N-[4-[4-(1-adamantyl)phenyl]-2,6-dimethylphenyl]-9,9-dimethyl-7-phenyl-N-(4-phenylphenyl)fluoren-2-amine

C57H53N — CID 155220894

IUPACN-[4-[4-(1-adamantyl)phenyl]-2,6-dimethylphenyl]-9,9-dimethyl-7-phenyl-N-(4-phenylphenyl)fluoren-2-amine
SMILESCc1cc(-c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)cc(C)c1N(c1ccc(-c2ccccc2)cc1)c1ccc2c(c1)C(C)(C)c1cc(-c3ccccc3)ccc1-2
InChIInChI=1S/C57H53N/c1-37-27-47(45-15-20-48(21-16-45)57-34-39-29-40(35-57)31-41(30-39)36-57)28-38(2)55(37)58(49-22-17-44(18-23-49)42-11-7-5-8-12-42)50-24-26-52-51-25-19-46(43-13-9-6-10-14-43)32-53(51)56(3,4)54(52)33-50/h5-28,32-33,39-41H,29-31,34-36H2,1-4H3
InChIKeyRFRLPJNRPSXMIY-UHFFFAOYSA-N
MW752.06 g/mol
LogP15.55
Rot. Bonds7

About N-[4-[4-(1-adamantyl)phenyl]-2,6-dimethylphenyl]-9,9-dimethyl-7-phenyl-N-(4-phenylphenyl)fluoren-2-amine

N-[4-[4-(1-adamantyl)phenyl]-2,6-dimethylphenyl]-9,9-dimethyl-7-phenyl-N-(4-phenylphenyl)fluoren-2-amine (PubChem CID 155220894) has the molecular formula C57H53N and a molecular weight of 752.06 g/mol. Its IUPAC name is N-[4-[4-(1-adamantyl)phenyl]-2,6-dimethylphenyl]-9,9-dimethyl-7-phenyl-N-(4-phenylphenyl)fluoren-2-amine.

Molecular Properties

Compound NameN-[4-[4-(1-adamantyl)phenyl]-2,6-dimethylphenyl]-9,9-dimethyl-7-phenyl-N-(4-phenylphenyl)fluoren-2-amine
PubChem CID155220894
Molecular FormulaC57H53N
Molecular Weight752.06 g/mol
Exact Mass751.42
IUPAC NameN-[4-[4-(1-adamantyl)phenyl]-2,6-dimethylphenyl]-9,9-dimethyl-7-phenyl-N-(4-phenylphenyl)fluoren-2-amine
SMILESCc1cc(-c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)cc(C)c1N(c1ccc(-c2ccccc2)cc1)c1ccc2c(c1)C(C)(C)c1cc(-c3ccccc3)ccc1-2
InChIInChI=1S/C57H53N/c1-37-27-47(45-15-20-48(21-16-45)57-34-39-29-40(35-57)31-41(30-39)36-57)28-38(2)55(37)58(49-22-17-44(18-23-49)42-11-7-5-8-12-42)50-24-26-52-51-25-19-46(43-13-9-6-10-14-43)32-53(51)56(3,4)54(52)33-50/h5-28,32-33,39-41H,29-31,34-36H2,1-4H3
InChIKeyRFRLPJNRPSXMIY-UHFFFAOYSA-N
XLogP15.55
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500752.06
LogP ≤ 515.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze N-[4-[4-(1-adamantyl)phenyl]-2,6-dimethylphenyl]-9,9-dimethyl-7-phenyl-N-(4-phenylphenyl)fluoren-2-amine with MolForge

