N-[4-(2-bicyclo[2.2.2]octanyl)phenyl]-N-(4-cyclohexylphenyl)-9,9-dimethyl-4-(2-phenylphenyl)fluoren-2-amine

C53H53N — CID 168739044

IUPACN-[4-(2-bicyclo[2.2.2]octanyl)phenyl]-N-(4-cyclohexylphenyl)-9,9-dimethyl-4-(2-phenylphenyl)fluoren-2-amine
SMILESCC1(C)c2ccccc2-c2c(-c3ccccc3-c3ccccc3)cc(N(c3ccc(C4CCCCC4)cc3)c3ccc(C4CC5CCC4CC5)cc3)cc21
InChIInChI=1S/C53H53N/c1-53(2)50-20-12-11-19-47(50)52-49(46-18-10-9-17-45(46)39-15-7-4-8-16-39)34-44(35-51(52)53)54(42-29-25-38(26-30-42)37-13-5-3-6-14-37)43-31-27-41(28-32-43)48-33-36-21-23-40(48)24-22-36/h4,7-12,15-20,25-32,34-37,40,48H,3,5-6,13-14,21-24,33H2,1-2H3
InChIKeyWUAHDFKHFRKJEU-UHFFFAOYSA-N
MW704.01 g/mol
LogP15.14
Rot. Bonds7

About N-[4-(2-bicyclo[2.2.2]octanyl)phenyl]-N-(4-cyclohexylphenyl)-9,9-dimethyl-4-(2-phenylphenyl)fluoren-2-amine

N-[4-(2-bicyclo[2.2.2]octanyl)phenyl]-N-(4-cyclohexylphenyl)-9,9-dimethyl-4-(2-phenylphenyl)fluoren-2-amine (PubChem CID 168739044) has the molecular formula C53H53N and a molecular weight of 704.01 g/mol. Its IUPAC name is N-[4-(2-bicyclo[2.2.2]octanyl)phenyl]-N-(4-cyclohexylphenyl)-9,9-dimethyl-4-(2-phenylphenyl)fluoren-2-amine.

Molecular Properties

Compound NameN-[4-(2-bicyclo[2.2.2]octanyl)phenyl]-N-(4-cyclohexylphenyl)-9,9-dimethyl-4-(2-phenylphenyl)fluoren-2-amine
PubChem CID168739044
Molecular FormulaC53H53N
Molecular Weight704.01 g/mol
Exact Mass703.42
IUPAC NameN-[4-(2-bicyclo[2.2.2]octanyl)phenyl]-N-(4-cyclohexylphenyl)-9,9-dimethyl-4-(2-phenylphenyl)fluoren-2-amine
SMILESCC1(C)c2ccccc2-c2c(-c3ccccc3-c3ccccc3)cc(N(c3ccc(C4CCCCC4)cc3)c3ccc(C4CC5CCC4CC5)cc3)cc21
InChIInChI=1S/C53H53N/c1-53(2)50-20-12-11-19-47(50)52-49(46-18-10-9-17-45(46)39-15-7-4-8-16-39)34-44(35-51(52)53)54(42-29-25-38(26-30-42)37-13-5-3-6-14-37)43-31-27-41(28-32-43)48-33-36-21-23-40(48)24-22-36/h4,7-12,15-20,25-32,34-37,40,48H,3,5-6,13-14,21-24,33H2,1-2H3
InChIKeyWUAHDFKHFRKJEU-UHFFFAOYSA-N
XLogP15.14
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500704.01
LogP ≤ 515.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N-[4-(2-bicyclo[2.2.1]heptanyl)phenyl]-N-(7-cyclohexylnaphthalen-2-yl)-9,9-dimethyl-4-(2-phenylphenyl)fluoren-2-amine
CID 168739443
N-[4-(2-bicyclo[2.2.1]heptanyl)phenyl]-N-[4-(2-cyclohexylphenyl)phenyl]-9,9-dimethyl-4-phenylfluoren-2-amine
CID 168739124
N-[4-(2-bicyclo[2.2.2]octanyl)phenyl]-N,5-bis(4-cyclohexylphenyl)-9,9-dimethylfluoren-2-amine
CID 168739127
N-[4-(2-bicyclo[2.2.1]heptanyl)phenyl]-4-(4-cyclohexylphenyl)-N-[3-(2-cyclohexylphenyl)phenyl]-9,9-dimethylfluoren-2-amine
CID 168738806
N-[4-(2-bicyclo[2.2.1]heptanyl)phenyl]-N-(3-cyclohexylnaphthalen-2-yl)-4-(4-cyclohexylphenyl)-9,9-dimethylfluoren-2-amine
CID 168739428
N-[4-(2-bicyclo[2.2.1]heptanyl)naphthalen-1-yl]-N-(4-cyclohexylphenyl)-9,9-dimethyl-4-(4-phenylphenyl)fluoren-2-amine
CID 168739230
N-[4-(2-bicyclo[2.2.1]heptanyl)phenyl]-N-[4-(2-cyclohexylphenyl)phenyl]-9,9-dimethyl-4,7-diphenylfluoren-2-amine
CID 168739032
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-[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-(7-cyclohexylnaphthalen-2-yl)-9,9-dimethyl-5-(4-phenylphenyl)fluoren-2-amine
CID 168738853
N-[4-(2-bicyclo[2.2.1]heptanyl)phenyl]-N-(4-cyclohexylphenyl)-7,7,12,12-tetramethylindeno[2,1-g]fluoren-9-amine
CID 170543143
N-[4-(2-bicyclo[2.2.1]heptanyl)phenyl]-N-(6-cyclohexylnaphthalen-1-yl)-9,9-dimethyl-4-naphthalen-2-ylfluoren-2-amine
CID 168739003

