N-naphthalen-1-yl-N-(4-phenylnaphthalen-1-yl)spiro[adamantane-2,9'-fluorene]-2'-amine

C48H39N — CID 155399556

IUPACN-naphthalen-1-yl-N-(4-phenylnaphthalen-1-yl)spiro[adamantane-2,9'-fluorene]-2'-amine
SMILESc1ccc(-c2ccc(N(c3ccc4c(c3)C3(c5ccccc5-4)C4CC5CC(C4)CC3C5)c3cccc4ccccc34)c3ccccc23)cc1
InChIInChI=1S/C48H39N/c1-2-11-33(12-3-1)38-23-24-47(43-18-7-6-16-40(38)43)49(46-20-10-14-34-13-4-5-15-39(34)46)37-21-22-42-41-17-8-9-19-44(41)48(45(42)30-37)35-26-31-25-32(28-35)29-36(48)27-31/h1-24,30-32,35-36H,25-29H2
InChIKeyBDSHQTGNIBVQAW-UHFFFAOYSA-N
MW629.85 g/mol
LogP12.85
Rot. Bonds4

About N-naphthalen-1-yl-N-(4-phenylnaphthalen-1-yl)spiro[adamantane-2,9'-fluorene]-2'-amine

N-naphthalen-1-yl-N-(4-phenylnaphthalen-1-yl)spiro[adamantane-2,9'-fluorene]-2'-amine (PubChem CID 155399556) has the molecular formula C48H39N and a molecular weight of 629.85 g/mol. Its IUPAC name is N-naphthalen-1-yl-N-(4-phenylnaphthalen-1-yl)spiro[adamantane-2,9'-fluorene]-2'-amine.

Molecular Properties

Compound NameN-naphthalen-1-yl-N-(4-phenylnaphthalen-1-yl)spiro[adamantane-2,9'-fluorene]-2'-amine
PubChem CID155399556
Molecular FormulaC48H39N
Molecular Weight629.85 g/mol
Exact Mass629.31
IUPAC NameN-naphthalen-1-yl-N-(4-phenylnaphthalen-1-yl)spiro[adamantane-2,9'-fluorene]-2'-amine
SMILESc1ccc(-c2ccc(N(c3ccc4c(c3)C3(c5ccccc5-4)C4CC5CC(C4)CC3C5)c3cccc4ccccc34)c3ccccc23)cc1
InChIInChI=1S/C48H39N/c1-2-11-33(12-3-1)38-23-24-47(43-18-7-6-16-40(38)43)49(46-20-10-14-34-13-4-5-15-39(34)46)37-21-22-42-41-17-8-9-19-44(41)48(45(42)30-37)35-26-31-25-32(28-35)29-36(48)27-31/h1-24,30-32,35-36H,25-29H2
InChIKeyBDSHQTGNIBVQAW-UHFFFAOYSA-N
XLogP12.85
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500629.85
LogP ≤ 512.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N-naphthalen-1-yl-N-phenylspiro[adamantane-2,9'-fluorene]-2'-amine
CID 155393699
N-(4-naphthalen-1-ylphenyl)-N-spiro[adamantane-2,9'-fluorene]-2'-ylspiro[adamantane-2,9'-fluorene]-4'-amine
CID 168722937
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-(4-phenylnaphthalen-1-yl)-N-[4-(4-phenylphenyl)phenyl]spiro[adamantane-2,9'-fluorene]-2'-amine;N-(2-phenylphenyl)-N-(4-spiro[adamantane-2,9'-fluorene]-2'-ylphenyl)dibenzofuran-2-amine;N-(2-phenylphenyl)-N-(4-spiro[adamantane-2,9'-fluorene]-2'-ylphenyl)dibenzofuran-3-amine;N-(2-phenylphenyl)-N-(4-spiro[adamantane-2,9'-fluorene]-2'-ylphenyl)naphthalen-1-amine
CID 161481713
N-(4-phenanthren-9-ylphenyl)-N-(2-phenylphenyl)spiro[adamantane-2,9'-fluorene]-2'-amine
CID 155393870
N-(2,4-diphenylphenyl)-N-(4-phenylnaphthalen-1-yl)spiro[adamantane-2,9'-fluorene]-3'-amine
CID 156567475
N-phenanthren-2-yl-N-(4-phenylphenyl)spiro[adamantane-2,9'-fluorene]-2'-amine
CID 155393603
1-N,6-N-diphenyl-1-N-(4-phenylnaphthalen-1-yl)-6-N-spiro[adamantane-2,9'-fluorene]-1'-ylpyrene-1,6-diamine
CID 166050352
N-(4-phenylnaphthalen-1-yl)-N-spiro[bicyclo[2.2.1]heptane-2,9'-fluorene]-2'-ylspiro[adamantane-2,9'-fluorene]-3'-amine
CID 168722773
N-phenanthren-2-yl-N-phenylspiro[adamantane-2,9'-fluorene]-2'-amine
CID 155399590
N-(2,4-diphenylphenyl)-N-naphthalen-2-ylspiro[adamantane-2,9'-fluorene]-2'-amine
CID 155393830
N-(9,9-dimethylfluoren-2-yl)-6'-phenyl-N-(4-phenylnaphthalen-1-yl)spiro[adamantane-2,9'-fluorene]-3'-amine
CID 171736050

Frequently Asked Questions

What is the IUPAC name of N-naphthalen-1-yl-N-(4-phenylnaphthalen-1-yl)spiro[adamantane-2,9'-fluorene]-2'-amine?
The IUPAC name of N-naphthalen-1-yl-N-(4-phenylnaphthalen-1-yl)spiro[adamantane-2,9'-fluorene]-2'-amine (CID 155399556) is N-naphthalen-1-yl-N-(4-phenylnaphthalen-1-yl)spiro[adamantane-2,9'-fluorene]-2'-amine.
What is the SMILES notation for N-naphthalen-1-yl-N-(4-phenylnaphthalen-1-yl)spiro[adamantane-2,9'-fluorene]-2'-amine?
The canonical SMILES for N-naphthalen-1-yl-N-(4-phenylnaphthalen-1-yl)spiro[adamantane-2,9'-fluorene]-2'-amine is c1ccc(-c2ccc(N(c3ccc4c(c3)C3(c5ccccc5-4)C4CC5CC(C4)CC3C5)c3cccc4ccccc34)c3ccccc23)cc1.
What is the InChIKey of N-naphthalen-1-yl-N-(4-phenylnaphthalen-1-yl)spiro[adamantane-2,9'-fluorene]-2'-amine?
The InChIKey is BDSHQTGNIBVQAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H39N/c1-2-11-33(12-3-1)38-23-24-47(43-18-7-6-16-40(38)43)49(46-20-10-14-34-13-4-5-15-39(34)46)37-21-22-42-41-17-8-9-19-44(41)48(45(42)30-37)35-26-31-25-32(28-35)29-36(48)27-31/h1-24,30-32,35-36H,25-29H2.
What are the key properties of N-naphthalen-1-yl-N-(4-phenylnaphthalen-1-yl)spiro[adamantane-2,9'-fluorene]-2'-amine?
N-naphthalen-1-yl-N-(4-phenylnaphthalen-1-yl)spiro[adamantane-2,9'-fluorene]-2'-amine has a molecular weight of 629.85 g/mol, XLogP of 12.85, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-naphthalen-1-yl-N-(4-phenylnaphthalen-1-yl)spiro[adamantane-2,9'-fluorene]-2'-amine is sourced from PubChem (CID 155399556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).