FormulaC47H55N
Molecular Weight633.96 g/mol
Exact Mass633.43
IUPAC NameN-[4-(1-adamantyl)phenyl]-4-cyclohexyl-N-[4-(1-phenylcycloheptyl)phenyl]aniline
SMILESc1ccc(C2(c3ccc(N(c4ccc(C5CCCCC5)cc4)c4ccc(C56CC7CC(CC(C7)C5)C6)cc4)cc3)CCCCCC2)cc1
InChIInChI=1S/C47H55N/c1-2-10-28-47(27-9-1,41-13-7-4-8-14-41)42-19-25-45(26-20-42)48(43-21-15-39(16-22-43)38-11-5-3-6-12-38)44-23-17-40(18-24-44)46-32-35-29-36(33-46)31-37(30-35)34-46/h4,7-8,13-26,35-38H,1-3,5-6,9-12,27-34H2
InChIKeyGUKFSCWCPGDKIS-UHFFFAOYSA-N
XLogP13.31
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500633.96
LogP ≤ 513.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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
4-cyclooctyl-N-[4-[1-[4-(N-[4-(4-cyclooctylphenyl)phenyl]anilino)phenyl]cyclohexyl]phenyl]-N-phenylaniline
CID 164800997
4-(4-cyclohexylphenyl)-N-[4-[1-[4-(N-[4-[4-(4-cyclohexylphenyl)phenyl]phenyl]anilino)phenyl]cyclohexyl]phenyl]-N-phenylaniline
CID 164800976
N-[4-(2-bicyclo[2.2.1]heptanyl)phenyl]-4-cyclohexyl-N-[4-(1-phenylcyclooctyl)phenyl]aniline
CID 174255106
N-[4-(1-adamantyl)phenyl]-N-(4-cyclohexylphenyl)-9-phenylcarbazol-2-amine
CID 159219717
N-[4-[1-[4-(N-(4-cyclohexylphenyl)anilino)phenyl]cyclohexyl]phenyl]-N-phenyldibenzothiophen-3-amine
CID 168810346
N-(4-cyclohexylphenyl)-N-[4-[1-[4-(N-phenylanilino)phenyl]cyclohexyl]phenyl]dibenzothiophen-3-amine
CID 168810336
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-cyclohexylphenyl)-9,9'-spirobi[fluorene]-4-amine
CID 159219718
N-[4-(1-adamantyl)phenyl]-N-(4-cyclohexylphenyl)-5-(9,9-dimethylfluoren-4-yl)-9,9-dimethylfluoren-2-amine
CID 171439101
N-[4-(1-adamantyl)phenyl]-N-(4-cyclohexylphenyl)-6-(9,9-dimethylfluoren-3-yl)-9,9-dimethylfluoren-2-amine
CID 171439076

Frequently Asked Questions

What is the IUPAC name of N-[4-(1-adamantyl)phenyl]-4-cyclohexyl-N-[4-(1-phenylcycloheptyl)phenyl]aniline?
The IUPAC name of N-[4-(1-adamantyl)phenyl]-4-cyclohexyl-N-[4-(1-phenylcycloheptyl)phenyl]aniline (CID 174254907) is N-[4-(1-adamantyl)phenyl]-4-cyclohexyl-N-[4-(1-phenylcycloheptyl)phenyl]aniline.
What is the SMILES notation for N-[4-(1-adamantyl)phenyl]-4-cyclohexyl-N-[4-(1-phenylcycloheptyl)phenyl]aniline?
The canonical SMILES for N-[4-(1-adamantyl)phenyl]-4-cyclohexyl-N-[4-(1-phenylcycloheptyl)phenyl]aniline is c1ccc(C2(c3ccc(N(c4ccc(C5CCCCC5)cc4)c4ccc(C56CC7CC(CC(C7)C5)C6)cc4)cc3)CCCCCC2)cc1.
What is the InChIKey of N-[4-(1-adamantyl)phenyl]-4-cyclohexyl-N-[4-(1-phenylcycloheptyl)phenyl]aniline?
The InChIKey is GUKFSCWCPGDKIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H55N/c1-2-10-28-47(27-9-1,41-13-7-4-8-14-41)42-19-25-45(26-20-42)48(43-21-15-39(16-22-43)38-11-5-3-6-12-38)44-23-17-40(18-24-44)46-32-35-29-36(33-46)31-37(30-35)34-46/h4,7-8,13-26,35-38H,1-3,5-6,9-12,27-34H2.
What are the key properties of N-[4-(1-adamantyl)phenyl]-4-cyclohexyl-N-[4-(1-phenylcycloheptyl)phenyl]aniline?
N-[4-(1-adamantyl)phenyl]-4-cyclohexyl-N-[4-(1-phenylcycloheptyl)phenyl]aniline has a molecular weight of 633.96 g/mol, XLogP of 13.31, 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-cyclohexyl-N-[4-(1-phenylcycloheptyl)phenyl]aniline is sourced from PubChem (CID 174254907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).