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

C51H49N — CID 155181901

IUPACN-[4-[4-(1-adamantyl)phenyl]-2,6-dimethylphenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-4-amine
SMILESCc1cc(-c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)cc(C)c1N(c1ccc(-c2ccccc2)cc1)c1cccc2c1-c1ccccc1C2(C)C
InChIInChI=1S/C51H49N/c1-33-25-41(40-17-21-42(22-18-40)51-30-35-27-36(31-51)29-37(28-35)32-51)26-34(2)49(33)52(43-23-19-39(20-24-43)38-11-6-5-7-12-38)47-16-10-15-46-48(47)44-13-8-9-14-45(44)50(46,3)4/h5-26,35-37H,27-32H2,1-4H3
InChIKeyPDQVSEFDQAOZTG-UHFFFAOYSA-N
MW675.96 g/mol
LogP13.88
Rot. Bonds6

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

N-[4-[4-(1-adamantyl)phenyl]-2,6-dimethylphenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-4-amine (PubChem CID 155181901) has the molecular formula C51H49N and a molecular weight of 675.96 g/mol. Its IUPAC name is N-[4-[4-(1-adamantyl)phenyl]-2,6-dimethylphenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-4-amine.

Molecular Properties

Compound NameN-[4-[4-(1-adamantyl)phenyl]-2,6-dimethylphenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-4-amine
PubChem CID155181901
Molecular FormulaC51H49N
Molecular Weight675.96 g/mol
Exact Mass675.39
IUPAC NameN-[4-[4-(1-adamantyl)phenyl]-2,6-dimethylphenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-4-amine
SMILESCc1cc(-c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)cc(C)c1N(c1ccc(-c2ccccc2)cc1)c1cccc2c1-c1ccccc1C2(C)C
InChIInChI=1S/C51H49N/c1-33-25-41(40-17-21-42(22-18-40)51-30-35-27-36(31-51)29-37(28-35)32-51)26-34(2)49(33)52(43-23-19-39(20-24-43)38-11-6-5-7-12-38)47-16-10-15-46-48(47)44-13-8-9-14-45(44)50(46,3)4/h5-26,35-37H,27-32H2,1-4H3
InChIKeyPDQVSEFDQAOZTG-UHFFFAOYSA-N
XLogP13.88
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500675.96
LogP ≤ 513.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N,N-bis[4-(1-adamantyl)phenyl]-9,9-dimethylfluoren-4-amine
CID 162222684
N-[4-[4-(1-adamantyl)phenyl]phenyl]-9,9-dimethyl-N-(2-methyl-4,6-diphenylphenyl)fluoren-4-amine;N-[4-[4-(1-adamantyl)phenyl]phenyl]-9,9-dimethyl-N-(2-naphthalen-2-yl-4-phenylphenyl)fluoren-4-amine;N-[4-[4-(1-adamantyl)phenyl]phenyl]-9,9-dimethyl-N-(2,4,6-triphenylphenyl)fluoren-4-amine
CID 161114860
1-N-[4-(1-adamantyl)phenyl]-3-N-(9,9-dimethylfluoren-4-yl)-1-N,3-N-diphenylbenzene-1,3-diamine
CID 155421662
N-[4-[4-(1-adamantyl)phenyl]-2,6-dimethylphenyl]-9,9-dimethyl-7-phenyl-N-(4-phenylphenyl)fluoren-2-amine
CID 155220894
N-[4-[4-[4-(1-adamantyl)phenyl]phenyl]phenyl]-9,9-dimethyl-N-(2-phenylphenyl)fluoren-2-amine
CID 130197569
N-(2,6-dimethyl-4-phenylphenyl)-9,9-diphenyl-N-(4-phenylphenyl)fluoren-4-amine
CID 118193667
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,N-bis[4-(1-adamantyl)phenyl]-9,9-dimethyl-3,5-diphenylfluoren-2-amine
CID 170529514
N-[4-[4-[4-(1-adamantyl)phenyl]phenyl]phenyl]-N-(3,4-diphenylphenyl)-9,9-dimethylfluoren-2-amine
CID 130203842
N-(3,4-dimethylphenyl)-9,9-dimethyl-N-(4-phenylphenyl)fluoren-4-amine
CID 142515720
N-[4-(1-adamantyl)phenyl]-4-(9,9-dimethylfluoren-2-yl)-N-[4-(8-phenylnaphthalen-1-yl)phenyl]aniline
CID 169028657
9,9-dimethyl-N-[4-[4-(N-phenylanilino)phenyl]phenyl]-N-(4-phenylphenyl)fluoren-4-amine
CID 90294553

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-(1-adamantyl)phenyl]-2,6-dimethylphenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-4-amine?
The IUPAC name of N-[4-[4-(1-adamantyl)phenyl]-2,6-dimethylphenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-4-amine (CID 155181901) is N-[4-[4-(1-adamantyl)phenyl]-2,6-dimethylphenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-4-amine.
What is the SMILES notation for N-[4-[4-(1-adamantyl)phenyl]-2,6-dimethylphenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-4-amine?
The canonical SMILES for N-[4-[4-(1-adamantyl)phenyl]-2,6-dimethylphenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-4-amine is Cc1cc(-c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)cc(C)c1N(c1ccc(-c2ccccc2)cc1)c1cccc2c1-c1ccccc1C2(C)C.
What is the InChIKey of N-[4-[4-(1-adamantyl)phenyl]-2,6-dimethylphenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-4-amine?
The InChIKey is PDQVSEFDQAOZTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H49N/c1-33-25-41(40-17-21-42(22-18-40)51-30-35-27-36(31-51)29-37(28-35)32-51)26-34(2)49(33)52(43-23-19-39(20-24-43)38-11-6-5-7-12-38)47-16-10-15-46-48(47)44-13-8-9-14-45(44)50(46,3)4/h5-26,35-37H,27-32H2,1-4H3.
What are the key properties of N-[4-[4-(1-adamantyl)phenyl]-2,6-dimethylphenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-4-amine?
N-[4-[4-(1-adamantyl)phenyl]-2,6-dimethylphenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-4-amine has a molecular weight of 675.96 g/mol, XLogP of 13.88, 6 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-N-(4-phenylphenyl)fluoren-4-amine is sourced from PubChem (CID 155181901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).