N-[4-(1-bicyclo[2.2.1]heptanyl)phenyl]-N,3-bis(4-cyclohexylphenyl)-9,9-dimethylfluoren-2-amine

C52H57N — CID 168738726

IUPACN-[4-(1-bicyclo[2.2.1]heptanyl)phenyl]-N,3-bis(4-cyclohexylphenyl)-9,9-dimethylfluoren-2-amine
SMILESCC1(C)c2ccccc2-c2cc(-c3ccc(C4CCCCC4)cc3)c(N(c3ccc(C4CCCCC4)cc3)c3ccc(C45CCC(CC4)C5)cc3)cc21
InChIInChI=1S/C52H57N/c1-51(2)48-16-10-9-15-45(48)47-33-46(41-19-17-39(18-20-41)37-11-5-3-6-12-37)50(34-49(47)51)53(43-25-21-40(22-26-43)38-13-7-4-8-14-38)44-27-23-42(24-28-44)52-31-29-36(35-52)30-32-52/h9-10,15-28,33-34,36-38H,3-8,11-14,29-32,35H2,1-2H3
InChIKeyASZOFZJWCIPXNV-UHFFFAOYSA-N
MW696.04 g/mol
LogP15.06
Rot. Bonds7

About N-[4-(1-bicyclo[2.2.1]heptanyl)phenyl]-N,3-bis(4-cyclohexylphenyl)-9,9-dimethylfluoren-2-amine

N-[4-(1-bicyclo[2.2.1]heptanyl)phenyl]-N,3-bis(4-cyclohexylphenyl)-9,9-dimethylfluoren-2-amine (PubChem CID 168738726) has the molecular formula C52H57N and a molecular weight of 696.04 g/mol. Its IUPAC name is N-[4-(1-bicyclo[2.2.1]heptanyl)phenyl]-N,3-bis(4-cyclohexylphenyl)-9,9-dimethylfluoren-2-amine.

Molecular Properties

Compound NameN-[4-(1-bicyclo[2.2.1]heptanyl)phenyl]-N,3-bis(4-cyclohexylphenyl)-9,9-dimethylfluoren-2-amine
PubChem CID168738726
Molecular FormulaC52H57N
Molecular Weight696.04 g/mol
Exact Mass695.45
IUPAC NameN-[4-(1-bicyclo[2.2.1]heptanyl)phenyl]-N,3-bis(4-cyclohexylphenyl)-9,9-dimethylfluoren-2-amine
SMILESCC1(C)c2ccccc2-c2cc(-c3ccc(C4CCCCC4)cc3)c(N(c3ccc(C4CCCCC4)cc3)c3ccc(C45CCC(CC4)C5)cc3)cc21
InChIInChI=1S/C52H57N/c1-51(2)48-16-10-9-15-45(48)47-33-46(41-19-17-39(18-20-41)37-11-5-3-6-12-37)50(34-49(47)51)53(43-25-21-40(22-26-43)38-13-7-4-8-14-38)44-27-23-42(24-28-44)52-31-29-36(35-52)30-32-52/h9-10,15-28,33-34,36-38H,3-8,11-14,29-32,35H2,1-2H3
InChIKeyASZOFZJWCIPXNV-UHFFFAOYSA-N
XLogP15.06
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500696.04
LogP ≤ 515.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze N-[4-(1-bicyclo[2.2.1]heptanyl)phenyl]-N,3-bis(4-cyclohexylphenyl)-9,9-dimethylfluoren-2-amine with MolForge

