N-phenanthren-2-yl-N-[4-(4-phenylphenyl)phenyl]spiro[adamantane-2,9'-fluorene]-3'-amine

C54H43N — CID 156567832

IUPACN-phenanthren-2-yl-N-[4-(4-phenylphenyl)phenyl]spiro[adamantane-2,9'-fluorene]-3'-amine
SMILESc1ccc(-c2ccc(-c3ccc(N(c4ccc5c(c4)-c4ccccc4C54C5CC6CC(C5)CC4C6)c4ccc5c(ccc6ccccc65)c4)cc3)cc2)cc1
InChIInChI=1S/C54H43N/c1-2-8-37(9-3-1)38-14-16-39(17-15-38)40-20-22-45(23-21-40)55(46-24-26-49-42(33-46)19-18-41-10-4-5-11-48(41)49)47-25-27-53-51(34-47)50-12-6-7-13-52(50)54(53)43-29-35-28-36(31-43)32-44(54)30-35/h1-27,33-36,43-44H,28-32H2
InChIKeyONCWYRUWYWGWFT-UHFFFAOYSA-N
MW705.95 g/mol
LogP14.52
Rot. Bonds5

About N-phenanthren-2-yl-N-[4-(4-phenylphenyl)phenyl]spiro[adamantane-2,9'-fluorene]-3'-amine

N-phenanthren-2-yl-N-[4-(4-phenylphenyl)phenyl]spiro[adamantane-2,9'-fluorene]-3'-amine (PubChem CID 156567832) has the molecular formula C54H43N and a molecular weight of 705.95 g/mol. Its IUPAC name is N-phenanthren-2-yl-N-[4-(4-phenylphenyl)phenyl]spiro[adamantane-2,9'-fluorene]-3'-amine.

Molecular Properties

Compound NameN-phenanthren-2-yl-N-[4-(4-phenylphenyl)phenyl]spiro[adamantane-2,9'-fluorene]-3'-amine
PubChem CID156567832
Molecular FormulaC54H43N
Molecular Weight705.95 g/mol
Exact Mass705.34
IUPAC NameN-phenanthren-2-yl-N-[4-(4-phenylphenyl)phenyl]spiro[adamantane-2,9'-fluorene]-3'-amine
SMILESc1ccc(-c2ccc(-c3ccc(N(c4ccc5c(c4)-c4ccccc4C54C5CC6CC(C5)CC4C6)c4ccc5c(ccc6ccccc65)c4)cc3)cc2)cc1
InChIInChI=1S/C54H43N/c1-2-8-37(9-3-1)38-14-16-39(17-15-38)40-20-22-45(23-21-40)55(46-24-26-49-42(33-46)19-18-41-10-4-5-11-48(41)49)47-25-27-53-51(34-47)50-12-6-7-13-52(50)54(53)43-29-35-28-36(31-43)32-44(54)30-35/h1-27,33-36,43-44H,28-32H2
InChIKeyONCWYRUWYWGWFT-UHFFFAOYSA-N
XLogP14.52
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500705.95
LogP ≤ 514.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

