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

C48H39N — CID 156567511

IUPACN-naphthalen-2-yl-N-(3-naphthalen-2-ylphenyl)spiro[adamantane-2,9'-fluorene]-3'-amine
SMILESc1cc(-c2ccc3ccccc3c2)cc(N(c2ccc3c(c2)-c2ccccc2C32C3CC4CC(C3)CC2C4)c2ccc3ccccc3c2)c1
InChIInChI=1S/C48H39N/c1-3-10-35-27-38(17-16-33(35)8-1)37-12-7-13-41(29-37)49(42-19-18-34-9-2-4-11-36(34)28-42)43-20-21-47-45(30-43)44-14-5-6-15-46(44)48(47)39-23-31-22-32(25-39)26-40(48)24-31/h1-21,27-32,39-40H,22-26H2
InChIKeyYKXAOAPOBHOLHM-UHFFFAOYSA-N
MW629.85 g/mol
LogP12.85
Rot. Bonds4

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

N-naphthalen-2-yl-N-(3-naphthalen-2-ylphenyl)spiro[adamantane-2,9'-fluorene]-3'-amine (PubChem CID 156567511) has the molecular formula C48H39N and a molecular weight of 629.85 g/mol. Its IUPAC name is N-naphthalen-2-yl-N-(3-naphthalen-2-ylphenyl)spiro[adamantane-2,9'-fluorene]-3'-amine.

Molecular Properties

Compound NameN-naphthalen-2-yl-N-(3-naphthalen-2-ylphenyl)spiro[adamantane-2,9'-fluorene]-3'-amine
PubChem CID156567511
Molecular FormulaC48H39N
Molecular Weight629.85 g/mol
Exact Mass629.31
IUPAC NameN-naphthalen-2-yl-N-(3-naphthalen-2-ylphenyl)spiro[adamantane-2,9'-fluorene]-3'-amine
SMILESc1cc(-c2ccc3ccccc3c2)cc(N(c2ccc3c(c2)-c2ccccc2C32C3CC4CC(C3)CC2C4)c2ccc3ccccc3c2)c1
InChIInChI=1S/C48H39N/c1-3-10-35-27-38(17-16-33(35)8-1)37-12-7-13-41(29-37)49(42-19-18-34-9-2-4-11-36(34)28-42)43-20-21-47-45(30-43)44-14-5-6-15-46(44)48(47)39-23-31-22-32(25-39)26-40(48)24-31/h1-21,27-32,39-40H,22-26H2
InChIKeyYKXAOAPOBHOLHM-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-2-yl-N-(4-phenanthren-2-ylphenyl)spiro[adamantane-2,9'-fluorene]-3'-amine
CID 156567778
N-(4-naphthalen-2-ylphenyl)-N-spiro[cyclopentane-1,9'-fluorene]-3'-ylspiro[adamantane-2,9'-fluorene]-3'-amine
CID 168722677
N-(9,9-dimethylfluoren-3-yl)-N-naphthalen-2-ylspiro[adamantane-2,9'-fluorene]-3'-amine
CID 156567514
N-phenyl-N-(4-phenylphenyl)spiro[adamantane-2,9'-fluorene]-3'-amine
CID 156567704
N-(4-dibenzothiophen-2-ylphenyl)-N-naphthalen-2-ylspiro[adamantane-2,9'-fluorene]-3'-amine;N-(4-dibenzothiophen-3-ylphenyl)-N-naphthalen-2-ylspiro[adamantane-2,9'-fluorene]-3'-amine;methane;N-naphthalen-2-yl-N-(3-naphthalen-2-ylphenyl)spiro[adamantane-2,9'-fluorene]-3'-amine
CID 163650615
N-phenanthren-2-yl-N-[4-(4-phenylphenyl)phenyl]spiro[adamantane-2,9'-fluorene]-3'-amine
CID 156567832
N-(4-dibenzofuran-3-ylphenyl)-N-naphthalen-2-ylspiro[adamantane-2,9'-fluorene]-3'-amine
CID 156573683
N-(9,9-dimethylfluoren-2-yl)-6'-phenyl-N-(3-phenylphenyl)spiro[adamantane-2,9'-fluorene]-3'-amine
CID 170085916
N-(3-carbazol-9-ylphenyl)-N-(4-spiro[adamantane-2,9'-fluorene]-3'-ylphenyl)naphthalen-2-amine
CID 156568213
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-[4-(4-naphthalen-2-ylphenyl)phenyl]-N-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)spiro[adamantane-2,9'-fluorene]-2'-amine
CID 176594795
N-(3-naphthalen-2-ylphenyl)-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]spiro[adamantane-2,9'-fluorene]-4'-amine
CID 170117281

Frequently Asked Questions

What is the IUPAC name of N-naphthalen-2-yl-N-(3-naphthalen-2-ylphenyl)spiro[adamantane-2,9'-fluorene]-3'-amine?
The IUPAC name of N-naphthalen-2-yl-N-(3-naphthalen-2-ylphenyl)spiro[adamantane-2,9'-fluorene]-3'-amine (CID 156567511) is N-naphthalen-2-yl-N-(3-naphthalen-2-ylphenyl)spiro[adamantane-2,9'-fluorene]-3'-amine.
What is the SMILES notation for N-naphthalen-2-yl-N-(3-naphthalen-2-ylphenyl)spiro[adamantane-2,9'-fluorene]-3'-amine?
The canonical SMILES for N-naphthalen-2-yl-N-(3-naphthalen-2-ylphenyl)spiro[adamantane-2,9'-fluorene]-3'-amine is c1cc(-c2ccc3ccccc3c2)cc(N(c2ccc3c(c2)-c2ccccc2C32C3CC4CC(C3)CC2C4)c2ccc3ccccc3c2)c1.
What is the InChIKey of N-naphthalen-2-yl-N-(3-naphthalen-2-ylphenyl)spiro[adamantane-2,9'-fluorene]-3'-amine?
The InChIKey is YKXAOAPOBHOLHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H39N/c1-3-10-35-27-38(17-16-33(35)8-1)37-12-7-13-41(29-37)49(42-19-18-34-9-2-4-11-36(34)28-42)43-20-21-47-45(30-43)44-14-5-6-15-46(44)48(47)39-23-31-22-32(25-39)26-40(48)24-31/h1-21,27-32,39-40H,22-26H2.
What are the key properties of N-naphthalen-2-yl-N-(3-naphthalen-2-ylphenyl)spiro[adamantane-2,9'-fluorene]-3'-amine?
N-naphthalen-2-yl-N-(3-naphthalen-2-ylphenyl)spiro[adamantane-2,9'-fluorene]-3'-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-2-yl-N-(3-naphthalen-2-ylphenyl)spiro[adamantane-2,9'-fluorene]-3'-amine is sourced from PubChem (CID 156567511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).