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

C57H57N — CID 176595472

IUPACN-(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
SMILESCC1(C)CCC(C)(C)c2c(-c3ccc(N(c4ccc5c(c4)C4(c6ccccc6-5)C5CC6CC(C5)CC4C6)c4cccc5c4-c4ccccc4C5(C)C)cc3)cccc21
InChIInChI=1S/C57H57N/c1-54(2)27-28-55(3,4)53-42(15-11-19-49(53)54)37-21-23-40(24-22-37)58(51-20-12-18-48-52(51)45-14-8-9-16-46(45)56(48,5)6)41-25-26-44-43-13-7-10-17-47(43)57(50(44)34-41)38-30-35-29-36(32-38)33-39(57)31-35/h7-26,34-36,38-39H,27-33H2,1-6H3
InChIKeyOHDWVDOYLVYIQB-UHFFFAOYSA-N
MW756.09 g/mol
LogP15.20
Rot. Bonds4

About 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

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 (PubChem CID 176595472) has the molecular formula C57H57N and a molecular weight of 756.09 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound NameN-(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
PubChem CID176595472
Molecular FormulaC57H57N
Molecular Weight756.09 g/mol
Exact Mass755.45
IUPAC NameN-(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
SMILESCC1(C)CCC(C)(C)c2c(-c3ccc(N(c4ccc5c(c4)C4(c6ccccc6-5)C5CC6CC(C5)CC4C6)c4cccc5c4-c4ccccc4C5(C)C)cc3)cccc21
InChIInChI=1S/C57H57N/c1-54(2)27-28-55(3,4)53-42(15-11-19-49(53)54)37-21-23-40(24-22-37)58(51-20-12-18-48-52(51)45-14-8-9-16-46(45)56(48,5)6)41-25-26-44-43-13-7-10-17-47(43)57(50(44)34-41)38-30-35-29-36(32-38)33-39(57)31-35/h7-26,34-36,38-39H,27-33H2,1-6H3
InChIKeyOHDWVDOYLVYIQB-UHFFFAOYSA-N
XLogP15.20
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500756.09
LogP ≤ 515.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 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 with MolForge

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Related Compounds

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)-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)-4'-phenyl-N-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-1-yl)spiro[adamantane-2,9'-fluorene]-2'-amine
CID 176595609
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
7'-phenyl-N-(4-phenylphenyl)-N-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-1-yl)spiro[adamantane-2,9'-fluorene]-2'-amine
CID 176595541
N-(9,9-dimethylfluoren-2-yl)-N-[2-(9,9-dimethylfluoren-4-yl)phenyl]spiro[adamantane-2,9'-fluorene]-2'-amine
CID 170143589
N-(4-phenylphenyl)-N-[2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-1-yl)phenyl]spiro[adamantane-2,9'-fluorene]-4'-amine
CID 176595500
CID 174099797
CID 174099797
5,5,8,8-tetramethyl-N-phenyl-N-(4-spiro[adamantane-2,9'-fluorene]-4'-ylphenyl)-6,7-dihydronaphthalen-1-amine
CID 176596011
N-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-1-yl)-N-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)spiro[adamantane-2,9'-fluorene]-4'-amine
CID 176595228
1'-phenyl-N-(4-phenylphenyl)-N-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)spiro[adamantane-2,9'-fluorene]-4'-amine
CID 176595793
N-[4-(1-adamantyl)phenyl]-N-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-1-yl)spiro[adamantane-2,9'-fluorene]-2'-amine
CID 176595348

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC1(C)CCC(C)(C)c2c(-c3ccc(N(c4ccc5c(c4)C4(c6ccccc6-5)C5CC6CC(C5)CC4C6)c4cccc5c4-c4ccccc4C5(C)C)cc3)cccc21.
What is the InChIKey of 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?
The InChIKey is OHDWVDOYLVYIQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H57N/c1-54(2)27-28-55(3,4)53-42(15-11-19-49(53)54)37-21-23-40(24-22-37)58(51-20-12-18-48-52(51)45-14-8-9-16-46(45)56(48,5)6)41-25-26-44-43-13-7-10-17-47(43)57(50(44)34-41)38-30-35-29-36(32-38)33-39(57)31-35/h7-26,34-36,38-39H,27-33H2,1-6H3.
What are the key properties of 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?
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 has a molecular weight of 756.09 g/mol, XLogP of 15.20, 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-4-yl)-N-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-1-yl)phenyl]spiro[adamantane-2,9'-fluorene]-2'-amine is sourced from PubChem (CID 176595472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).