6-phenyl-N-(4-phenylphenyl)-N-(2-spiro[adamantane-2,9'-fluorene]-1'-ylphenyl)-9,9'-spirobi[fluorene]-2-amine

C71H53N — CID 168734200

IUPAC6-phenyl-N-(4-phenylphenyl)-N-(2-spiro[adamantane-2,9'-fluorene]-1'-ylphenyl)-9,9'-spirobi[fluorene]-2-amine
SMILESc1ccc(-c2ccc(N(c3ccc4c(c3)C3(c5ccccc5-c5ccccc53)c3ccc(-c5ccccc5)cc3-4)c3ccccc3-c3cccc4c3C3(c5ccccc5-4)C4CC5CC(C4)CC3C5)cc2)cc1
InChIInChI=1S/C71H53N/c1-3-16-47(17-4-1)49-30-33-53(34-31-49)72(68-29-14-10-23-59(68)61-25-15-24-60-57-22-9-11-26-63(57)70(69(60)61)51-39-45-38-46(41-51)42-52(70)40-45)54-35-36-58-62-43-50(48-18-5-2-6-19-48)32-37-66(62)71(67(58)44-54)64-27-12-7-20-55(64)56-21-8-13-28-65(56)71/h1-37,43-46,51-52H,38-42H2
InChIKeyKDQPNLJCCUFGGV-UHFFFAOYSA-N
MW920.21 g/mol
LogP18.22
Rot. Bonds6

About 6-phenyl-N-(4-phenylphenyl)-N-(2-spiro[adamantane-2,9'-fluorene]-1'-ylphenyl)-9,9'-spirobi[fluorene]-2-amine

6-phenyl-N-(4-phenylphenyl)-N-(2-spiro[adamantane-2,9'-fluorene]-1'-ylphenyl)-9,9'-spirobi[fluorene]-2-amine (PubChem CID 168734200) has the molecular formula C71H53N and a molecular weight of 920.21 g/mol. Its IUPAC name is 6-phenyl-N-(4-phenylphenyl)-N-(2-spiro[adamantane-2,9'-fluorene]-1'-ylphenyl)-9,9'-spirobi[fluorene]-2-amine.

Molecular Properties

Compound Name6-phenyl-N-(4-phenylphenyl)-N-(2-spiro[adamantane-2,9'-fluorene]-1'-ylphenyl)-9,9'-spirobi[fluorene]-2-amine
PubChem CID168734200
Molecular FormulaC71H53N
Molecular Weight920.21 g/mol
Exact Mass919.42
IUPAC Name6-phenyl-N-(4-phenylphenyl)-N-(2-spiro[adamantane-2,9'-fluorene]-1'-ylphenyl)-9,9'-spirobi[fluorene]-2-amine
SMILESc1ccc(-c2ccc(N(c3ccc4c(c3)C3(c5ccccc5-c5ccccc53)c3ccc(-c5ccccc5)cc3-4)c3ccccc3-c3cccc4c3C3(c5ccccc5-4)C4CC5CC(C4)CC3C5)cc2)cc1
InChIInChI=1S/C71H53N/c1-3-16-47(17-4-1)49-30-33-53(34-31-49)72(68-29-14-10-23-59(68)61-25-15-24-60-57-22-9-11-26-63(57)70(69(60)61)51-39-45-38-46(41-51)42-52(70)40-45)54-35-36-58-62-43-50(48-18-5-2-6-19-48)32-37-66(62)71(67(58)44-54)64-27-12-7-20-55(64)56-21-8-13-28-65(56)71/h1-37,43-46,51-52H,38-42H2
InChIKeyKDQPNLJCCUFGGV-UHFFFAOYSA-N
XLogP18.22
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms72
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500920.21
LogP ≤ 518.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N-(2-phenylphenyl)-N-(4-spiro[adamantane-2,9'-fluorene]-2'-ylphenyl)-9,9'-spirobi[fluorene]-2-amine
CID 167413747
9,9-dimethyl-N-(4-phenylphenyl)-N-(3-spiro[adamantane-2,9'-fluorene]-3'-ylphenyl)fluoren-2-amine
CID 156567598
CID 159077369
CID 159077369
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-(9,9-diphenylfluoren-2-yl)-N-(4-phenylphenyl)spiro[adamantane-2,9'-fluorene]-2'-amine
CID 155399626
9,9-dimethyl-N-(2-phenylphenyl)-N-[4-(4-spiro[adamantane-2,9'-fluorene]-2'-ylphenyl)phenyl]fluoren-2-amine
CID 155399652
N-(9,9-dimethylfluoren-2-yl)-6'-phenyl-N-(3-phenylphenyl)spiro[adamantane-2,9'-fluorene]-3'-amine
CID 170085916
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-phenyl-N-(4-phenylphenyl)spiro[adamantane-2,9'-fluorene]-2'-amine
CID 155393636
N-phenyl-N-(4-phenylphenyl)spiro[adamantane-2,9'-fluorene]-3'-amine
CID 156567704
2,7-ditert-butyl-10,10-dimethyl-N-[4-(4-phenylphenyl)phenyl]-N-spiro[adamantane-2,9'-fluorene]-2'-ylspiro[anthracene-9,9'-fluorene]-1'-amine
CID 167413683
N-(2,4-diphenylphenyl)-N-(4-phenylnaphthalen-1-yl)spiro[adamantane-2,9'-fluorene]-3'-amine
CID 156567475

