N-[4-[4-(1-adamantyl)naphthalen-1-yl]phenyl]-9,9-dimethyl-N-(2-naphthalen-1-ylphenyl)fluoren-2-amine

C57H49N — CID 168764893

IUPACN-[4-[4-(1-adamantyl)naphthalen-1-yl]phenyl]-9,9-dimethyl-N-(2-naphthalen-1-ylphenyl)fluoren-2-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4ccc(C56CC7CC(CC(C7)C5)C6)c5ccccc45)cc3)c3ccccc3-c3cccc4ccccc34)cc21
InChIInChI=1S/C57H49N/c1-56(2)52-20-9-7-17-49(52)50-27-26-43(33-54(50)56)58(55-21-10-8-18-51(55)47-19-11-13-40-12-3-4-14-44(40)47)42-24-22-41(23-25-42)45-28-29-53(48-16-6-5-15-46(45)48)57-34-37-30-38(35-57)32-39(31-37)36-57/h3-29,33,37-39H,30-32,34-36H2,1-2H3
InChIKeyHQIWVPRLLSTYLN-UHFFFAOYSA-N
MW748.03 g/mol
LogP15.57
Rot. Bonds6

About N-[4-[4-(1-adamantyl)naphthalen-1-yl]phenyl]-9,9-dimethyl-N-(2-naphthalen-1-ylphenyl)fluoren-2-amine

N-[4-[4-(1-adamantyl)naphthalen-1-yl]phenyl]-9,9-dimethyl-N-(2-naphthalen-1-ylphenyl)fluoren-2-amine (PubChem CID 168764893) has the molecular formula C57H49N and a molecular weight of 748.03 g/mol. Its IUPAC name is N-[4-[4-(1-adamantyl)naphthalen-1-yl]phenyl]-9,9-dimethyl-N-(2-naphthalen-1-ylphenyl)fluoren-2-amine.

Molecular Properties

Compound NameN-[4-[4-(1-adamantyl)naphthalen-1-yl]phenyl]-9,9-dimethyl-N-(2-naphthalen-1-ylphenyl)fluoren-2-amine
PubChem CID168764893
Molecular FormulaC57H49N
Molecular Weight748.03 g/mol
Exact Mass747.39
IUPAC NameN-[4-[4-(1-adamantyl)naphthalen-1-yl]phenyl]-9,9-dimethyl-N-(2-naphthalen-1-ylphenyl)fluoren-2-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4ccc(C56CC7CC(CC(C7)C5)C6)c5ccccc45)cc3)c3ccccc3-c3cccc4ccccc34)cc21
InChIInChI=1S/C57H49N/c1-56(2)52-20-9-7-17-49(52)50-27-26-43(33-54(50)56)58(55-21-10-8-18-51(55)47-19-11-13-40-12-3-4-14-44(40)47)42-24-22-41(23-25-42)45-28-29-53(48-16-6-5-15-46(45)48)57-34-37-30-38(35-57)32-39(31-37)36-57/h3-29,33,37-39H,30-32,34-36H2,1-2H3
InChIKeyHQIWVPRLLSTYLN-UHFFFAOYSA-N
XLogP15.57
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500748.03
LogP ≤ 515.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze N-[4-[4-(1-adamantyl)naphthalen-1-yl]phenyl]-9,9-dimethyl-N-(2-naphthalen-1-ylphenyl)fluoren-2-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-[4-[4-[4-(1-adamantyl)phenyl]phenyl]-2-naphthalen-1-ylphenyl]-9,9-dimethyl-N-(4-naphthalen-1-ylphenyl)fluoren-2-amine
CID 130204057
N-[4-[4-[4-(1-adamantyl)phenyl]phenyl]-2-naphthalen-1-ylphenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
CID 130203868
N-[4-[4-(1-adamantyl)phenyl]-2-naphthalen-2-ylphenyl]-9,9-dimethyl-N-(2-naphthalen-1-ylphenyl)fluoren-2-amine
CID 137414910
N-[4-[4-(1-adamantyl)phenyl]-2-naphthalen-1-ylphenyl]-9,9-dimethyl-N-(2-naphthalen-1-ylphenyl)fluoren-2-amine;N-[4-[4-(1-adamantyl)phenyl]-2-naphthalen-2-ylphenyl]-9,9-dimethyl-N-(4-naphthalen-2-ylphenyl)fluoren-2-amine;N-[4-[4-(1-adamantyl)phenyl]-2-naphthalen-2-ylphenyl]-9,9-dimethyl-N-(2-phenylphenyl)fluoren-2-amine;N-[4-[4-(1-adamantyl)phenyl]-2-naphthalen-2-ylphenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
CID 161446051
N-[4-[4-[4-(1-adamantyl)phenyl]phenyl]phenyl]-9,9-dimethyl-N-(2-phenylphenyl)fluoren-2-amine
CID 130197569
N-[4-[4-(N-(9,9-dimethylfluoren-2-yl)-2-naphthalen-1-ylanilino)-3-methylphenyl]-2-methylphenyl]-9,9-dimethyl-N-(2-naphthalen-1-ylphenyl)fluoren-2-amine
CID 121323104
N-(9,9-dimethylfluoren-2-yl)-3-(2-naphthalen-1-ylphenyl)-N-(4-naphthalen-1-ylphenyl)triphenylen-2-amine
CID 177294607
N-[4-(1-adamantyl)phenyl]-9,9-dimethyl-6-naphthalen-1-yl-N-(4-triphenylsilylphenyl)fluoren-2-amine
CID 168738719
N-[2-(1-adamantyl)phenyl]-11,11-dimethyl-N-[4-(5,6,7,8-tetrahydronaphthalen-1-yl)phenyl]benzo[a]fluoren-9-amine
CID 170538872
9,9-dimethyl-N-(2-naphthalen-1-ylphenyl)-N-[4-(5,6,7,8-tetrahydronaphthalen-2-yl)phenyl]fluoren-2-amine
CID 170538805
9,9-dimethyl-N-naphthalen-1-yl-N-[4-[5-(N-naphthalen-1-ylanilino)naphthalen-1-yl]phenyl]fluoren-2-amine
CID 59221637
9,9-dimethyl-N-(4-naphthalen-1-ylphenyl)-N-(4-phenylphenyl)-6-spiro[adamantane-2,9'-fluorene]-3'-ylfluoren-2-amine
CID 156568019