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-bicyclo[2.2.2]octanyl)phenyl]-N-(4-cyclohexylphenyl)-9,9-dimethyl-4-(2-phenylphenyl)fluoren-2-amine?
The IUPAC name of N-[4-(2-bicyclo[2.2.2]octanyl)phenyl]-N-(4-cyclohexylphenyl)-9,9-dimethyl-4-(2-phenylphenyl)fluoren-2-amine (CID 168739044) is N-[4-(2-bicyclo[2.2.2]octanyl)phenyl]-N-(4-cyclohexylphenyl)-9,9-dimethyl-4-(2-phenylphenyl)fluoren-2-amine.
What is the SMILES notation for N-[4-(2-bicyclo[2.2.2]octanyl)phenyl]-N-(4-cyclohexylphenyl)-9,9-dimethyl-4-(2-phenylphenyl)fluoren-2-amine?
The canonical SMILES for N-[4-(2-bicyclo[2.2.2]octanyl)phenyl]-N-(4-cyclohexylphenyl)-9,9-dimethyl-4-(2-phenylphenyl)fluoren-2-amine is CC1(C)c2ccccc2-c2c(-c3ccccc3-c3ccccc3)cc(N(c3ccc(C4CCCCC4)cc3)c3ccc(C4CC5CCC4CC5)cc3)cc21.
What is the InChIKey of N-[4-(2-bicyclo[2.2.2]octanyl)phenyl]-N-(4-cyclohexylphenyl)-9,9-dimethyl-4-(2-phenylphenyl)fluoren-2-amine?
The InChIKey is WUAHDFKHFRKJEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H53N/c1-53(2)50-20-12-11-19-47(50)52-49(46-18-10-9-17-45(46)39-15-7-4-8-16-39)34-44(35-51(52)53)54(42-29-25-38(26-30-42)37-13-5-3-6-14-37)43-31-27-41(28-32-43)48-33-36-21-23-40(48)24-22-36/h4,7-12,15-20,25-32,34-37,40,48H,3,5-6,13-14,21-24,33H2,1-2H3.
What are the key properties of N-[4-(2-bicyclo[2.2.2]octanyl)phenyl]-N-(4-cyclohexylphenyl)-9,9-dimethyl-4-(2-phenylphenyl)fluoren-2-amine?
N-[4-(2-bicyclo[2.2.2]octanyl)phenyl]-N-(4-cyclohexylphenyl)-9,9-dimethyl-4-(2-phenylphenyl)fluoren-2-amine has a molecular weight of 704.01 g/mol, XLogP of 15.14, 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[2.2.2]octanyl)phenyl]-N-(4-cyclohexylphenyl)-9,9-dimethyl-4-(2-phenylphenyl)fluoren-2-amine is sourced from PubChem (CID 168739044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).