N-[4-(2-adamantyl)phenyl]-N-(4-cyclohexylphenyl)-9,9-dimethyl-1-(4-phenylphenyl)fluoren-2-amine

C55H55N — CID 168739157

IUPACN-[4-(2-adamantyl)phenyl]-N-(4-cyclohexylphenyl)-9,9-dimethyl-1-(4-phenylphenyl)fluoren-2-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccc(C4CCCCC4)cc3)c3ccc(C4C5CC6CC(C5)CC4C6)cc3)c(-c3ccc(-c4ccccc4)cc3)c21
InChIInChI=1S/C55H55N/c1-55(2)50-16-10-9-15-48(50)49-29-30-51(53(54(49)55)43-19-17-40(18-20-43)38-11-5-3-6-12-38)56(46-25-21-41(22-26-46)39-13-7-4-8-14-39)47-27-23-42(24-28-47)52-44-32-36-31-37(34-44)35-45(52)33-36/h3,5-6,9-12,15-30,36-37,39,44-45,52H,4,7-8,13-14,31-35H2,1-2H3
InChIKeyCMYUOROTESDACV-UHFFFAOYSA-N
MW730.05 g/mol
LogP15.38
Rot. Bonds7

About N-[4-(2-adamantyl)phenyl]-N-(4-cyclohexylphenyl)-9,9-dimethyl-1-(4-phenylphenyl)fluoren-2-amine

N-[4-(2-adamantyl)phenyl]-N-(4-cyclohexylphenyl)-9,9-dimethyl-1-(4-phenylphenyl)fluoren-2-amine (PubChem CID 168739157) has the molecular formula C55H55N and a molecular weight of 730.05 g/mol. Its IUPAC name is N-[4-(2-adamantyl)phenyl]-N-(4-cyclohexylphenyl)-9,9-dimethyl-1-(4-phenylphenyl)fluoren-2-amine.

Molecular Properties

Compound NameN-[4-(2-adamantyl)phenyl]-N-(4-cyclohexylphenyl)-9,9-dimethyl-1-(4-phenylphenyl)fluoren-2-amine
PubChem CID168739157
Molecular FormulaC55H55N
Molecular Weight730.05 g/mol
Exact Mass729.43
IUPAC NameN-[4-(2-adamantyl)phenyl]-N-(4-cyclohexylphenyl)-9,9-dimethyl-1-(4-phenylphenyl)fluoren-2-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccc(C4CCCCC4)cc3)c3ccc(C4C5CC6CC(C5)CC4C6)cc3)c(-c3ccc(-c4ccccc4)cc3)c21
InChIInChI=1S/C55H55N/c1-55(2)50-16-10-9-15-48(50)49-29-30-51(53(54(49)55)43-19-17-40(18-20-43)38-11-5-3-6-12-38)56(46-25-21-41(22-26-46)39-13-7-4-8-14-39)47-27-23-42(24-28-47)52-44-32-36-31-37(34-44)35-45(52)33-36/h3,5-6,9-12,15-30,36-37,39,44-45,52H,4,7-8,13-14,31-35H2,1-2H3
InChIKeyCMYUOROTESDACV-UHFFFAOYSA-N
XLogP15.38
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500730.05
LogP ≤ 515.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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-adamantyl)phenyl]-N-(4-cyclohexylphenyl)-9,9-dimethyl-1-naphthalen-1-ylfluoren-2-amine
CID 168739114
N-[4-(4-cyclohexylphenyl)phenyl]-8-(9,9-dimethylfluoren-4-yl)-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
CID 171439072
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-(4-cyclohexylphenyl)phenyl]-N-(9,9-dimethylfluoren-4-yl)-9,9-dimethylfluoren-2-amine
CID 165384788
N-(4-cyclohexylphenyl)-9,9-dimethyl-N-[4-[2-phenyl-6-(3-phenylphenyl)phenyl]phenyl]fluoren-2-amine
CID 168771754
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-(1-bicyclo[2.2.1]heptanyl)phenyl]-N-(4-cyclohexylphenyl)-9,9-dimethyl-1,5-diphenylfluoren-2-amine
CID 168739064
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-cyclohexylphenyl)-9,9-dimethyl-N-[4-(2,3,5,6-tetraphenylphenyl)phenyl]fluoren-2-amine
CID 168771783
N-[4-(2-bicyclo[2.2.1]heptanyl)phenyl]-N-(2-cyclohexylphenyl)-9,9-dimethyl-1,5-diphenylfluoren-2-amine
CID 168738645

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-adamantyl)phenyl]-N-(4-cyclohexylphenyl)-9,9-dimethyl-1-(4-phenylphenyl)fluoren-2-amine?
The IUPAC name of N-[4-(2-adamantyl)phenyl]-N-(4-cyclohexylphenyl)-9,9-dimethyl-1-(4-phenylphenyl)fluoren-2-amine (CID 168739157) is N-[4-(2-adamantyl)phenyl]-N-(4-cyclohexylphenyl)-9,9-dimethyl-1-(4-phenylphenyl)fluoren-2-amine.
What is the SMILES notation for N-[4-(2-adamantyl)phenyl]-N-(4-cyclohexylphenyl)-9,9-dimethyl-1-(4-phenylphenyl)fluoren-2-amine?
The canonical SMILES for N-[4-(2-adamantyl)phenyl]-N-(4-cyclohexylphenyl)-9,9-dimethyl-1-(4-phenylphenyl)fluoren-2-amine is CC1(C)c2ccccc2-c2ccc(N(c3ccc(C4CCCCC4)cc3)c3ccc(C4C5CC6CC(C5)CC4C6)cc3)c(-c3ccc(-c4ccccc4)cc3)c21.
What is the InChIKey of N-[4-(2-adamantyl)phenyl]-N-(4-cyclohexylphenyl)-9,9-dimethyl-1-(4-phenylphenyl)fluoren-2-amine?
The InChIKey is CMYUOROTESDACV-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H55N/c1-55(2)50-16-10-9-15-48(50)49-29-30-51(53(54(49)55)43-19-17-40(18-20-43)38-11-5-3-6-12-38)56(46-25-21-41(22-26-46)39-13-7-4-8-14-39)47-27-23-42(24-28-47)52-44-32-36-31-37(34-44)35-45(52)33-36/h3,5-6,9-12,15-30,36-37,39,44-45,52H,4,7-8,13-14,31-35H2,1-2H3.
What are the key properties of N-[4-(2-adamantyl)phenyl]-N-(4-cyclohexylphenyl)-9,9-dimethyl-1-(4-phenylphenyl)fluoren-2-amine?
N-[4-(2-adamantyl)phenyl]-N-(4-cyclohexylphenyl)-9,9-dimethyl-1-(4-phenylphenyl)fluoren-2-amine has a molecular weight of 730.05 g/mol, XLogP of 15.38, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-adamantyl)phenyl]-N-(4-cyclohexylphenyl)-9,9-dimethyl-1-(4-phenylphenyl)fluoren-2-amine is sourced from PubChem (CID 168739157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).