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

C65H49N — CID 167413747

IUPACN-(2-phenylphenyl)-N-(4-spiro[adamantane-2,9'-fluorene]-2'-ylphenyl)-9,9'-spirobi[fluorene]-2-amine
SMILESc1ccc(-c2ccccc2N(c2ccc(-c3ccc4c(c3)C3(c5ccccc5-4)C4CC5CC(C4)CC3C5)cc2)c2ccc3c(c2)C2(c4ccccc4-c4ccccc42)c2ccccc2-3)cc1
InChIInChI=1S/C65H49N/c1-2-14-44(15-3-1)50-16-8-13-25-63(50)66(49-31-33-56-54-20-7-12-24-60(54)65(62(56)40-49)58-22-10-5-17-51(58)52-18-6-11-23-59(52)65)48-29-26-43(27-30-48)45-28-32-55-53-19-4-9-21-57(53)64(61(55)39-45)46-35-41-34-42(37-46)38-47(64)36-41/h1-33,39-42,46-47H,34-38H2
InChIKeyGGTRBBYPUPKSRA-UHFFFAOYSA-N
MW844.11 g/mol
LogP16.56
Rot. Bonds5

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

N-(2-phenylphenyl)-N-(4-spiro[adamantane-2,9'-fluorene]-2'-ylphenyl)-9,9'-spirobi[fluorene]-2-amine (PubChem CID 167413747) has the molecular formula C65H49N and a molecular weight of 844.11 g/mol. Its IUPAC name is N-(2-phenylphenyl)-N-(4-spiro[adamantane-2,9'-fluorene]-2'-ylphenyl)-9,9'-spirobi[fluorene]-2-amine.

Molecular Properties

Compound NameN-(2-phenylphenyl)-N-(4-spiro[adamantane-2,9'-fluorene]-2'-ylphenyl)-9,9'-spirobi[fluorene]-2-amine
PubChem CID167413747
Molecular FormulaC65H49N
Molecular Weight844.11 g/mol
Exact Mass843.39
IUPAC NameN-(2-phenylphenyl)-N-(4-spiro[adamantane-2,9'-fluorene]-2'-ylphenyl)-9,9'-spirobi[fluorene]-2-amine
SMILESc1ccc(-c2ccccc2N(c2ccc(-c3ccc4c(c3)C3(c5ccccc5-4)C4CC5CC(C4)CC3C5)cc2)c2ccc3c(c2)C2(c4ccccc4-c4ccccc42)c2ccccc2-3)cc1
InChIInChI=1S/C65H49N/c1-2-14-44(15-3-1)50-16-8-13-25-63(50)66(49-31-33-56-54-20-7-12-24-60(54)65(62(56)40-49)58-22-10-5-17-51(58)52-18-6-11-23-59(52)65)48-29-26-43(27-30-48)45-28-32-55-53-19-4-9-21-57(53)64(61(55)39-45)46-35-41-34-42(37-46)38-47(64)36-41/h1-33,39-42,46-47H,34-38H2
InChIKeyGGTRBBYPUPKSRA-UHFFFAOYSA-N
XLogP16.56
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms66
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500844.11
LogP ≤ 516.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

