N-naphthalen-2-yl-N-spiro[adamantane-2,9'-fluorene]-2'-ylspiro[adamantane-2,9'-fluorene]-4'-amine

C54H49N — CID 168722460

IUPACN-naphthalen-2-yl-N-spiro[adamantane-2,9'-fluorene]-2'-ylspiro[adamantane-2,9'-fluorene]-4'-amine
SMILESc1ccc2c(c1)-c1ccc(N(c3ccc4ccccc4c3)c3cccc4c3-c3ccccc3C43C4CC5CC(C4)CC3C5)cc1C21C2CC3CC(C2)CC1C3
InChIInChI=1S/C54H49N/c1-2-9-37-30-42(17-16-36(37)8-1)55(43-18-19-45-44-10-3-5-12-47(44)54(50(45)31-43)40-26-34-21-35(28-40)29-41(54)27-34)51-15-7-14-49-52(51)46-11-4-6-13-48(46)53(49)38-22-32-20-33(24-38)25-39(53)23-32/h1-19,30-35,38-41H,20-29H2
InChIKeyJJPJMTXSEIEJKB-UHFFFAOYSA-N
MW711.99 g/mol
LogP13.75
Rot. Bonds3

About N-naphthalen-2-yl-N-spiro[adamantane-2,9'-fluorene]-2'-ylspiro[adamantane-2,9'-fluorene]-4'-amine

N-naphthalen-2-yl-N-spiro[adamantane-2,9'-fluorene]-2'-ylspiro[adamantane-2,9'-fluorene]-4'-amine (PubChem CID 168722460) has the molecular formula C54H49N and a molecular weight of 711.99 g/mol. Its IUPAC name is N-naphthalen-2-yl-N-spiro[adamantane-2,9'-fluorene]-2'-ylspiro[adamantane-2,9'-fluorene]-4'-amine.

Molecular Properties

Compound NameN-naphthalen-2-yl-N-spiro[adamantane-2,9'-fluorene]-2'-ylspiro[adamantane-2,9'-fluorene]-4'-amine
PubChem CID168722460
Molecular FormulaC54H49N
Molecular Weight711.99 g/mol
Exact Mass711.39
IUPAC NameN-naphthalen-2-yl-N-spiro[adamantane-2,9'-fluorene]-2'-ylspiro[adamantane-2,9'-fluorene]-4'-amine
SMILESc1ccc2c(c1)-c1ccc(N(c3ccc4ccccc4c3)c3cccc4c3-c3ccccc3C43C4CC5CC(C4)CC3C5)cc1C21C2CC3CC(C2)CC1C3
InChIInChI=1S/C54H49N/c1-2-9-37-30-42(17-16-36(37)8-1)55(43-18-19-45-44-10-3-5-12-47(44)54(50(45)31-43)40-26-34-21-35(28-40)29-41(54)27-34)51-15-7-14-49-52(51)46-11-4-6-13-48(46)53(49)38-22-32-20-33(24-38)25-39(53)23-32/h1-19,30-35,38-41H,20-29H2
InChIKeyJJPJMTXSEIEJKB-UHFFFAOYSA-N
XLogP13.75
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500711.99
LogP ≤ 513.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N-naphthalen-2-yl-N-phenylspiro[fluorene-9,2'-tricyclo[4.3.1.13,8]undecane]-4-amine
CID 167056455
N-(4-naphthalen-1-ylphenyl)-N-spiro[adamantane-2,9'-fluorene]-2'-ylspiro[adamantane-2,9'-fluorene]-4'-amine
CID 168722937
CID 174099797
CID 174099797
N-naphthalen-1-yl-N-phenylspiro[adamantane-2,9'-fluorene]-2'-amine
CID 155393699
N-(2,4-diphenylphenyl)-N-naphthalen-2-ylspiro[adamantane-2,9'-fluorene]-2'-amine
CID 155393830
6-N-(9,9-dimethylfluoren-2-yl)-1-N,6-N-diphenyl-1-N-spiro[adamantane-2,9'-fluorene]-4'-ylpyrene-1,6-diamine
CID 156533302
1-N,6-N-diphenyl-6-N-spiro[adamantane-2,9'-fluorene]-3'-yl-1-N-spiro[adamantane-2,9'-fluorene]-4'-ylpyrene-1,6-diamine
CID 166050368
N-(3-naphthalen-2-ylphenyl)-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]spiro[adamantane-2,9'-fluorene]-4'-amine
CID 170117281
N-(4-naphthalen-2-ylphenyl)-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]spiro[adamantane-2,9'-fluorene]-4'-amine
CID 170117277
N-(9,9-dimethylfluoren-2-yl)-N-[2-(9,9-dimethylfluoren-4-yl)phenyl]spiro[adamantane-2,9'-fluorene]-2'-amine
CID 170143589
11-N',19-N'-bis(9,9-dimethylfluoren-2-yl)-9',9'-dimethyl-11-N',19-N'-dinaphthalen-2-ylspiro[adamantane-2,14'-hexacyclo[11.11.0.02,10.03,8.015,24.017,22]tetracosa-1,3,5,7,10,12,15(24),16,18,20,22-undecaene]-11',19'-diamine
CID 162698445
N-(9,9-dimethylfluoren-3-yl)-N-naphthalen-2-ylspiro[adamantane-2,9'-fluorene]-3'-amine
CID 156567514

