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

C58H51N — CID 170143589

IUPACN-(9,9-dimethylfluoren-2-yl)-N-[2-(9,9-dimethylfluoren-4-yl)phenyl]spiro[adamantane-2,9'-fluorene]-2'-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccc4c(c3)C3(c5ccccc5-4)C4CC5CC(C4)CC3C5)c3ccccc3-c3cccc4c3-c3ccccc3C4(C)C)cc21
InChIInChI=1S/C58H51N/c1-56(2)49-20-10-7-17-47(49)55-46(18-13-22-51(55)56)45-16-8-12-23-54(45)59(39-24-26-43-41-14-5-9-19-48(41)57(3,4)52(43)33-39)40-25-27-44-42-15-6-11-21-50(42)58(53(44)34-40)37-29-35-28-36(31-37)32-38(58)30-35/h5-27,33-38H,28-32H2,1-4H3
InChIKeyRYCTZAGYLZNITF-UHFFFAOYSA-N
MW762.05 g/mol
LogP15.16
Rot. Bonds4

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

N-(9,9-dimethylfluoren-2-yl)-N-[2-(9,9-dimethylfluoren-4-yl)phenyl]spiro[adamantane-2,9'-fluorene]-2'-amine (PubChem CID 170143589) has the molecular formula C58H51N and a molecular weight of 762.05 g/mol. Its IUPAC name is N-(9,9-dimethylfluoren-2-yl)-N-[2-(9,9-dimethylfluoren-4-yl)phenyl]spiro[adamantane-2,9'-fluorene]-2'-amine.

Molecular Properties

Compound NameN-(9,9-dimethylfluoren-2-yl)-N-[2-(9,9-dimethylfluoren-4-yl)phenyl]spiro[adamantane-2,9'-fluorene]-2'-amine
PubChem CID170143589
Molecular FormulaC58H51N
Molecular Weight762.05 g/mol
Exact Mass761.40
IUPAC NameN-(9,9-dimethylfluoren-2-yl)-N-[2-(9,9-dimethylfluoren-4-yl)phenyl]spiro[adamantane-2,9'-fluorene]-2'-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccc4c(c3)C3(c5ccccc5-4)C4CC5CC(C4)CC3C5)c3ccccc3-c3cccc4c3-c3ccccc3C4(C)C)cc21
InChIInChI=1S/C58H51N/c1-56(2)49-20-10-7-17-47(49)55-46(18-13-22-51(55)56)45-16-8-12-23-54(45)59(39-24-26-43-41-14-5-9-19-48(41)57(3,4)52(43)33-39)40-25-27-44-42-15-6-11-21-50(42)58(53(44)34-40)37-29-35-28-36(31-37)32-38(58)30-35/h5-27,33-38H,28-32H2,1-4H3
InChIKeyRYCTZAGYLZNITF-UHFFFAOYSA-N
XLogP15.16
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms59
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500762.05
LogP ≤ 515.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N-(9,9-dimethylfluoren-2-yl)-5'-phenyl-N-(2-phenylphenyl)spiro[adamantane-2,9'-fluorene]-3'-amine
CID 170085165
CID 174099797
CID 174099797
N-(9,9-dimethylfluoren-2-yl)-N-[2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-1-yl)phenyl]spiro[adamantane-2,9'-fluorene]-4'-amine
CID 176596082
N-(9,9-dimethylfluoren-2-yl)-N-phenylspiro[adamantane-2,9'-fluorene]-1'-amine
CID 156567349
N-[2-[4-tert-butyl-2-(3,5-ditert-butylphenyl)phenyl]phenyl]-N-(9,9-dimethylfluoren-2-yl)spiro[adamantane-2,9'-fluorene]-2'-amine
CID 174308706
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]-N-(9-methyl-9-phenylfluoren-4-yl)spiro[adamantane-2,9'-fluorene]-2'-amine
CID 170217298
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-(9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)spiro[adamantane-2,9'-fluorene]-2'-amine
CID 155393837
N-[2-(9,9-dimethylfluoren-1-yl)phenyl]-N-phenanthren-2-ylspiro[adamantane-2,9'-fluorene]-2'-amine
CID 170217241
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-(9,9-dimethylfluoren-2-yl)-4'-phenyl-N-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-1-yl)spiro[adamantane-2,9'-fluorene]-2'-amine
CID 176595609

Frequently Asked Questions

What is the IUPAC name of N-(9,9-dimethylfluoren-2-yl)-N-[2-(9,9-dimethylfluoren-4-yl)phenyl]spiro[adamantane-2,9'-fluorene]-2'-amine?
The IUPAC name of N-(9,9-dimethylfluoren-2-yl)-N-[2-(9,9-dimethylfluoren-4-yl)phenyl]spiro[adamantane-2,9'-fluorene]-2'-amine (CID 170143589) is N-(9,9-dimethylfluoren-2-yl)-N-[2-(9,9-dimethylfluoren-4-yl)phenyl]spiro[adamantane-2,9'-fluorene]-2'-amine.
What is the SMILES notation for N-(9,9-dimethylfluoren-2-yl)-N-[2-(9,9-dimethylfluoren-4-yl)phenyl]spiro[adamantane-2,9'-fluorene]-2'-amine?
The canonical SMILES for N-(9,9-dimethylfluoren-2-yl)-N-[2-(9,9-dimethylfluoren-4-yl)phenyl]spiro[adamantane-2,9'-fluorene]-2'-amine is CC1(C)c2ccccc2-c2ccc(N(c3ccc4c(c3)C3(c5ccccc5-4)C4CC5CC(C4)CC3C5)c3ccccc3-c3cccc4c3-c3ccccc3C4(C)C)cc21.
What is the InChIKey of N-(9,9-dimethylfluoren-2-yl)-N-[2-(9,9-dimethylfluoren-4-yl)phenyl]spiro[adamantane-2,9'-fluorene]-2'-amine?
The InChIKey is RYCTZAGYLZNITF-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H51N/c1-56(2)49-20-10-7-17-47(49)55-46(18-13-22-51(55)56)45-16-8-12-23-54(45)59(39-24-26-43-41-14-5-9-19-48(41)57(3,4)52(43)33-39)40-25-27-44-42-15-6-11-21-50(42)58(53(44)34-40)37-29-35-28-36(31-37)32-38(58)30-35/h5-27,33-38H,28-32H2,1-4H3.
What are the key properties of N-(9,9-dimethylfluoren-2-yl)-N-[2-(9,9-dimethylfluoren-4-yl)phenyl]spiro[adamantane-2,9'-fluorene]-2'-amine?
N-(9,9-dimethylfluoren-2-yl)-N-[2-(9,9-dimethylfluoren-4-yl)phenyl]spiro[adamantane-2,9'-fluorene]-2'-amine has a molecular weight of 762.05 g/mol, XLogP of 15.16, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(9,9-dimethylfluoren-2-yl)-N-[2-(9,9-dimethylfluoren-4-yl)phenyl]spiro[adamantane-2,9'-fluorene]-2'-amine is sourced from PubChem (CID 170143589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).