Frequently Asked Questions

What is the IUPAC name of 6-phenyl-N-(4-phenylphenyl)-N-(2-spiro[adamantane-2,9'-fluorene]-1'-ylphenyl)-9,9'-spirobi[fluorene]-2-amine?
The IUPAC name of 6-phenyl-N-(4-phenylphenyl)-N-(2-spiro[adamantane-2,9'-fluorene]-1'-ylphenyl)-9,9'-spirobi[fluorene]-2-amine (CID 168734200) is 6-phenyl-N-(4-phenylphenyl)-N-(2-spiro[adamantane-2,9'-fluorene]-1'-ylphenyl)-9,9'-spirobi[fluorene]-2-amine.
What is the SMILES notation for 6-phenyl-N-(4-phenylphenyl)-N-(2-spiro[adamantane-2,9'-fluorene]-1'-ylphenyl)-9,9'-spirobi[fluorene]-2-amine?
The canonical SMILES for 6-phenyl-N-(4-phenylphenyl)-N-(2-spiro[adamantane-2,9'-fluorene]-1'-ylphenyl)-9,9'-spirobi[fluorene]-2-amine is c1ccc(-c2ccc(N(c3ccc4c(c3)C3(c5ccccc5-c5ccccc53)c3ccc(-c5ccccc5)cc3-4)c3ccccc3-c3cccc4c3C3(c5ccccc5-4)C4CC5CC(C4)CC3C5)cc2)cc1.
What is the InChIKey of 6-phenyl-N-(4-phenylphenyl)-N-(2-spiro[adamantane-2,9'-fluorene]-1'-ylphenyl)-9,9'-spirobi[fluorene]-2-amine?
The InChIKey is KDQPNLJCCUFGGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C71H53N/c1-3-16-47(17-4-1)49-30-33-53(34-31-49)72(68-29-14-10-23-59(68)61-25-15-24-60-57-22-9-11-26-63(57)70(69(60)61)51-39-45-38-46(41-51)42-52(70)40-45)54-35-36-58-62-43-50(48-18-5-2-6-19-48)32-37-66(62)71(67(58)44-54)64-27-12-7-20-55(64)56-21-8-13-28-65(56)71/h1-37,43-46,51-52H,38-42H2.
What are the key properties of 6-phenyl-N-(4-phenylphenyl)-N-(2-spiro[adamantane-2,9'-fluorene]-1'-ylphenyl)-9,9'-spirobi[fluorene]-2-amine?
6-phenyl-N-(4-phenylphenyl)-N-(2-spiro[adamantane-2,9'-fluorene]-1'-ylphenyl)-9,9'-spirobi[fluorene]-2-amine has a molecular weight of 920.21 g/mol, XLogP of 18.22, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-phenyl-N-(4-phenylphenyl)-N-(2-spiro[adamantane-2,9'-fluorene]-1'-ylphenyl)-9,9'-spirobi[fluorene]-2-amine is sourced from PubChem (CID 168734200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).