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

C52H41N — CID 156567366

IUPACN-naphthalen-2-yl-N-(4-spiro[adamantane-2,9'-fluorene]-3'-ylphenyl)phenanthren-9-amine
SMILESc1ccc2c(c1)-c1cc(-c3ccc(N(c4ccc5ccccc5c4)c4cc5ccccc5c5ccccc45)cc3)ccc1C21C2CC3CC(C2)CC1C3
InChIInChI=1S/C52H41N/c1-2-10-37-30-43(23-19-35(37)9-1)53(51-32-39-11-3-4-12-44(39)45-13-5-6-15-47(45)51)42-21-17-36(18-22-42)38-20-24-50-48(31-38)46-14-7-8-16-49(46)52(50)40-26-33-25-34(28-40)29-41(52)27-33/h1-24,30-34,40-41H,25-29H2
InChIKeyLLKPTWXKELDQQA-UHFFFAOYSA-N
MW679.91 g/mol
LogP14.01
Rot. Bonds4

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

N-naphthalen-2-yl-N-(4-spiro[adamantane-2,9'-fluorene]-3'-ylphenyl)phenanthren-9-amine (PubChem CID 156567366) has the molecular formula C52H41N and a molecular weight of 679.91 g/mol. Its IUPAC name is N-naphthalen-2-yl-N-(4-spiro[adamantane-2,9'-fluorene]-3'-ylphenyl)phenanthren-9-amine.

Molecular Properties

Compound NameN-naphthalen-2-yl-N-(4-spiro[adamantane-2,9'-fluorene]-3'-ylphenyl)phenanthren-9-amine
PubChem CID156567366
Molecular FormulaC52H41N
Molecular Weight679.91 g/mol
Exact Mass679.32
IUPAC NameN-naphthalen-2-yl-N-(4-spiro[adamantane-2,9'-fluorene]-3'-ylphenyl)phenanthren-9-amine
SMILESc1ccc2c(c1)-c1cc(-c3ccc(N(c4ccc5ccccc5c4)c4cc5ccccc5c5ccccc45)cc3)ccc1C21C2CC3CC(C2)CC1C3
InChIInChI=1S/C52H41N/c1-2-10-37-30-43(23-19-35(37)9-1)53(51-32-39-11-3-4-12-44(39)45-13-5-6-15-47(45)51)42-21-17-36(18-22-42)38-20-24-50-48(31-38)46-14-7-8-16-49(46)52(50)40-26-33-25-34(28-40)29-41(52)27-33/h1-24,30-34,40-41H,25-29H2
InChIKeyLLKPTWXKELDQQA-UHFFFAOYSA-N
XLogP14.01
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500679.91
LogP ≤ 514.01
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-phenanthren-9-yl-N-(4-phenylphenyl)spiro[adamantane-2,9'-fluorene]-3'-amine
CID 156573590
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-naphthalen-2-yl-N-(4-phenanthren-2-ylphenyl)spiro[adamantane-2,9'-fluorene]-3'-amine
CID 156567778
N-(9,9-dimethyl-6-spiro[adamantane-2,9'-fluorene]-3'-ylfluoren-3-yl)-N-(4-naphthalen-1-ylphenyl)phenanthren-9-amine
CID 156573632
N-phenanthren-2-yl-N-[4-(4-phenylphenyl)phenyl]spiro[adamantane-2,9'-fluorene]-3'-amine
CID 156567832
N-(4-naphthalen-2-ylphenyl)-N-(4-phenanthren-9-ylphenyl)-4-(4-spiro[adamantane-2,9'-fluorene]-2'-ylphenyl)aniline
CID 155399537
N-(2,4-diphenylphenyl)-N-naphthalen-2-ylspiro[adamantane-2,9'-fluorene]-2'-amine
CID 155393830
N-(4-dibenzofuran-3-ylphenyl)-N-naphthalen-2-ylspiro[adamantane-2,9'-fluorene]-3'-amine
CID 156573683
N-(3-carbazol-9-ylphenyl)-N-(4-spiro[adamantane-2,9'-fluorene]-3'-ylphenyl)naphthalen-2-amine
CID 156568213
N-phenanthren-2-yl-N-(4-phenylphenyl)spiro[adamantane-2,9'-fluorene]-2'-amine
CID 155393603
N-naphthalen-2-yl-N-(3-naphthalen-2-ylphenyl)spiro[adamantane-2,9'-fluorene]-3'-amine
CID 156567511
N-(4-naphthalen-2-ylphenyl)-N-spiro[cyclopentane-1,9'-fluorene]-3'-ylspiro[adamantane-2,9'-fluorene]-3'-amine
CID 168722677

Frequently Asked Questions

What is the IUPAC name of N-naphthalen-2-yl-N-(4-spiro[adamantane-2,9'-fluorene]-3'-ylphenyl)phenanthren-9-amine?
The IUPAC name of N-naphthalen-2-yl-N-(4-spiro[adamantane-2,9'-fluorene]-3'-ylphenyl)phenanthren-9-amine (CID 156567366) is N-naphthalen-2-yl-N-(4-spiro[adamantane-2,9'-fluorene]-3'-ylphenyl)phenanthren-9-amine.
What is the SMILES notation for N-naphthalen-2-yl-N-(4-spiro[adamantane-2,9'-fluorene]-3'-ylphenyl)phenanthren-9-amine?
The canonical SMILES for N-naphthalen-2-yl-N-(4-spiro[adamantane-2,9'-fluorene]-3'-ylphenyl)phenanthren-9-amine is c1ccc2c(c1)-c1cc(-c3ccc(N(c4ccc5ccccc5c4)c4cc5ccccc5c5ccccc45)cc3)ccc1C21C2CC3CC(C2)CC1C3.
What is the InChIKey of N-naphthalen-2-yl-N-(4-spiro[adamantane-2,9'-fluorene]-3'-ylphenyl)phenanthren-9-amine?
The InChIKey is LLKPTWXKELDQQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H41N/c1-2-10-37-30-43(23-19-35(37)9-1)53(51-32-39-11-3-4-12-44(39)45-13-5-6-15-47(45)51)42-21-17-36(18-22-42)38-20-24-50-48(31-38)46-14-7-8-16-49(46)52(50)40-26-33-25-34(28-40)29-41(52)27-33/h1-24,30-34,40-41H,25-29H2.
What are the key properties of N-naphthalen-2-yl-N-(4-spiro[adamantane-2,9'-fluorene]-3'-ylphenyl)phenanthren-9-amine?
N-naphthalen-2-yl-N-(4-spiro[adamantane-2,9'-fluorene]-3'-ylphenyl)phenanthren-9-amine has a molecular weight of 679.91 g/mol, XLogP of 14.01, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-naphthalen-2-yl-N-(4-spiro[adamantane-2,9'-fluorene]-3'-ylphenyl)phenanthren-9-amine is sourced from PubChem (CID 156567366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).