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

C53H53N — CID 168739114

IUPACN-[4-(2-adamantyl)phenyl]-N-(4-cyclohexylphenyl)-9,9-dimethyl-1-naphthalen-1-ylfluoren-2-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccc(C4CCCCC4)cc3)c3ccc(C4C5CC6CC(C5)CC4C6)cc3)c(-c3cccc4ccccc34)c21
InChIInChI=1S/C53H53N/c1-53(2)48-18-9-8-16-45(48)47-27-28-49(51(52(47)53)46-17-10-14-38-13-6-7-15-44(38)46)54(42-23-19-37(20-24-42)36-11-4-3-5-12-36)43-25-21-39(22-26-43)50-40-30-34-29-35(32-40)33-41(50)31-34/h6-10,13-28,34-36,40-41,50H,3-5,11-12,29-33H2,1-2H3
InChIKeyAGTTVCBRKPADIH-UHFFFAOYSA-N
MW704.01 g/mol
LogP14.87
Rot. Bonds6

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

N-[4-(2-adamantyl)phenyl]-N-(4-cyclohexylphenyl)-9,9-dimethyl-1-naphthalen-1-ylfluoren-2-amine (PubChem CID 168739114) has the molecular formula C53H53N and a molecular weight of 704.01 g/mol. Its IUPAC name is N-[4-(2-adamantyl)phenyl]-N-(4-cyclohexylphenyl)-9,9-dimethyl-1-naphthalen-1-ylfluoren-2-amine.

Molecular Properties

Compound NameN-[4-(2-adamantyl)phenyl]-N-(4-cyclohexylphenyl)-9,9-dimethyl-1-naphthalen-1-ylfluoren-2-amine
PubChem CID168739114
Molecular FormulaC53H53N
Molecular Weight704.01 g/mol
Exact Mass703.42
IUPAC NameN-[4-(2-adamantyl)phenyl]-N-(4-cyclohexylphenyl)-9,9-dimethyl-1-naphthalen-1-ylfluoren-2-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccc(C4CCCCC4)cc3)c3ccc(C4C5CC6CC(C5)CC4C6)cc3)c(-c3cccc4ccccc34)c21
InChIInChI=1S/C53H53N/c1-53(2)48-18-9-8-16-45(48)47-27-28-49(51(52(47)53)46-17-10-14-38-13-6-7-15-44(38)46)54(42-23-19-37(20-24-42)36-11-4-3-5-12-36)43-25-21-39(22-26-43)50-40-30-34-29-35(32-40)33-41(50)31-34/h6-10,13-28,34-36,40-41,50H,3-5,11-12,29-33H2,1-2H3
InChIKeyAGTTVCBRKPADIH-UHFFFAOYSA-N
XLogP14.87
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500704.01
LogP ≤ 514.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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-[4-(2-cyclohexylphenyl)phenyl]-9,9-dimethyl-1-naphthalen-1-ylfluoren-2-amine
CID 168739282
N-[4-[4-(2-bicyclo[2.2.1]heptanyl)phenyl]phenyl]-N-(4-cyclohexylphenyl)-9,9-dimethyl-1-phenylfluoren-2-amine
CID 168738478
N-(6-cyclohexylnaphthalen-2-yl)-9,9-dimethyl-N-(1-naphthalen-1-ylnaphthalen-2-yl)fluoren-2-amine
CID 164774478
N-(3-cyclohexylphenyl)-9,9-dimethyl-N-(1-naphthalen-1-ylnaphthalen-2-yl)fluoren-2-amine
CID 164774507
N-[4-[4-(2-bicyclo[2.2.1]heptanyl)phenyl]phenyl]-N-(4-cyclohexylphenyl)-9,9-dimethyl-3-naphthalen-1-ylfluoren-2-amine
CID 168738960
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
7-cyclohexyl-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-(2-naphthalen-1-ylphenyl)fluoren-2-amine
CID 165060417
7-cyclohexyl-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-(4-naphthalen-1-ylphenyl)fluoren-2-amine
CID 165060419
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-(2-bicyclo[2.2.1]heptanyl)phenyl]phenyl]-N-(4-cyclohexylphenyl)-9,9-dimethyl-5-naphthalen-1-ylfluoren-2-amine
CID 168739156
N-(4-cyclohexyl-2-phenylphenyl)-9,9-dimethyl-N-(1-naphthalen-1-ylnaphthalen-2-yl)fluoren-3-amine
CID 164774060

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-adamantyl)phenyl]-N-(4-cyclohexylphenyl)-9,9-dimethyl-1-naphthalen-1-ylfluoren-2-amine?
The IUPAC name of N-[4-(2-adamantyl)phenyl]-N-(4-cyclohexylphenyl)-9,9-dimethyl-1-naphthalen-1-ylfluoren-2-amine (CID 168739114) is N-[4-(2-adamantyl)phenyl]-N-(4-cyclohexylphenyl)-9,9-dimethyl-1-naphthalen-1-ylfluoren-2-amine.
What is the SMILES notation for N-[4-(2-adamantyl)phenyl]-N-(4-cyclohexylphenyl)-9,9-dimethyl-1-naphthalen-1-ylfluoren-2-amine?
The canonical SMILES for N-[4-(2-adamantyl)phenyl]-N-(4-cyclohexylphenyl)-9,9-dimethyl-1-naphthalen-1-ylfluoren-2-amine is CC1(C)c2ccccc2-c2ccc(N(c3ccc(C4CCCCC4)cc3)c3ccc(C4C5CC6CC(C5)CC4C6)cc3)c(-c3cccc4ccccc34)c21.
What is the InChIKey of N-[4-(2-adamantyl)phenyl]-N-(4-cyclohexylphenyl)-9,9-dimethyl-1-naphthalen-1-ylfluoren-2-amine?
The InChIKey is AGTTVCBRKPADIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H53N/c1-53(2)48-18-9-8-16-45(48)47-27-28-49(51(52(47)53)46-17-10-14-38-13-6-7-15-44(38)46)54(42-23-19-37(20-24-42)36-11-4-3-5-12-36)43-25-21-39(22-26-43)50-40-30-34-29-35(32-40)33-41(50)31-34/h6-10,13-28,34-36,40-41,50H,3-5,11-12,29-33H2,1-2H3.
What are the key properties of N-[4-(2-adamantyl)phenyl]-N-(4-cyclohexylphenyl)-9,9-dimethyl-1-naphthalen-1-ylfluoren-2-amine?
N-[4-(2-adamantyl)phenyl]-N-(4-cyclohexylphenyl)-9,9-dimethyl-1-naphthalen-1-ylfluoren-2-amine has a molecular weight of 704.01 g/mol, XLogP of 14.87, 6 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-naphthalen-1-ylfluoren-2-amine is sourced from PubChem (CID 168739114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).