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

C59H47N — CID 155399626

IUPACN-(9,9-diphenylfluoren-2-yl)-N-(4-phenylphenyl)spiro[adamantane-2,9'-fluorene]-2'-amine
SMILESc1ccc(-c2ccc(N(c3ccc4c(c3)C(c3ccccc3)(c3ccccc3)c3ccccc3-4)c3ccc4c(c3)C3(c5ccccc5-4)C4CC5CC(C4)CC3C5)cc2)cc1
InChIInChI=1S/C59H47N/c1-4-14-41(15-5-1)42-24-26-47(27-25-42)60(49-29-31-53-51-21-11-13-23-55(51)59(57(53)38-49)45-33-39-32-40(35-45)36-46(59)34-39)48-28-30-52-50-20-10-12-22-54(50)58(56(52)37-48,43-16-6-2-7-17-43)44-18-8-3-9-19-44/h1-31,37-40,45-46H,32-36H2
InChIKeyATCABDPHVJBRLX-UHFFFAOYSA-N
MW770.03 g/mol
LogP14.91
Rot. Bonds6

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

N-(9,9-diphenylfluoren-2-yl)-N-(4-phenylphenyl)spiro[adamantane-2,9'-fluorene]-2'-amine (PubChem CID 155399626) has the molecular formula C59H47N and a molecular weight of 770.03 g/mol. Its IUPAC name is N-(9,9-diphenylfluoren-2-yl)-N-(4-phenylphenyl)spiro[adamantane-2,9'-fluorene]-2'-amine.

Molecular Properties

Compound NameN-(9,9-diphenylfluoren-2-yl)-N-(4-phenylphenyl)spiro[adamantane-2,9'-fluorene]-2'-amine
PubChem CID155399626
Molecular FormulaC59H47N
Molecular Weight770.03 g/mol
Exact Mass769.37
IUPAC NameN-(9,9-diphenylfluoren-2-yl)-N-(4-phenylphenyl)spiro[adamantane-2,9'-fluorene]-2'-amine
SMILESc1ccc(-c2ccc(N(c3ccc4c(c3)C(c3ccccc3)(c3ccccc3)c3ccccc3-4)c3ccc4c(c3)C3(c5ccccc5-4)C4CC5CC(C4)CC3C5)cc2)cc1
InChIInChI=1S/C59H47N/c1-4-14-41(15-5-1)42-24-26-47(27-25-42)60(49-29-31-53-51-21-11-13-23-55(51)59(57(53)38-49)45-33-39-32-40(35-45)36-46(59)34-39)48-28-30-52-50-20-10-12-22-54(50)58(56(52)37-48,43-16-6-2-7-17-43)44-18-8-3-9-19-44/h1-31,37-40,45-46H,32-36H2
InChIKeyATCABDPHVJBRLX-UHFFFAOYSA-N
XLogP14.91
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500770.03
LogP ≤ 514.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N-phenyl-N-(4-phenylphenyl)spiro[adamantane-2,9'-fluorene]-2'-amine
CID 155393636
CID 159077369
CID 159077369
N-(9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)spiro[adamantane-2,9'-fluorene]-2'-amine
CID 155393837
N-(2-phenylphenyl)-N-(4-spiro[adamantane-2,9'-fluorene]-2'-ylphenyl)-9,9'-spirobi[fluorene]-2-amine
CID 167413747
N-phenyl-N-(4-phenylphenyl)spiro[adamantane-2,9'-fluorene]-3'-amine
CID 156567704
9,9-dimethyl-N-(4-phenylphenyl)-N-(4-spiro[adamantane-2,9'-fluorene]-2'-ylphenyl)fluoren-2-amine
CID 155393680
N,9,9-triphenyl-N-(4-phenylphenyl)fluoren-2-amine
CID 86198899
9,9-diphenyl-N-[4-(9-phenylfluoren-9-yl)phenyl]-N-[4-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 121464320
N-phenanthren-2-yl-N-(4-phenylphenyl)spiro[adamantane-2,9'-fluorene]-2'-amine
CID 155393603
N-(4-phenylphenyl)-N-[(2R)-spiro[bicyclo[2.2.1]heptane-2,9'-fluorene]-3'-yl]spiro[adamantane-2,9'-fluorene]-2'-amine
CID 168722805
N-(9,9-diphenylfluoren-2-yl)-9,9-diphenyl-N-[4-(2-phenylphenyl)phenyl]fluoren-2-amine
CID 118298160
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-diphenylfluoren-2-yl)-N-(4-phenylphenyl)spiro[adamantane-2,9'-fluorene]-2'-amine?
The IUPAC name of N-(9,9-diphenylfluoren-2-yl)-N-(4-phenylphenyl)spiro[adamantane-2,9'-fluorene]-2'-amine (CID 155399626) is N-(9,9-diphenylfluoren-2-yl)-N-(4-phenylphenyl)spiro[adamantane-2,9'-fluorene]-2'-amine.
What is the SMILES notation for N-(9,9-diphenylfluoren-2-yl)-N-(4-phenylphenyl)spiro[adamantane-2,9'-fluorene]-2'-amine?
The canonical SMILES for N-(9,9-diphenylfluoren-2-yl)-N-(4-phenylphenyl)spiro[adamantane-2,9'-fluorene]-2'-amine is c1ccc(-c2ccc(N(c3ccc4c(c3)C(c3ccccc3)(c3ccccc3)c3ccccc3-4)c3ccc4c(c3)C3(c5ccccc5-4)C4CC5CC(C4)CC3C5)cc2)cc1.
What is the InChIKey of N-(9,9-diphenylfluoren-2-yl)-N-(4-phenylphenyl)spiro[adamantane-2,9'-fluorene]-2'-amine?
The InChIKey is ATCABDPHVJBRLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C59H47N/c1-4-14-41(15-5-1)42-24-26-47(27-25-42)60(49-29-31-53-51-21-11-13-23-55(51)59(57(53)38-49)45-33-39-32-40(35-45)36-46(59)34-39)48-28-30-52-50-20-10-12-22-54(50)58(56(52)37-48,43-16-6-2-7-17-43)44-18-8-3-9-19-44/h1-31,37-40,45-46H,32-36H2.
What are the key properties of N-(9,9-diphenylfluoren-2-yl)-N-(4-phenylphenyl)spiro[adamantane-2,9'-fluorene]-2'-amine?
N-(9,9-diphenylfluoren-2-yl)-N-(4-phenylphenyl)spiro[adamantane-2,9'-fluorene]-2'-amine has a molecular weight of 770.03 g/mol, XLogP of 14.91, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(9,9-diphenylfluoren-2-yl)-N-(4-phenylphenyl)spiro[adamantane-2,9'-fluorene]-2'-amine is sourced from PubChem (CID 155399626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).