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

C54H43N — CID 155393870

IUPACN-(4-phenanthren-9-ylphenyl)-N-(2-phenylphenyl)spiro[adamantane-2,9'-fluorene]-2'-amine
SMILESc1ccc(-c2ccccc2N(c2ccc(-c3cc4ccccc4c4ccccc34)cc2)c2ccc3c(c2)C2(c4ccccc4-3)C3CC4CC(C3)CC2C4)cc1
InChIInChI=1S/C54H43N/c1-2-12-37(13-3-1)45-16-9-11-21-53(45)55(42-24-22-38(23-25-42)50-33-39-14-4-5-15-44(39)46-17-6-7-18-47(46)50)43-26-27-49-48-19-8-10-20-51(48)54(52(49)34-43)40-29-35-28-36(31-40)32-41(54)30-35/h1-27,33-36,40-41H,28-32H2
InChIKeyAKJZILLUFVKISD-UHFFFAOYSA-N
MW705.95 g/mol
LogP14.52
Rot. Bonds5

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

N-(4-phenanthren-9-ylphenyl)-N-(2-phenylphenyl)spiro[adamantane-2,9'-fluorene]-2'-amine (PubChem CID 155393870) has the molecular formula C54H43N and a molecular weight of 705.95 g/mol. Its IUPAC name is N-(4-phenanthren-9-ylphenyl)-N-(2-phenylphenyl)spiro[adamantane-2,9'-fluorene]-2'-amine.

Molecular Properties

Compound NameN-(4-phenanthren-9-ylphenyl)-N-(2-phenylphenyl)spiro[adamantane-2,9'-fluorene]-2'-amine
PubChem CID155393870
Molecular FormulaC54H43N
Molecular Weight705.95 g/mol
Exact Mass705.34
IUPAC NameN-(4-phenanthren-9-ylphenyl)-N-(2-phenylphenyl)spiro[adamantane-2,9'-fluorene]-2'-amine
SMILESc1ccc(-c2ccccc2N(c2ccc(-c3cc4ccccc4c4ccccc34)cc2)c2ccc3c(c2)C2(c4ccccc4-3)C3CC4CC(C3)CC2C4)cc1
InChIInChI=1S/C54H43N/c1-2-12-37(13-3-1)45-16-9-11-21-53(45)55(42-24-22-38(23-25-42)50-33-39-14-4-5-15-44(39)46-17-6-7-18-47(46)50)43-26-27-49-48-19-8-10-20-51(48)54(52(49)34-43)40-29-35-28-36(31-40)32-41(54)30-35/h1-27,33-36,40-41H,28-32H2
InChIKeyAKJZILLUFVKISD-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-[2-(9,9-dimethylfluoren-1-yl)phenyl]-N-(4-phenanthren-9-ylphenyl)spiro[adamantane-2,9'-fluorene]-2'-amine
CID 170217331
N-naphthalen-1-yl-N-phenylspiro[adamantane-2,9'-fluorene]-2'-amine
CID 155393699
N-phenanthren-2-yl-N-(4-phenylphenyl)spiro[adamantane-2,9'-fluorene]-2'-amine
CID 155393603
N-(9,9-dimethylfluoren-2-yl)-N-(4-phenanthren-9-ylphenyl)spiro[adamantane-2,9'-fluorene]-3'-amine
CID 156567394
N-phenanthren-9-yl-N-(4-phenylphenyl)spiro[adamantane-2,9'-fluorene]-3'-amine
CID 156573590
N-(2-phenylphenyl)-N-(4-spiro[adamantane-2,9'-fluorene]-2'-ylphenyl)-9,9'-spirobi[fluorene]-2-amine
CID 167413747
9,9-dimethyl-N-(2-phenylphenyl)-N-[4-(4-spiro[adamantane-2,9'-fluorene]-2'-ylphenyl)phenyl]fluoren-2-amine
CID 155399652
N-(4-naphthalen-2-ylphenyl)-N-(4-phenanthren-9-ylphenyl)-4-(4-spiro[adamantane-2,9'-fluorene]-2'-ylphenyl)aniline
CID 155399537
N-(9,9-dimethylfluoren-2-yl)-N-(4-naphthalen-1-ylphenyl)spiro[adamantane-2,9'-fluorene]-2'-amine;N-(9,9-dimethylfluoren-2-yl)-N-phenanthren-9-ylspiro[adamantane-2,9'-fluorene]-2'-amine;N-(9,9-dimethylfluoren-2-yl)-N-(4-phenylnaphthalen-1-yl)spiro[adamantane-2,9'-fluorene]-2'-amine
CID 158875023
N-naphthalen-1-yl-N-(4-phenylnaphthalen-1-yl)spiro[adamantane-2,9'-fluorene]-2'-amine
CID 155399556
N-(4-naphthalen-1-ylphenyl)-N-spiro[adamantane-2,9'-fluorene]-2'-ylspiro[adamantane-2,9'-fluorene]-4'-amine
CID 168722937
N-phenanthren-2-yl-N-phenylspiro[adamantane-2,9'-fluorene]-2'-amine
CID 155399590

Frequently Asked Questions

What is the IUPAC name of N-(4-phenanthren-9-ylphenyl)-N-(2-phenylphenyl)spiro[adamantane-2,9'-fluorene]-2'-amine?
The IUPAC name of N-(4-phenanthren-9-ylphenyl)-N-(2-phenylphenyl)spiro[adamantane-2,9'-fluorene]-2'-amine (CID 155393870) is N-(4-phenanthren-9-ylphenyl)-N-(2-phenylphenyl)spiro[adamantane-2,9'-fluorene]-2'-amine.
What is the SMILES notation for N-(4-phenanthren-9-ylphenyl)-N-(2-phenylphenyl)spiro[adamantane-2,9'-fluorene]-2'-amine?
The canonical SMILES for N-(4-phenanthren-9-ylphenyl)-N-(2-phenylphenyl)spiro[adamantane-2,9'-fluorene]-2'-amine is c1ccc(-c2ccccc2N(c2ccc(-c3cc4ccccc4c4ccccc34)cc2)c2ccc3c(c2)C2(c4ccccc4-3)C3CC4CC(C3)CC2C4)cc1.
What is the InChIKey of N-(4-phenanthren-9-ylphenyl)-N-(2-phenylphenyl)spiro[adamantane-2,9'-fluorene]-2'-amine?
The InChIKey is AKJZILLUFVKISD-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H43N/c1-2-12-37(13-3-1)45-16-9-11-21-53(45)55(42-24-22-38(23-25-42)50-33-39-14-4-5-15-44(39)46-17-6-7-18-47(46)50)43-26-27-49-48-19-8-10-20-51(48)54(52(49)34-43)40-29-35-28-36(31-40)32-41(54)30-35/h1-27,33-36,40-41H,28-32H2.
What are the key properties of N-(4-phenanthren-9-ylphenyl)-N-(2-phenylphenyl)spiro[adamantane-2,9'-fluorene]-2'-amine?
N-(4-phenanthren-9-ylphenyl)-N-(2-phenylphenyl)spiro[adamantane-2,9'-fluorene]-2'-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-(4-phenanthren-9-ylphenyl)-N-(2-phenylphenyl)spiro[adamantane-2,9'-fluorene]-2'-amine is sourced from PubChem (CID 155393870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).