N-[4-[2-(9,9-dimethylfluoren-1-yl)phenyl]phenyl]-N-(9-methyl-9-phenylfluoren-4-yl)spiro[adamantane-2,9'-fluorene]-2'-amine

C69H57N — CID 170218070

IUPACN-[4-[2-(9,9-dimethylfluoren-1-yl)phenyl]phenyl]-N-(9-methyl-9-phenylfluoren-4-yl)spiro[adamantane-2,9'-fluorene]-2'-amine
SMILESCC1(C)c2ccccc2-c2cccc(-c3ccccc3-c3ccc(N(c4ccc5c(c4)C4(c6ccccc6-5)C5CC6CC(C5)CC4C6)c4cccc5c4-c4ccccc4C5(C)c4ccccc4)cc3)c21
InChIInChI=1S/C69H57N/c1-67(2)59-26-12-9-22-54(59)57-25-15-24-56(66(57)67)52-20-8-7-19-51(52)45-31-33-49(34-32-45)70(64-30-16-29-62-65(64)58-23-11-13-27-60(58)68(62,3)46-17-5-4-6-18-46)50-35-36-55-53-21-10-14-28-61(53)69(63(55)42-50)47-38-43-37-44(40-47)41-48(69)39-43/h4-36,42-44,47-48H,37-41H2,1-3H3
InChIKeyFWJHSPCZUFDLJJ-UHFFFAOYSA-N
MW900.22 g/mol
LogP17.85
Rot. Bonds6

About N-[4-[2-(9,9-dimethylfluoren-1-yl)phenyl]phenyl]-N-(9-methyl-9-phenylfluoren-4-yl)spiro[adamantane-2,9'-fluorene]-2'-amine

N-[4-[2-(9,9-dimethylfluoren-1-yl)phenyl]phenyl]-N-(9-methyl-9-phenylfluoren-4-yl)spiro[adamantane-2,9'-fluorene]-2'-amine (PubChem CID 170218070) has the molecular formula C69H57N and a molecular weight of 900.22 g/mol. Its IUPAC name is N-[4-[2-(9,9-dimethylfluoren-1-yl)phenyl]phenyl]-N-(9-methyl-9-phenylfluoren-4-yl)spiro[adamantane-2,9'-fluorene]-2'-amine.

Molecular Properties

Compound NameN-[4-[2-(9,9-dimethylfluoren-1-yl)phenyl]phenyl]-N-(9-methyl-9-phenylfluoren-4-yl)spiro[adamantane-2,9'-fluorene]-2'-amine
PubChem CID170218070
Molecular FormulaC69H57N
Molecular Weight900.22 g/mol
Exact Mass899.45
IUPAC NameN-[4-[2-(9,9-dimethylfluoren-1-yl)phenyl]phenyl]-N-(9-methyl-9-phenylfluoren-4-yl)spiro[adamantane-2,9'-fluorene]-2'-amine
SMILESCC1(C)c2ccccc2-c2cccc(-c3ccccc3-c3ccc(N(c4ccc5c(c4)C4(c6ccccc6-5)C5CC6CC(C5)CC4C6)c4cccc5c4-c4ccccc4C5(C)c4ccccc4)cc3)c21
InChIInChI=1S/C69H57N/c1-67(2)59-26-12-9-22-54(59)57-25-15-24-56(66(57)67)52-20-8-7-19-51(52)45-31-33-49(34-32-45)70(64-30-16-29-62-65(64)58-23-11-13-27-60(58)68(62,3)46-17-5-4-6-18-46)50-35-36-55-53-21-10-14-28-61(53)69(63(55)42-50)47-38-43-37-44(40-47)41-48(69)39-43/h4-36,42-44,47-48H,37-41H2,1-3H3
InChIKeyFWJHSPCZUFDLJJ-UHFFFAOYSA-N
XLogP17.85
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms70
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500900.22
LogP ≤ 517.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze N-[4-[2-(9,9-dimethylfluoren-1-yl)phenyl]phenyl]-N-(9-methyl-9-phenylfluoren-4-yl)spiro[adamantane-2,9'-fluorene]-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-[2-(9,9-dimethylfluoren-1-yl)phenyl]-N-(9-methyl-9-phenylfluoren-4-yl)spiro[adamantane-2,9'-fluorene]-2'-amine
CID 170217298
N-[2-(9,9-dimethylfluoren-1-yl)phenyl]-N-[4-(9-methyl-9-phenylfluoren-2-yl)phenyl]spiro[adamantane-2,9'-fluorene]-2'-amine
CID 170217031
N-[4-[2-(9,9-dimethylfluoren-1-yl)phenyl]phenyl]-N-[4-(9-methyl-9-phenylfluoren-2-yl)phenyl]spiro[adamantane-2,9'-fluorene]-2'-amine
CID 170217680
N-(9,9-dimethylfluoren-4-yl)-N-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-1-yl)phenyl]spiro[adamantane-2,9'-fluorene]-2'-amine
CID 176595472
N-[2-(9,9-dimethylfluoren-1-yl)phenyl]-9,9-dimethyl-N-(9-methyl-9-phenylfluoren-4-yl)fluoren-2-amine
CID 170216920
9,9-dimethyl-N-(4-spiro[adamantane-2,9'-fluorene]-2'-ylphenyl)-N-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)fluoren-4-amine
CID 176595342
N-[2-(9,9-dimethylfluoren-1-yl)phenyl]-N-(4-phenanthren-9-ylphenyl)spiro[adamantane-2,9'-fluorene]-2'-amine
CID 170217331
9,9-dimethyl-N-(2-phenylphenyl)-N-[4-(4-spiro[adamantane-2,9'-fluorene]-2'-ylphenyl)phenyl]fluoren-2-amine
CID 155399652
N-[3-(9,9-dimethylfluoren-1-yl)phenyl]-N-[3-phenyl-4-(4-phenylphenyl)phenyl]spiro[adamantane-2,9'-fluorene]-2'-amine
CID 170216650
N-(9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)spiro[adamantane-2,9'-fluorene]-2'-amine
CID 155393837
N-(4-naphthalen-1-ylphenyl)-N-spiro[adamantane-2,9'-fluorene]-2'-ylspiro[adamantane-2,9'-fluorene]-4'-amine
CID 168722937
N-[4-(9,9-dimethylfluoren-1-yl)phenyl]-N-(9,9-diphenylfluoren-4-yl)spiro[bicyclo[2.2.1]heptane-2,9'-fluorene]-2'-amine
CID 170215903

