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

C69H57N — CID 170217031

IUPACN-[2-(9,9-dimethylfluoren-1-yl)phenyl]-N-[4-(9-methyl-9-phenylfluoren-2-yl)phenyl]spiro[adamantane-2,9'-fluorene]-2'-amine
SMILESCC1(C)c2ccccc2-c2cccc(-c3ccccc3N(c3ccc(-c4ccc5c(c4)C(C)(c4ccccc4)c4ccccc4-5)cc3)c3ccc4c(c3)C3(c5ccccc5-4)C4CC5CC(C4)CC3C5)c21
InChIInChI=1S/C69H57N/c1-67(2)60-24-11-7-20-54(60)58-22-15-23-59(66(58)67)57-21-10-14-27-65(57)70(51-33-35-56-53-19-9-13-26-62(53)69(64(56)42-51)48-37-43-36-44(39-48)40-49(69)38-43)50-31-28-45(29-32-50)46-30-34-55-52-18-8-12-25-61(52)68(3,63(55)41-46)47-16-5-4-6-17-47/h4-35,41-44,48-49H,36-40H2,1-3H3
InChIKeyPXELOUXEFXYWRM-UHFFFAOYSA-N
MW900.22 g/mol
LogP17.85
Rot. Bonds6

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

N-[2-(9,9-dimethylfluoren-1-yl)phenyl]-N-[4-(9-methyl-9-phenylfluoren-2-yl)phenyl]spiro[adamantane-2,9'-fluorene]-2'-amine (PubChem CID 170217031) has the molecular formula C69H57N and a molecular weight of 900.22 g/mol. Its IUPAC name is N-[2-(9,9-dimethylfluoren-1-yl)phenyl]-N-[4-(9-methyl-9-phenylfluoren-2-yl)phenyl]spiro[adamantane-2,9'-fluorene]-2'-amine.

Molecular Properties

Compound NameN-[2-(9,9-dimethylfluoren-1-yl)phenyl]-N-[4-(9-methyl-9-phenylfluoren-2-yl)phenyl]spiro[adamantane-2,9'-fluorene]-2'-amine
PubChem CID170217031
Molecular FormulaC69H57N
Molecular Weight900.22 g/mol
Exact Mass899.45
IUPAC NameN-[2-(9,9-dimethylfluoren-1-yl)phenyl]-N-[4-(9-methyl-9-phenylfluoren-2-yl)phenyl]spiro[adamantane-2,9'-fluorene]-2'-amine
SMILESCC1(C)c2ccccc2-c2cccc(-c3ccccc3N(c3ccc(-c4ccc5c(c4)C(C)(c4ccccc4)c4ccccc4-5)cc3)c3ccc4c(c3)C3(c5ccccc5-4)C4CC5CC(C4)CC3C5)c21
InChIInChI=1S/C69H57N/c1-67(2)60-24-11-7-20-54(60)58-22-15-23-59(66(58)67)57-21-10-14-27-65(57)70(51-33-35-56-53-19-9-13-26-62(53)69(64(56)42-51)48-37-43-36-44(39-48)40-49(69)38-43)50-31-28-45(29-32-50)46-30-34-55-52-18-8-12-25-61(52)68(3,63(55)41-46)47-16-5-4-6-17-47/h4-35,41-44,48-49H,36-40H2,1-3H3
InChIKeyPXELOUXEFXYWRM-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

