N-[4-(1-bicyclo[2.2.1]heptanyl)phenyl]-N-(4-cyclohexylphenyl)-9,9-dimethyl-1,5-diphenylfluoren-2-amine

C52H51N — CID 168739064

IUPACN-[4-(1-bicyclo[2.2.1]heptanyl)phenyl]-N-(4-cyclohexylphenyl)-9,9-dimethyl-1,5-diphenylfluoren-2-amine
SMILESCC1(C)c2cccc(-c3ccccc3)c2-c2ccc(N(c3ccc(C4CCCCC4)cc3)c3ccc(C45CCC(CC4)C5)cc3)c(-c3ccccc3)c21
InChIInChI=1S/C52H51N/c1-51(2)46-20-12-19-44(39-15-8-4-9-16-39)49(46)45-29-30-47(48(50(45)51)40-17-10-5-11-18-40)53(42-25-21-38(22-26-42)37-13-6-3-7-14-37)43-27-23-41(24-28-43)52-33-31-36(35-52)32-34-52/h4-5,8-12,15-30,36-37H,3,6-7,13-14,31-35H2,1-2H3
InChIKeySVMKKESIOQUHFH-UHFFFAOYSA-N
MW689.99 g/mol
LogP14.68
Rot. Bonds7

About N-[4-(1-bicyclo[2.2.1]heptanyl)phenyl]-N-(4-cyclohexylphenyl)-9,9-dimethyl-1,5-diphenylfluoren-2-amine

N-[4-(1-bicyclo[2.2.1]heptanyl)phenyl]-N-(4-cyclohexylphenyl)-9,9-dimethyl-1,5-diphenylfluoren-2-amine (PubChem CID 168739064) has the molecular formula C52H51N and a molecular weight of 689.99 g/mol. Its IUPAC name is N-[4-(1-bicyclo[2.2.1]heptanyl)phenyl]-N-(4-cyclohexylphenyl)-9,9-dimethyl-1,5-diphenylfluoren-2-amine.

Molecular Properties

Compound NameN-[4-(1-bicyclo[2.2.1]heptanyl)phenyl]-N-(4-cyclohexylphenyl)-9,9-dimethyl-1,5-diphenylfluoren-2-amine
PubChem CID168739064
Molecular FormulaC52H51N
Molecular Weight689.99 g/mol
Exact Mass689.40
IUPAC NameN-[4-(1-bicyclo[2.2.1]heptanyl)phenyl]-N-(4-cyclohexylphenyl)-9,9-dimethyl-1,5-diphenylfluoren-2-amine
SMILESCC1(C)c2cccc(-c3ccccc3)c2-c2ccc(N(c3ccc(C4CCCCC4)cc3)c3ccc(C45CCC(CC4)C5)cc3)c(-c3ccccc3)c21
InChIInChI=1S/C52H51N/c1-51(2)46-20-12-19-44(39-15-8-4-9-16-39)49(46)45-29-30-47(48(50(45)51)40-17-10-5-11-18-40)53(42-25-21-38(22-26-42)37-13-6-3-7-14-37)43-27-23-41(24-28-43)52-33-31-36(35-52)32-34-52/h4-5,8-12,15-30,36-37H,3,6-7,13-14,31-35H2,1-2H3
InChIKeySVMKKESIOQUHFH-UHFFFAOYSA-N
XLogP14.68
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500689.99
LogP ≤ 514.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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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-bicyclo[2.2.1]heptanyl)phenyl]-N-(4-cyclohexylphenyl)-9,9-dimethyl-4,7-diphenylfluoren-2-amine
CID 168739269
N-[4-(1-bicyclo[2.2.1]heptanyl)phenyl]-N,3-bis(4-cyclohexylphenyl)-9,9-dimethylfluoren-2-amine
CID 168738726
9,9-dimethyl-1,5-diphenyl-N,N-bis(4-phenylphenyl)fluoren-2-amine
CID 170529416
N,N-bis(4-cyclohexylphenyl)-9,9-dimethyl-5-(4-phenylphenyl)fluoren-2-amine
CID 168738594
N-[4-(1-adamantyl)phenyl]-N-(4-cyclohexylphenyl)-5-(9,9-dimethylfluoren-4-yl)-9,9-dimethylfluoren-2-amine
CID 171439101
N-[4-(2-adamantyl)phenyl]-N-(4-cyclohexylphenyl)-9,9-dimethyl-1-(4-phenylphenyl)fluoren-2-amine
CID 168739157
N-[4-(2-bicyclo[2.2.1]heptanyl)phenyl]-N-(2-cyclohexylphenyl)-9,9-dimethyl-1,5-diphenylfluoren-2-amine
CID 168738645
N-[4-(1-bicyclo[2.2.1]heptanyl)phenyl]-9,9-dimethyl-N-[3-(8-phenylnaphthalen-1-yl)phenyl]fluoren-4-amine
CID 169028316
N-[4-[4-(2-bicyclo[2.2.1]heptanyl)phenyl]phenyl]-N-(4-cyclohexylphenyl)-9,9-dimethyl-1-phenylfluoren-2-amine
CID 168738478
N-[4-(2-bicyclo[2.2.1]heptanyl)phenyl]-N-[2-(2-cyclohexylphenyl)phenyl]-9,9-dimethyl-1,5-diphenylfluoren-2-amine
CID 168739187
5-N-(4-cyclooctylphenyl)-5-N-(9,9-dimethyl-5-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 170660710