9,9-dimethyl-N-(2-phenylphenyl)-N-[4-(4-spiro[adamantane-2,9'-fluorene]-2'-ylphenyl)phenyl]fluoren-2-amine
CID 155399652
2',7'-ditert-butyl-N-(2-phenylphenyl)-N-(3-spiro[adamantane-2,9'-fluorene]-2'-ylphenyl)-9,9'-spirobi[fluorene]-2-amine
CID 167413771
N-(2-phenylphenyl)-N-(7'-phenylspiro[1,3-dihydroindene-2,9'-fluorene]-2'-yl)spiro[adamantane-2,9'-fluorene]-2'-amine
CID 174309937
6-phenyl-N-(4-phenylphenyl)-N-(2-spiro[adamantane-2,9'-fluorene]-1'-ylphenyl)-9,9'-spirobi[fluorene]-2-amine
CID 168734200
N-(9,9-diphenylfluoren-2-yl)-N-(4-phenylphenyl)spiro[adamantane-2,9'-fluorene]-2'-amine
CID 155399626
N-phenyl-N-(4-phenylphenyl)spiro[adamantane-2,9'-fluorene]-2'-amine
CID 155393636
9,9-dimethyl-N-(4-phenylphenyl)-N-(4-spiro[adamantane-2,9'-fluorene]-2'-ylphenyl)fluoren-2-amine
CID 155393680
N-[2-(4-phenylphenyl)phenyl]-N-spiro[adamantane-2,9'-fluorene]-3'-ylspiro[fluorene-9,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaene]-3-amine
CID 167413813
N-(4-phenanthren-9-ylphenyl)-N-(2-phenylphenyl)spiro[adamantane-2,9'-fluorene]-2'-amine
CID 155393870
N-(2,4-diphenylphenyl)-N-naphthalen-2-ylspiro[adamantane-2,9'-fluorene]-2'-amine
CID 155393830
CID 159077369
CID 159077369
N-(9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)spiro[adamantane-2,9'-fluorene]-2'-amine
CID 155393837

Frequently Asked Questions

What is the IUPAC name of N-(2-phenylphenyl)-N-(4-spiro[adamantane-2,9'-fluorene]-2'-ylphenyl)-9,9'-spirobi[fluorene]-2-amine?
The IUPAC name of N-(2-phenylphenyl)-N-(4-spiro[adamantane-2,9'-fluorene]-2'-ylphenyl)-9,9'-spirobi[fluorene]-2-amine (CID 167413747) is N-(2-phenylphenyl)-N-(4-spiro[adamantane-2,9'-fluorene]-2'-ylphenyl)-9,9'-spirobi[fluorene]-2-amine.
What is the SMILES notation for N-(2-phenylphenyl)-N-(4-spiro[adamantane-2,9'-fluorene]-2'-ylphenyl)-9,9'-spirobi[fluorene]-2-amine?
The canonical SMILES for N-(2-phenylphenyl)-N-(4-spiro[adamantane-2,9'-fluorene]-2'-ylphenyl)-9,9'-spirobi[fluorene]-2-amine is c1ccc(-c2ccccc2N(c2ccc(-c3ccc4c(c3)C3(c5ccccc5-4)C4CC5CC(C4)CC3C5)cc2)c2ccc3c(c2)C2(c4ccccc4-c4ccccc42)c2ccccc2-3)cc1.
What is the InChIKey of N-(2-phenylphenyl)-N-(4-spiro[adamantane-2,9'-fluorene]-2'-ylphenyl)-9,9'-spirobi[fluorene]-2-amine?
The InChIKey is GGTRBBYPUPKSRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C65H49N/c1-2-14-44(15-3-1)50-16-8-13-25-63(50)66(49-31-33-56-54-20-7-12-24-60(54)65(62(56)40-49)58-22-10-5-17-51(58)52-18-6-11-23-59(52)65)48-29-26-43(27-30-48)45-28-32-55-53-19-4-9-21-57(53)64(61(55)39-45)46-35-41-34-42(37-46)38-47(64)36-41/h1-33,39-42,46-47H,34-38H2.
What are the key properties of N-(2-phenylphenyl)-N-(4-spiro[adamantane-2,9'-fluorene]-2'-ylphenyl)-9,9'-spirobi[fluorene]-2-amine?
N-(2-phenylphenyl)-N-(4-spiro[adamantane-2,9'-fluorene]-2'-ylphenyl)-9,9'-spirobi[fluorene]-2-amine has a molecular weight of 844.11 g/mol, XLogP of 16.56, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-phenylphenyl)-N-(4-spiro[adamantane-2,9'-fluorene]-2'-ylphenyl)-9,9'-spirobi[fluorene]-2-amine is sourced from PubChem (CID 167413747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).