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Related Compounds

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-[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
N-[2-(9,9-dimethylfluoren-1-yl)phenyl]-N-(9-methyl-9-phenylfluoren-4-yl)spiro[adamantane-2,9'-fluorene]-2'-amine
CID 170217298
9,9-dimethyl-N-(2-phenylphenyl)-N-[4-(4-spiro[adamantane-2,9'-fluorene]-2'-ylphenyl)phenyl]fluoren-2-amine
CID 155399652
N-[2-(9,9-dimethylfluoren-1-yl)phenyl]-9-methyl-9-phenyl-N-[4-[4-(4-phenylphenyl)phenyl]phenyl]fluoren-2-amine
CID 170218423
9,9-dimethyl-N-(4-phenylphenyl)-N-(4-spiro[adamantane-2,9'-fluorene]-2'-ylphenyl)fluoren-2-amine
CID 155393680
N-[2-(9,9-dimethylfluoren-1-yl)phenyl]-N-(4-phenanthren-9-ylphenyl)spiro[adamantane-2,9'-fluorene]-2'-amine
CID 170217331
N-[4-(9,9-dimethylfluoren-1-yl)phenyl]-9-methyl-9-phenyl-N-[2-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 170215500
N-[2-(9,9-dimethylfluoren-1-yl)phenyl]-N-[2-(9,9-dimethylfluoren-2-yl)phenyl]-9-methyl-9-phenylfluoren-2-amine
CID 170216915
N-[4-[2-(9,9-dimethylfluoren-1-yl)phenyl]phenyl]-N-[4-(9-methyl-9-phenylfluoren-2-yl)phenyl]-2-(4-phenylphenyl)aniline
CID 170217614
N-(9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)spiro[adamantane-2,9'-fluorene]-2'-amine
CID 155393837
N-(2-dibenzofuran-1-ylphenyl)-N-[4-(9,9-dimethylfluoren-1-yl)phenyl]spiro[adamantane-2,9'-fluorene]-2'-amine
CID 170215998

Frequently Asked Questions

What is the IUPAC name of N-[2-(9,9-dimethylfluoren-1-yl)phenyl]-N-[4-(9-methyl-9-phenylfluoren-2-yl)phenyl]spiro[adamantane-2,9'-fluorene]-2'-amine?
The IUPAC name of 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) is N-[2-(9,9-dimethylfluoren-1-yl)phenyl]-N-[4-(9-methyl-9-phenylfluoren-2-yl)phenyl]spiro[adamantane-2,9'-fluorene]-2'-amine.
What is the SMILES notation for N-[2-(9,9-dimethylfluoren-1-yl)phenyl]-N-[4-(9-methyl-9-phenylfluoren-2-yl)phenyl]spiro[adamantane-2,9'-fluorene]-2'-amine?
The canonical SMILES for N-[2-(9,9-dimethylfluoren-1-yl)phenyl]-N-[4-(9-methyl-9-phenylfluoren-2-yl)phenyl]spiro[adamantane-2,9'-fluorene]-2'-amine is CC1(C)c2ccccc2-c2cccc(-c3ccccc3N(c3ccc(-c4ccc5c(c4)C(C)(c4ccccc4)c4ccccc4-5)cc3)c3ccc4c(c3)C3(c5ccccc5-4)C4CC5CC(C4)CC3C5)c21.
What is the InChIKey of N-[2-(9,9-dimethylfluoren-1-yl)phenyl]-N-[4-(9-methyl-9-phenylfluoren-2-yl)phenyl]spiro[adamantane-2,9'-fluorene]-2'-amine?
The InChIKey is PXELOUXEFXYWRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C69H57N/c1-67(2)60-24-11-7-20-54(60)58-22-15-23-59(66(58)67)57-21-10-14-27-65(57)70(51-33-35-56-53-19-9-13-26-62(53)69(64(56)42-51)48-37-43-36-44(39-48)40-49(69)38-43)50-31-28-45(29-32-50)46-30-34-55-52-18-8-12-25-61(52)68(3,63(55)41-46)47-16-5-4-6-17-47/h4-35,41-44,48-49H,36-40H2,1-3H3.
What are the key properties of N-[2-(9,9-dimethylfluoren-1-yl)phenyl]-N-[4-(9-methyl-9-phenylfluoren-2-yl)phenyl]spiro[adamantane-2,9'-fluorene]-2'-amine?
N-[2-(9,9-dimethylfluoren-1-yl)phenyl]-N-[4-(9-methyl-9-phenylfluoren-2-yl)phenyl]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-[2-(9,9-dimethylfluoren-1-yl)phenyl]-N-[4-(9-methyl-9-phenylfluoren-2-yl)phenyl]spiro[adamantane-2,9'-fluorene]-2'-amine is sourced from PubChem (CID 170217031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).