Frequently Asked Questions

What is the IUPAC name of N-[4-(1-bicyclo[2.2.1]heptanyl)phenyl]-N-(4-cyclohexylphenyl)-9,9-dimethyl-1,5-diphenylfluoren-2-amine?
The IUPAC name of N-[4-(1-bicyclo[2.2.1]heptanyl)phenyl]-N-(4-cyclohexylphenyl)-9,9-dimethyl-1,5-diphenylfluoren-2-amine (CID 168739064) is N-[4-(1-bicyclo[2.2.1]heptanyl)phenyl]-N-(4-cyclohexylphenyl)-9,9-dimethyl-1,5-diphenylfluoren-2-amine.
What is the SMILES notation for N-[4-(1-bicyclo[2.2.1]heptanyl)phenyl]-N-(4-cyclohexylphenyl)-9,9-dimethyl-1,5-diphenylfluoren-2-amine?
The canonical SMILES for N-[4-(1-bicyclo[2.2.1]heptanyl)phenyl]-N-(4-cyclohexylphenyl)-9,9-dimethyl-1,5-diphenylfluoren-2-amine is CC1(C)c2cccc(-c3ccccc3)c2-c2ccc(N(c3ccc(C4CCCCC4)cc3)c3ccc(C45CCC(CC4)C5)cc3)c(-c3ccccc3)c21.
What is the InChIKey of N-[4-(1-bicyclo[2.2.1]heptanyl)phenyl]-N-(4-cyclohexylphenyl)-9,9-dimethyl-1,5-diphenylfluoren-2-amine?
The InChIKey is SVMKKESIOQUHFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H51N/c1-51(2)46-20-12-19-44(39-15-8-4-9-16-39)49(46)45-29-30-47(48(50(45)51)40-17-10-5-11-18-40)53(42-25-21-38(22-26-42)37-13-6-3-7-14-37)43-27-23-41(24-28-43)52-33-31-36(35-52)32-34-52/h4-5,8-12,15-30,36-37H,3,6-7,13-14,31-35H2,1-2H3.
What are the key properties of N-[4-(1-bicyclo[2.2.1]heptanyl)phenyl]-N-(4-cyclohexylphenyl)-9,9-dimethyl-1,5-diphenylfluoren-2-amine?
N-[4-(1-bicyclo[2.2.1]heptanyl)phenyl]-N-(4-cyclohexylphenyl)-9,9-dimethyl-1,5-diphenylfluoren-2-amine has a molecular weight of 689.99 g/mol, XLogP of 14.68, 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-(4-cyclohexylphenyl)-9,9-dimethyl-1,5-diphenylfluoren-2-amine is sourced from PubChem (CID 168739064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).