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-(9,9-dimethylfluoren-1-yl)phenyl]phenyl]-N-(9-methyl-9-phenylfluoren-4-yl)spiro[adamantane-2,9'-fluorene]-2'-amine?
The IUPAC name of N-[4-[2-(9,9-dimethylfluoren-1-yl)phenyl]phenyl]-N-(9-methyl-9-phenylfluoren-4-yl)spiro[adamantane-2,9'-fluorene]-2'-amine (CID 170218070) is N-[4-[2-(9,9-dimethylfluoren-1-yl)phenyl]phenyl]-N-(9-methyl-9-phenylfluoren-4-yl)spiro[adamantane-2,9'-fluorene]-2'-amine.
What is the SMILES notation for N-[4-[2-(9,9-dimethylfluoren-1-yl)phenyl]phenyl]-N-(9-methyl-9-phenylfluoren-4-yl)spiro[adamantane-2,9'-fluorene]-2'-amine?
The canonical SMILES for N-[4-[2-(9,9-dimethylfluoren-1-yl)phenyl]phenyl]-N-(9-methyl-9-phenylfluoren-4-yl)spiro[adamantane-2,9'-fluorene]-2'-amine is CC1(C)c2ccccc2-c2cccc(-c3ccccc3-c3ccc(N(c4ccc5c(c4)C4(c6ccccc6-5)C5CC6CC(C5)CC4C6)c4cccc5c4-c4ccccc4C5(C)c4ccccc4)cc3)c21.
What is the InChIKey of N-[4-[2-(9,9-dimethylfluoren-1-yl)phenyl]phenyl]-N-(9-methyl-9-phenylfluoren-4-yl)spiro[adamantane-2,9'-fluorene]-2'-amine?
The InChIKey is FWJHSPCZUFDLJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C69H57N/c1-67(2)59-26-12-9-22-54(59)57-25-15-24-56(66(57)67)52-20-8-7-19-51(52)45-31-33-49(34-32-45)70(64-30-16-29-62-65(64)58-23-11-13-27-60(58)68(62,3)46-17-5-4-6-18-46)50-35-36-55-53-21-10-14-28-61(53)69(63(55)42-50)47-38-43-37-44(40-47)41-48(69)39-43/h4-36,42-44,47-48H,37-41H2,1-3H3.
What are the key properties of N-[4-[2-(9,9-dimethylfluoren-1-yl)phenyl]phenyl]-N-(9-methyl-9-phenylfluoren-4-yl)spiro[adamantane-2,9'-fluorene]-2'-amine?
N-[4-[2-(9,9-dimethylfluoren-1-yl)phenyl]phenyl]-N-(9-methyl-9-phenylfluoren-4-yl)spiro[adamantane-2,9'-fluorene]-2'-amine has a molecular weight of 900.22 g/mol, XLogP of 17.85, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-(9,9-dimethylfluoren-1-yl)phenyl]phenyl]-N-(9-methyl-9-phenylfluoren-4-yl)spiro[adamantane-2,9'-fluorene]-2'-amine is sourced from PubChem (CID 170218070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).