3-phenyl-N,N-bis(4-phenylphenyl)-5-spiro[adamantane-2,9'-fluorene]-3'-ylaniline

C58H47N — CID 156573524

IUPAC3-phenyl-N,N-bis(4-phenylphenyl)-5-spiro[adamantane-2,9'-fluorene]-3'-ylaniline
SMILESc1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3cc(-c4ccccc4)cc(-c4ccc5c(c4)-c4ccccc4C54C5CC6CC(C5)CC4C6)c3)cc2)cc1
InChIInChI=1S/C58H47N/c1-4-12-41(13-5-1)44-20-25-51(26-21-44)59(52-27-22-45(23-28-52)42-14-6-2-7-15-42)53-36-47(43-16-8-3-9-17-43)35-48(37-53)46-24-29-57-55(38-46)54-18-10-11-19-56(54)58(57)49-31-39-30-40(33-49)34-50(58)32-39/h1-29,35-40,49-50H,30-34H2
InChIKeyNBZFQFRSBWYJCL-UHFFFAOYSA-N
MW758.02 g/mol
LogP15.55
Rot. Bonds7

About 3-phenyl-N,N-bis(4-phenylphenyl)-5-spiro[adamantane-2,9'-fluorene]-3'-ylaniline

3-phenyl-N,N-bis(4-phenylphenyl)-5-spiro[adamantane-2,9'-fluorene]-3'-ylaniline (PubChem CID 156573524) has the molecular formula C58H47N and a molecular weight of 758.02 g/mol. Its IUPAC name is 3-phenyl-N,N-bis(4-phenylphenyl)-5-spiro[adamantane-2,9'-fluorene]-3'-ylaniline.

Molecular Properties

Compound Name3-phenyl-N,N-bis(4-phenylphenyl)-5-spiro[adamantane-2,9'-fluorene]-3'-ylaniline
PubChem CID156573524
Molecular FormulaC58H47N
Molecular Weight758.02 g/mol
Exact Mass757.37
IUPAC Name3-phenyl-N,N-bis(4-phenylphenyl)-5-spiro[adamantane-2,9'-fluorene]-3'-ylaniline
SMILESc1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3cc(-c4ccccc4)cc(-c4ccc5c(c4)-c4ccccc4C54C5CC6CC(C5)CC4C6)c3)cc2)cc1
InChIInChI=1S/C58H47N/c1-4-12-41(13-5-1)44-20-25-51(26-21-44)59(52-27-22-45(23-28-52)42-14-6-2-7-15-42)53-36-47(43-16-8-3-9-17-43)35-48(37-53)46-24-29-57-55(38-46)54-18-10-11-19-56(54)58(57)49-31-39-30-40(33-49)34-50(58)32-39/h1-29,35-40,49-50H,30-34H2
InChIKeyNBZFQFRSBWYJCL-UHFFFAOYSA-N
XLogP15.55
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms59
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500758.02
LogP ≤ 515.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N-phenyl-N-(4-phenylphenyl)spiro[adamantane-2,9'-fluorene]-3'-amine
CID 156567704
9,9-dimethyl-N-(4-phenylphenyl)-N-(3-spiro[adamantane-2,9'-fluorene]-3'-ylphenyl)fluoren-2-amine
CID 156567598
N-phenyl-N-(4-phenylphenyl)spiro[adamantane-2,9'-fluorene]-2'-amine
CID 155393636
N-(9,9-dimethylfluoren-2-yl)-6'-phenyl-N-(3-phenylphenyl)spiro[adamantane-2,9'-fluorene]-3'-amine
CID 170085916
CID 159077369
CID 159077369
9-phenyl-N,N-bis(4-phenylphenyl)-6-spiro[adamantane-2,9'-fluorene]-3'-ylcarbazol-3-amine
CID 156568218
N-phenanthren-2-yl-N-[4-(4-phenylphenyl)phenyl]spiro[adamantane-2,9'-fluorene]-3'-amine
CID 156567832
N-(4-phenylphenyl)-N-(3-spiro[adamantane-2,9'-fluorene]-3'-ylphenyl)-9H-fluoren-9-amine
CID 163812608
(1S,2S,3S,7R)-N-[(1S,2R,3S,7R)-3,7-dimethylspiro[bicyclo[3.3.1]nonane-2,9'-fluorene]-3'-yl]-N-(3,5-diphenylphenyl)-3,7-dimethylspiro[bicyclo[3.3.1]nonane-2,9'-fluorene]-3'-amine
CID 168722810
4-(9,9-dimethylfluoren-3-yl)-N-[4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-N-[4-(2-spiro[adamantane-2,9'-fluorene]-3'-ylphenyl)phenyl]aniline;4-phenyl-N-(4-phenylphenyl)-N-[4-(2-spiro[adamantane-2,9'-fluorene]-3'-ylphenyl)phenyl]aniline
CID 160993625
N-naphthalen-2-yl-N-(3-naphthalen-2-ylphenyl)spiro[adamantane-2,9'-fluorene]-3'-amine
CID 156567511
9,9-dimethyl-N-(4-phenylphenyl)-N-(4-spiro[adamantane-2,9'-fluorene]-2'-ylphenyl)fluoren-2-amine
CID 155393680

Frequently Asked Questions

What is the IUPAC name of 3-phenyl-N,N-bis(4-phenylphenyl)-5-spiro[adamantane-2,9'-fluorene]-3'-ylaniline?
The IUPAC name of 3-phenyl-N,N-bis(4-phenylphenyl)-5-spiro[adamantane-2,9'-fluorene]-3'-ylaniline (CID 156573524) is 3-phenyl-N,N-bis(4-phenylphenyl)-5-spiro[adamantane-2,9'-fluorene]-3'-ylaniline.
What is the SMILES notation for 3-phenyl-N,N-bis(4-phenylphenyl)-5-spiro[adamantane-2,9'-fluorene]-3'-ylaniline?
The canonical SMILES for 3-phenyl-N,N-bis(4-phenylphenyl)-5-spiro[adamantane-2,9'-fluorene]-3'-ylaniline is c1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3cc(-c4ccccc4)cc(-c4ccc5c(c4)-c4ccccc4C54C5CC6CC(C5)CC4C6)c3)cc2)cc1.
What is the InChIKey of 3-phenyl-N,N-bis(4-phenylphenyl)-5-spiro[adamantane-2,9'-fluorene]-3'-ylaniline?
The InChIKey is NBZFQFRSBWYJCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H47N/c1-4-12-41(13-5-1)44-20-25-51(26-21-44)59(52-27-22-45(23-28-52)42-14-6-2-7-15-42)53-36-47(43-16-8-3-9-17-43)35-48(37-53)46-24-29-57-55(38-46)54-18-10-11-19-56(54)58(57)49-31-39-30-40(33-49)34-50(58)32-39/h1-29,35-40,49-50H,30-34H2.
What are the key properties of 3-phenyl-N,N-bis(4-phenylphenyl)-5-spiro[adamantane-2,9'-fluorene]-3'-ylaniline?
3-phenyl-N,N-bis(4-phenylphenyl)-5-spiro[adamantane-2,9'-fluorene]-3'-ylaniline has a molecular weight of 758.02 g/mol, XLogP of 15.55, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-N,N-bis(4-phenylphenyl)-5-spiro[adamantane-2,9'-fluorene]-3'-ylaniline is sourced from PubChem (CID 156573524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).