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-(1-adamantyl)naphthalen-1-yl]phenyl]-9,9-dimethyl-N-(2-naphthalen-1-ylphenyl)fluoren-2-amine?
The IUPAC name of N-[4-[4-(1-adamantyl)naphthalen-1-yl]phenyl]-9,9-dimethyl-N-(2-naphthalen-1-ylphenyl)fluoren-2-amine (CID 168764893) is N-[4-[4-(1-adamantyl)naphthalen-1-yl]phenyl]-9,9-dimethyl-N-(2-naphthalen-1-ylphenyl)fluoren-2-amine.
What is the SMILES notation for N-[4-[4-(1-adamantyl)naphthalen-1-yl]phenyl]-9,9-dimethyl-N-(2-naphthalen-1-ylphenyl)fluoren-2-amine?
The canonical SMILES for N-[4-[4-(1-adamantyl)naphthalen-1-yl]phenyl]-9,9-dimethyl-N-(2-naphthalen-1-ylphenyl)fluoren-2-amine is CC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4ccc(C56CC7CC(CC(C7)C5)C6)c5ccccc45)cc3)c3ccccc3-c3cccc4ccccc34)cc21.
What is the InChIKey of N-[4-[4-(1-adamantyl)naphthalen-1-yl]phenyl]-9,9-dimethyl-N-(2-naphthalen-1-ylphenyl)fluoren-2-amine?
The InChIKey is HQIWVPRLLSTYLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H49N/c1-56(2)52-20-9-7-17-49(52)50-27-26-43(33-54(50)56)58(55-21-10-8-18-51(55)47-19-11-13-40-12-3-4-14-44(40)47)42-24-22-41(23-25-42)45-28-29-53(48-16-6-5-15-46(45)48)57-34-37-30-38(35-57)32-39(31-37)36-57/h3-29,33,37-39H,30-32,34-36H2,1-2H3.
What are the key properties of N-[4-[4-(1-adamantyl)naphthalen-1-yl]phenyl]-9,9-dimethyl-N-(2-naphthalen-1-ylphenyl)fluoren-2-amine?
N-[4-[4-(1-adamantyl)naphthalen-1-yl]phenyl]-9,9-dimethyl-N-(2-naphthalen-1-ylphenyl)fluoren-2-amine has a molecular weight of 748.03 g/mol, XLogP of 15.57, 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)naphthalen-1-yl]phenyl]-9,9-dimethyl-N-(2-naphthalen-1-ylphenyl)fluoren-2-amine is sourced from PubChem (CID 168764893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).