Frequently Asked Questions

What is the IUPAC name of N-naphthalen-2-yl-N-spiro[adamantane-2,9'-fluorene]-2'-ylspiro[adamantane-2,9'-fluorene]-4'-amine?
The IUPAC name of N-naphthalen-2-yl-N-spiro[adamantane-2,9'-fluorene]-2'-ylspiro[adamantane-2,9'-fluorene]-4'-amine (CID 168722460) is N-naphthalen-2-yl-N-spiro[adamantane-2,9'-fluorene]-2'-ylspiro[adamantane-2,9'-fluorene]-4'-amine.
What is the SMILES notation for N-naphthalen-2-yl-N-spiro[adamantane-2,9'-fluorene]-2'-ylspiro[adamantane-2,9'-fluorene]-4'-amine?
The canonical SMILES for N-naphthalen-2-yl-N-spiro[adamantane-2,9'-fluorene]-2'-ylspiro[adamantane-2,9'-fluorene]-4'-amine is c1ccc2c(c1)-c1ccc(N(c3ccc4ccccc4c3)c3cccc4c3-c3ccccc3C43C4CC5CC(C4)CC3C5)cc1C21C2CC3CC(C2)CC1C3.
What is the InChIKey of N-naphthalen-2-yl-N-spiro[adamantane-2,9'-fluorene]-2'-ylspiro[adamantane-2,9'-fluorene]-4'-amine?
The InChIKey is JJPJMTXSEIEJKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H49N/c1-2-9-37-30-42(17-16-36(37)8-1)55(43-18-19-45-44-10-3-5-12-47(44)54(50(45)31-43)40-26-34-21-35(28-40)29-41(54)27-34)51-15-7-14-49-52(51)46-11-4-6-13-48(46)53(49)38-22-32-20-33(24-38)25-39(53)23-32/h1-19,30-35,38-41H,20-29H2.
What are the key properties of N-naphthalen-2-yl-N-spiro[adamantane-2,9'-fluorene]-2'-ylspiro[adamantane-2,9'-fluorene]-4'-amine?
N-naphthalen-2-yl-N-spiro[adamantane-2,9'-fluorene]-2'-ylspiro[adamantane-2,9'-fluorene]-4'-amine has a molecular weight of 711.99 g/mol, XLogP of 13.75, 3 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-spiro[adamantane-2,9'-fluorene]-2'-ylspiro[adamantane-2,9'-fluorene]-4'-amine is sourced from PubChem (CID 168722460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).