N-(9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)-6-spiro[adamantane-2,9'-fluorene]-4'-ylquinolin-5-amine

C58H48N2 — CID 168734191

IUPACN-(9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)-6-spiro[adamantane-2,9'-fluorene]-4'-ylquinolin-5-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3c(-c4cccc5c4-c4ccccc4C54C5CC6CC(C5)CC4C6)ccc4ncccc34)cc21
InChIInChI=1S/C58H48N2/c1-57(2)50-18-8-6-14-44(50)45-26-25-43(35-53(45)57)60(42-23-21-39(22-24-42)38-12-4-3-5-13-38)56-47(27-28-54-49(56)17-11-29-59-54)46-16-10-20-52-55(46)48-15-7-9-19-51(48)58(52)40-31-36-30-37(33-40)34-41(58)32-36/h3-29,35-37,40-41H,30-34H2,1-2H3
InChIKeyMDRKIRLRLPWJSA-UHFFFAOYSA-N
MW773.04 g/mol
LogP15.07
Rot. Bonds5

About N-(9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)-6-spiro[adamantane-2,9'-fluorene]-4'-ylquinolin-5-amine

N-(9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)-6-spiro[adamantane-2,9'-fluorene]-4'-ylquinolin-5-amine (PubChem CID 168734191) has the molecular formula C58H48N2 and a molecular weight of 773.04 g/mol. Its IUPAC name is N-(9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)-6-spiro[adamantane-2,9'-fluorene]-4'-ylquinolin-5-amine.

Molecular Properties

Compound NameN-(9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)-6-spiro[adamantane-2,9'-fluorene]-4'-ylquinolin-5-amine
PubChem CID168734191
Molecular FormulaC58H48N2
Molecular Weight773.04 g/mol
Exact Mass772.38
IUPAC NameN-(9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)-6-spiro[adamantane-2,9'-fluorene]-4'-ylquinolin-5-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3c(-c4cccc5c4-c4ccccc4C54C5CC6CC(C5)CC4C6)ccc4ncccc34)cc21
InChIInChI=1S/C58H48N2/c1-57(2)50-18-8-6-14-44(50)45-26-25-43(35-53(45)57)60(42-23-21-39(22-24-42)38-12-4-3-5-13-38)56-47(27-28-54-49(56)17-11-29-59-54)46-16-10-20-52-55(46)48-15-7-9-19-51(48)58(52)40-31-36-30-37(33-40)34-41(58)32-36/h3-29,35-37,40-41H,30-34H2,1-2H3
InChIKeyMDRKIRLRLPWJSA-UHFFFAOYSA-N
XLogP15.07
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500773.04
LogP ≤ 515.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-(9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)spiro[adamantane-2,9'-fluorene]-2'-amine
CID 155393837
9,9-dimethyl-N-(4-phenylphenyl)-N-(4-spiro[adamantane-2,9'-fluorene]-2'-ylphenyl)fluoren-2-amine
CID 155393680
9,9-dimethyl-N-(4-phenylphenyl)-N-(3-spiro[adamantane-2,9'-fluorene]-3'-ylphenyl)fluoren-2-amine
CID 156567598
9,9-dimethyl-N-(4-naphthalen-1-ylphenyl)-N-(4-phenylphenyl)-6-spiro[adamantane-2,9'-fluorene]-3'-ylfluoren-2-amine
CID 156568019
N,N-bis(4-phenylphenyl)-3-spiro[adamantane-2,9'-fluorene]-4'-ylaniline;N-(9,9-dimethylfluoren-2-yl)-N-spiro[adamantane-2,9'-fluorene]-4'-yl-1,10-phenanthrolin-3-amine;N-(3-phenylphenyl)-N-(4-phenylphenyl)-2-(3-spiro[adamantane-2,9'-fluorene]-4'-ylphenyl)aniline
CID 159390051
N-(9,9-dimethylfluoren-2-yl)-N-[2-(9,9-dimethylfluoren-4-yl)phenyl]spiro[adamantane-2,9'-fluorene]-2'-amine
CID 170143589
N-(9,9-dimethylfluoren-2-yl)-5'-phenyl-N-(2-phenylphenyl)spiro[adamantane-2,9'-fluorene]-3'-amine
CID 170085165
N-(9,9-dimethylfluoren-2-yl)-6'-phenyl-N-(3-phenylphenyl)spiro[adamantane-2,9'-fluorene]-3'-amine
CID 170085916
9,9-dimethyl-N-(2-phenylphenyl)-N-[4-(4-spiro[adamantane-2,9'-fluorene]-2'-ylphenyl)phenyl]fluoren-2-amine
CID 155399652
N-[4-(4-carbazol-9-ylphenyl)phenyl]-N-(9,9-dimethylfluoren-2-yl)spiro[adamantane-2,9'-fluorene]-4'-amine
CID 160744068
N-(9,9-dimethylfluoren-2-yl)-6'-phenyl-N-(4-phenylnaphthalen-1-yl)spiro[adamantane-2,9'-fluorene]-3'-amine
CID 171736050
9,9-dimethyl-N-phenyl-N-[4-[2-[4-(N-(4-phenylphenyl)anilino)phenyl]-2-adamantyl]phenyl]fluoren-2-amine
CID 168744555

Frequently Asked Questions

What is the IUPAC name of N-(9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)-6-spiro[adamantane-2,9'-fluorene]-4'-ylquinolin-5-amine?
The IUPAC name of N-(9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)-6-spiro[adamantane-2,9'-fluorene]-4'-ylquinolin-5-amine (CID 168734191) is N-(9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)-6-spiro[adamantane-2,9'-fluorene]-4'-ylquinolin-5-amine.
What is the SMILES notation for N-(9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)-6-spiro[adamantane-2,9'-fluorene]-4'-ylquinolin-5-amine?
The canonical SMILES for N-(9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)-6-spiro[adamantane-2,9'-fluorene]-4'-ylquinolin-5-amine is CC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3c(-c4cccc5c4-c4ccccc4C54C5CC6CC(C5)CC4C6)ccc4ncccc34)cc21.
What is the InChIKey of N-(9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)-6-spiro[adamantane-2,9'-fluorene]-4'-ylquinolin-5-amine?
The InChIKey is MDRKIRLRLPWJSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H48N2/c1-57(2)50-18-8-6-14-44(50)45-26-25-43(35-53(45)57)60(42-23-21-39(22-24-42)38-12-4-3-5-13-38)56-47(27-28-54-49(56)17-11-29-59-54)46-16-10-20-52-55(46)48-15-7-9-19-51(48)58(52)40-31-36-30-37(33-40)34-41(58)32-36/h3-29,35-37,40-41H,30-34H2,1-2H3.
What are the key properties of N-(9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)-6-spiro[adamantane-2,9'-fluorene]-4'-ylquinolin-5-amine?
N-(9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)-6-spiro[adamantane-2,9'-fluorene]-4'-ylquinolin-5-amine has a molecular weight of 773.04 g/mol, XLogP of 15.07, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)-6-spiro[adamantane-2,9'-fluorene]-4'-ylquinolin-5-amine is sourced from PubChem (CID 168734191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).