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Related Compounds

N-[4-(1-bicyclo[2.2.1]heptanyl)phenyl]-N-(4-cyclohexylphenyl)-9,9-dimethyl-1-(2-phenylphenyl)fluoren-2-amine
CID 168738841
N-[4-(1-adamantyl)phenyl]-N-(4-cyclohexylphenyl)-6-(9,9-dimethylfluoren-3-yl)-9,9-dimethylfluoren-2-amine
CID 171439076
N-(4-cyclohexylphenyl)-9,9-dimethyl-3-(4-phenylphenyl)-N-(4-triphenylsilylphenyl)fluoren-2-amine
CID 168739067
N,N-bis(4-cyclohexylphenyl)-9,9-dimethyl-3,7-diphenylfluoren-2-amine
CID 168738709
N-[4-[4-(2-bicyclo[2.2.1]heptanyl)phenyl]phenyl]-N-(4-cyclohexylphenyl)-9,9-dimethyl-3-phenylfluoren-2-amine
CID 168738530
N-[4-(1-bicyclo[2.2.1]heptanyl)phenyl]-N-(4-cyclohexylphenyl)-9,9-dimethyl-1,5-diphenylfluoren-2-amine
CID 168739064
5-N,11-N-bis(4-cyclohexylphenyl)-5-N-(9,9-dimethyl-3-phenylfluoren-2-yl)-11-N-phenyltricyclo[8.2.2.24,7]hexadeca-1(12),4,6,10,13,15-hexaene-5,11-diamine
CID 170660890
5-N-(4-cyclooctylphenyl)-5-N-(9,9-dimethyl-3-phenylfluoren-2-yl)-11-N,11-N-diphenyltricyclo[8.2.2.24,7]hexadeca-1(12),4,6,10,13,15-hexaene-5,11-diamine
CID 170660802
N-[4-(1-bicyclo[2.2.1]heptanyl)phenyl]-N-(4-cyclohexylphenyl)-9,9-dimethyl-4,7-diphenylfluoren-2-amine
CID 168739269
N-(4-cyclohexylphenyl)-N-[3-(9,9-dimethylfluoren-2-yl)naphthalen-2-yl]-9,9-dimethylfluoren-2-amine
CID 164774121
N-[4-(4-cyclohexylphenyl)phenyl]-N-[4-[2,5-diphenyl-4-[4-(N-(4-phenylphenyl)anilino)phenyl]phenyl]phenyl]-9,9-dimethylfluoren-2-amine
CID 176611487
N-[4-(1-adamantyl)phenyl]-N-(4-cyclohexylphenyl)-5-(9,9-dimethylfluoren-4-yl)-9,9-dimethylfluoren-2-amine
CID 171439101

Frequently Asked Questions

What is the IUPAC name of N-[4-(1-bicyclo[2.2.1]heptanyl)phenyl]-N,3-bis(4-cyclohexylphenyl)-9,9-dimethylfluoren-2-amine?
The IUPAC name of N-[4-(1-bicyclo[2.2.1]heptanyl)phenyl]-N,3-bis(4-cyclohexylphenyl)-9,9-dimethylfluoren-2-amine (CID 168738726) is N-[4-(1-bicyclo[2.2.1]heptanyl)phenyl]-N,3-bis(4-cyclohexylphenyl)-9,9-dimethylfluoren-2-amine.
What is the SMILES notation for N-[4-(1-bicyclo[2.2.1]heptanyl)phenyl]-N,3-bis(4-cyclohexylphenyl)-9,9-dimethylfluoren-2-amine?
The canonical SMILES for N-[4-(1-bicyclo[2.2.1]heptanyl)phenyl]-N,3-bis(4-cyclohexylphenyl)-9,9-dimethylfluoren-2-amine is CC1(C)c2ccccc2-c2cc(-c3ccc(C4CCCCC4)cc3)c(N(c3ccc(C4CCCCC4)cc3)c3ccc(C45CCC(CC4)C5)cc3)cc21.
What is the InChIKey of N-[4-(1-bicyclo[2.2.1]heptanyl)phenyl]-N,3-bis(4-cyclohexylphenyl)-9,9-dimethylfluoren-2-amine?
The InChIKey is ASZOFZJWCIPXNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H57N/c1-51(2)48-16-10-9-15-45(48)47-33-46(41-19-17-39(18-20-41)37-11-5-3-6-12-37)50(34-49(47)51)53(43-25-21-40(22-26-43)38-13-7-4-8-14-38)44-27-23-42(24-28-44)52-31-29-36(35-52)30-32-52/h9-10,15-28,33-34,36-38H,3-8,11-14,29-32,35H2,1-2H3.
What are the key properties of N-[4-(1-bicyclo[2.2.1]heptanyl)phenyl]-N,3-bis(4-cyclohexylphenyl)-9,9-dimethylfluoren-2-amine?
N-[4-(1-bicyclo[2.2.1]heptanyl)phenyl]-N,3-bis(4-cyclohexylphenyl)-9,9-dimethylfluoren-2-amine has a molecular weight of 696.04 g/mol, XLogP of 15.06, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(1-bicyclo[2.2.1]heptanyl)phenyl]-N,3-bis(4-cyclohexylphenyl)-9,9-dimethylfluoren-2-amine is sourced from PubChem (CID 168738726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).