N-naphthalen-2-yl-N-(4-phenanthren-2-ylphenyl)spiro[adamantane-2,9'-fluorene]-3'-amine
CID 156567778
N-phenanthren-2-yl-N-(4-phenylphenyl)spiro[adamantane-2,9'-fluorene]-2'-amine
CID 155393603
N-phenanthren-9-yl-N-(4-phenylphenyl)-7'-[7-(4-phenyl-N-spiro[adamantane-2,9'-fluorene]-3'-ylanilino)phenanthren-2-yl]spiro[adamantane-2,9'-fluorene]-3'-amine
CID 156568027
N-phenanthren-9-yl-N-(4-phenylphenyl)spiro[adamantane-2,9'-fluorene]-3'-amine
CID 156573590
N-phenanthren-2-yl-N-phenylspiro[adamantane-2,9'-fluorene]-2'-amine
CID 155399590
N-phenyl-N-(4-phenylphenyl)spiro[adamantane-2,9'-fluorene]-3'-amine
CID 156567704
N-[4-(3,7-dimethylspiro[bicyclo[3.3.1]nonane-2,9'-fluorene]-3'-yl)phenyl]-N-(4-phenylphenyl)phenanthren-2-amine
CID 166984173
N-(9,9-dimethylfluoren-3-yl)-N-phenylspiro[adamantane-2,9'-fluorene]-2'-amine;N-(3-naphthalen-1-ylphenyl)-N-phenylspiro[adamantane-2,9'-fluorene]-2'-amine;N-(4-phenanthren-2-ylphenyl)-N-phenylspiro[adamantane-2,9'-fluorene]-2'-amine
CID 157226955
N-naphthalen-2-yl-N-(4-spiro[adamantane-2,9'-fluorene]-3'-ylphenyl)phenanthren-9-amine
CID 156567366
N-(4-dibenzofuran-3-ylphenyl)-N-naphthalen-2-ylspiro[adamantane-2,9'-fluorene]-3'-amine
CID 156573683
N-naphthalen-2-yl-N-(3-naphthalen-2-ylphenyl)spiro[adamantane-2,9'-fluorene]-3'-amine
CID 156567511
methane;N-(4-naphthalen-1-ylphenyl)-N-spiro[adamantane-2,9'-fluorene]-3'-yldibenzofuran-3-amine;N-(4-naphthalen-2-ylphenyl)-N-spiro[adamantane-2,9'-fluorene]-3'-yldibenzofuran-3-amine;N-phenanthren-2-yl-N-spiro[adamantane-2,9'-fluorene]-3'-yldibenzofuran-3-amine
CID 163873104

Frequently Asked Questions

What is the IUPAC name of N-phenanthren-2-yl-N-[4-(4-phenylphenyl)phenyl]spiro[adamantane-2,9'-fluorene]-3'-amine?
The IUPAC name of N-phenanthren-2-yl-N-[4-(4-phenylphenyl)phenyl]spiro[adamantane-2,9'-fluorene]-3'-amine (CID 156567832) is N-phenanthren-2-yl-N-[4-(4-phenylphenyl)phenyl]spiro[adamantane-2,9'-fluorene]-3'-amine.
What is the SMILES notation for N-phenanthren-2-yl-N-[4-(4-phenylphenyl)phenyl]spiro[adamantane-2,9'-fluorene]-3'-amine?
The canonical SMILES for N-phenanthren-2-yl-N-[4-(4-phenylphenyl)phenyl]spiro[adamantane-2,9'-fluorene]-3'-amine is c1ccc(-c2ccc(-c3ccc(N(c4ccc5c(c4)-c4ccccc4C54C5CC6CC(C5)CC4C6)c4ccc5c(ccc6ccccc65)c4)cc3)cc2)cc1.
What is the InChIKey of N-phenanthren-2-yl-N-[4-(4-phenylphenyl)phenyl]spiro[adamantane-2,9'-fluorene]-3'-amine?
The InChIKey is ONCWYRUWYWGWFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H43N/c1-2-8-37(9-3-1)38-14-16-39(17-15-38)40-20-22-45(23-21-40)55(46-24-26-49-42(33-46)19-18-41-10-4-5-11-48(41)49)47-25-27-53-51(34-47)50-12-6-7-13-52(50)54(53)43-29-35-28-36(31-43)32-44(54)30-35/h1-27,33-36,43-44H,28-32H2.
What are the key properties of N-phenanthren-2-yl-N-[4-(4-phenylphenyl)phenyl]spiro[adamantane-2,9'-fluorene]-3'-amine?
N-phenanthren-2-yl-N-[4-(4-phenylphenyl)phenyl]spiro[adamantane-2,9'-fluorene]-3'-amine has a molecular weight of 705.95 g/mol, XLogP of 14.52, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenanthren-2-yl-N-[4-(4-phenylphenyl)phenyl]spiro[adamantane-2,9'-fluorene]-3'-amine is sourced from PubChem (CID 156567832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).