N-[4-(2-bicyclo[2.2.1]heptanyl)phenyl]-4-cyclohexyl-N-[4-(1-phenylcyclooctyl)phenyl]aniline

C45H53N — CID 174255106

IUPACN-[4-(2-bicyclo[2.2.1]heptanyl)phenyl]-4-cyclohexyl-N-[4-(1-phenylcyclooctyl)phenyl]aniline
SMILESc1ccc(C2(c3ccc(N(c4ccc(C5CCCCC5)cc4)c4ccc(C5CC6CCC5C6)cc4)cc3)CCCCCCC2)cc1
InChIInChI=1S/C45H53N/c1-2-10-30-45(31-11-3-1,39-14-8-5-9-15-39)40-22-28-43(29-23-40)46(41-24-18-36(19-25-41)35-12-6-4-7-13-35)42-26-20-37(21-27-42)44-33-34-16-17-38(44)32-34/h5,8-9,14-15,18-29,34-35,38,44H,1-4,6-7,10-13,16-17,30-33H2
InChIKeyURXZIQMWSZXQCU-UHFFFAOYSA-N
MW607.93 g/mol
LogP13.14
Rot. Bonds7

About N-[4-(2-bicyclo[2.2.1]heptanyl)phenyl]-4-cyclohexyl-N-[4-(1-phenylcyclooctyl)phenyl]aniline

N-[4-(2-bicyclo[2.2.1]heptanyl)phenyl]-4-cyclohexyl-N-[4-(1-phenylcyclooctyl)phenyl]aniline (PubChem CID 174255106) has the molecular formula C45H53N and a molecular weight of 607.93 g/mol. Its IUPAC name is N-[4-(2-bicyclo[2.2.1]heptanyl)phenyl]-4-cyclohexyl-N-[4-(1-phenylcyclooctyl)phenyl]aniline.

Molecular Properties

Compound NameN-[4-(2-bicyclo[2.2.1]heptanyl)phenyl]-4-cyclohexyl-N-[4-(1-phenylcyclooctyl)phenyl]aniline
PubChem CID174255106
Molecular FormulaC45H53N
Molecular Weight607.93 g/mol
Exact Mass607.42
IUPAC NameN-[4-(2-bicyclo[2.2.1]heptanyl)phenyl]-4-cyclohexyl-N-[4-(1-phenylcyclooctyl)phenyl]aniline
SMILESc1ccc(C2(c3ccc(N(c4ccc(C5CCCCC5)cc4)c4ccc(C5CC6CCC5C6)cc4)cc3)CCCCCCC2)cc1
InChIInChI=1S/C45H53N/c1-2-10-30-45(31-11-3-1,39-14-8-5-9-15-39)40-22-28-43(29-23-40)46(41-24-18-36(19-25-41)35-12-6-4-7-13-35)42-26-20-37(21-27-42)44-33-34-16-17-38(44)32-34/h5,8-9,14-15,18-29,34-35,38,44H,1-4,6-7,10-13,16-17,30-33H2
InChIKeyURXZIQMWSZXQCU-UHFFFAOYSA-N
XLogP13.14
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500607.93
LogP ≤ 513.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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

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Related Compounds

N-[4-(1-adamantyl)phenyl]-4-(2-bicyclo[2.2.1]heptanyl)-N-[4-(1-phenylcyclohexyl)phenyl]aniline
CID 174254583
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
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
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-(2-bicyclo[2.2.1]heptanyl)phenyl]-N-(4-cyclohexylphenyl)-9,9-dimethyl-6-phenylfluoren-2-amine
CID 168739466
N-[4-[4-(2-bicyclo[2.2.1]heptanyl)phenyl]phenyl]-N-(4-cyclohexylphenyl)-9,9-dimethyl-6-phenylfluoren-2-amine
CID 168739015
N-[4-[4-(2-bicyclo[2.2.1]heptanyl)phenyl]phenyl]-N-(4-cyclohexylphenyl)-9,9-dimethyl-8-(2-phenylphenyl)fluoren-2-amine
CID 168738743
N-[4-(2-bicyclo[2.2.1]heptanyl)phenyl]-N-[4-(3-cyclohexylphenyl)phenyl]-9,9-dimethyl-7-(4-phenylphenyl)fluoren-2-amine
CID 168738973
N-(4-cyclohexylphenyl)-N-[4-[1-[4-(N-phenylanilino)phenyl]cyclohexyl]phenyl]dibenzothiophen-3-amine
CID 168810336
N-[4-[1-[4-(N-(4-cyclohexylphenyl)anilino)phenyl]cyclohexyl]phenyl]-N-phenyldibenzothiophen-3-amine
CID 168810346

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-bicyclo[2.2.1]heptanyl)phenyl]-4-cyclohexyl-N-[4-(1-phenylcyclooctyl)phenyl]aniline?
The IUPAC name of N-[4-(2-bicyclo[2.2.1]heptanyl)phenyl]-4-cyclohexyl-N-[4-(1-phenylcyclooctyl)phenyl]aniline (CID 174255106) is N-[4-(2-bicyclo[2.2.1]heptanyl)phenyl]-4-cyclohexyl-N-[4-(1-phenylcyclooctyl)phenyl]aniline.
What is the SMILES notation for N-[4-(2-bicyclo[2.2.1]heptanyl)phenyl]-4-cyclohexyl-N-[4-(1-phenylcyclooctyl)phenyl]aniline?
The canonical SMILES for N-[4-(2-bicyclo[2.2.1]heptanyl)phenyl]-4-cyclohexyl-N-[4-(1-phenylcyclooctyl)phenyl]aniline is c1ccc(C2(c3ccc(N(c4ccc(C5CCCCC5)cc4)c4ccc(C5CC6CCC5C6)cc4)cc3)CCCCCCC2)cc1.
What is the InChIKey of N-[4-(2-bicyclo[2.2.1]heptanyl)phenyl]-4-cyclohexyl-N-[4-(1-phenylcyclooctyl)phenyl]aniline?
The InChIKey is URXZIQMWSZXQCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H53N/c1-2-10-30-45(31-11-3-1,39-14-8-5-9-15-39)40-22-28-43(29-23-40)46(41-24-18-36(19-25-41)35-12-6-4-7-13-35)42-26-20-37(21-27-42)44-33-34-16-17-38(44)32-34/h5,8-9,14-15,18-29,34-35,38,44H,1-4,6-7,10-13,16-17,30-33H2.
What are the key properties of N-[4-(2-bicyclo[2.2.1]heptanyl)phenyl]-4-cyclohexyl-N-[4-(1-phenylcyclooctyl)phenyl]aniline?
N-[4-(2-bicyclo[2.2.1]heptanyl)phenyl]-4-cyclohexyl-N-[4-(1-phenylcyclooctyl)phenyl]aniline has a molecular weight of 607.93 g/mol, XLogP of 13.14, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-bicyclo[2.2.1]heptanyl)phenyl]-4-cyclohexyl-N-[4-(1-phenylcyclooctyl)phenyl]aniline is sourced from PubChem (CID 174255106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).