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Related Compounds

2-N-[4-(1-adamantyl)phenyl]-9,9-dimethyl-7-N,7-N-diphenyl-2-N-(4-phenylphenyl)fluorene-2,7-diamine
CID 164768061
N-[4-[7-(1-adamantyl)-9,9-dimethylfluoren-2-yl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 145346070
N-[4-(1-adamantyl)phenyl]-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-amine;N-[4-[4-(1-adamantyl)phenyl]phenyl]-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-amine;N-(9,9-dimethylfluoren-2-yl)-N-[2,6-dimethyl-4-(4-phenylphenyl)phenyl]spiro[fluorene-9,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaene]-2-amine
CID 160707834
N-[4-(1-adamantyl)-2,6-dimethylphenyl]-N-(9,9-diphenylfluoren-2-yl)-9,9-dimethylfluoren-2-amine;7-(1-adamantyl)-N-(9,9-diphenylfluoren-2-yl)-9,9-dimethyl-N-(2-methyl-4-phenylphenyl)fluoren-2-amine;N-[4-[4-(1-adamantyl)phenyl]-2,6-dimethylphenyl]-N-(9,9-diphenylfluoren-2-yl)-9,9-dimethylfluoren-2-amine;N-[4-[4-(1-adamantyl)phenyl]-2,6-diphenylphenyl]-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-amine
CID 161274556
N-[4-[4-[4-(1-adamantyl)phenyl]phenyl]phenyl]-N-(3,4-diphenylphenyl)-9,9-dimethylfluoren-2-amine
CID 130203842
N-[4-[4-[4-(1-adamantyl)phenyl]phenyl]phenyl]-9,9-dimethyl-N-(2-phenylphenyl)fluoren-2-amine
CID 130197569
N-[4-[4-(1-adamantyl)phenyl]-2,6-dimethylphenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-4-amine
CID 155181901
N-[4-(1-adamantyl)phenyl]-4-(9,9-dimethylfluoren-2-yl)-N-[4-(8-phenylnaphthalen-1-yl)phenyl]aniline
CID 169028657
N-[3-[4-(1-adamantyl)phenyl]phenyl]-9,9-dimethyl-N-[4-(8-phenylnaphthalen-1-yl)phenyl]fluoren-2-amine
CID 169028677
N-[4-[4-(1-adamantyl)phenyl]phenyl]-3-(9,9-dimethylfluoren-2-yl)-N-[4-(8-phenylnaphthalen-1-yl)phenyl]aniline
CID 169028364
7-(1-adamantyl)-N-(9,9-dimethylfluoren-2-yl)-N-(2,4-diphenylphenyl)-9,9-dimethylfluoren-2-amine
CID 146578864
N-[4-[4-[4-(1-adamantyl)phenyl]phenyl]phenyl]-9,9-dimethyl-N-(4-pyridin-4-ylphenyl)fluoren-2-amine
CID 130203663

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-(1-adamantyl)phenyl]-2,6-dimethylphenyl]-9,9-dimethyl-7-phenyl-N-(4-phenylphenyl)fluoren-2-amine?
The IUPAC name of N-[4-[4-(1-adamantyl)phenyl]-2,6-dimethylphenyl]-9,9-dimethyl-7-phenyl-N-(4-phenylphenyl)fluoren-2-amine (CID 155220894) is N-[4-[4-(1-adamantyl)phenyl]-2,6-dimethylphenyl]-9,9-dimethyl-7-phenyl-N-(4-phenylphenyl)fluoren-2-amine.
What is the SMILES notation for N-[4-[4-(1-adamantyl)phenyl]-2,6-dimethylphenyl]-9,9-dimethyl-7-phenyl-N-(4-phenylphenyl)fluoren-2-amine?
The canonical SMILES for N-[4-[4-(1-adamantyl)phenyl]-2,6-dimethylphenyl]-9,9-dimethyl-7-phenyl-N-(4-phenylphenyl)fluoren-2-amine is Cc1cc(-c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)cc(C)c1N(c1ccc(-c2ccccc2)cc1)c1ccc2c(c1)C(C)(C)c1cc(-c3ccccc3)ccc1-2.
What is the InChIKey of N-[4-[4-(1-adamantyl)phenyl]-2,6-dimethylphenyl]-9,9-dimethyl-7-phenyl-N-(4-phenylphenyl)fluoren-2-amine?
The InChIKey is RFRLPJNRPSXMIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H53N/c1-37-27-47(45-15-20-48(21-16-45)57-34-39-29-40(35-57)31-41(30-39)36-57)28-38(2)55(37)58(49-22-17-44(18-23-49)42-11-7-5-8-12-42)50-24-26-52-51-25-19-46(43-13-9-6-10-14-43)32-53(51)56(3,4)54(52)33-50/h5-28,32-33,39-41H,29-31,34-36H2,1-4H3.
What are the key properties of N-[4-[4-(1-adamantyl)phenyl]-2,6-dimethylphenyl]-9,9-dimethyl-7-phenyl-N-(4-phenylphenyl)fluoren-2-amine?
N-[4-[4-(1-adamantyl)phenyl]-2,6-dimethylphenyl]-9,9-dimethyl-7-phenyl-N-(4-phenylphenyl)fluoren-2-amine has a molecular weight of 752.06 g/mol, XLogP of 15.55, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-(1-adamantyl)phenyl]-2,6-dimethylphenyl]-9,9-dimethyl-7-phenyl-N-(4-phenylphenyl)fluoren-2-amine is sourced from PubChem (CID 155220894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).