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

C44H43N — CID 166050353

IUPACN-spiro[adamantane-2,9'-fluorene]-4'-ylspiro[adamantane-2,9'-fluorene]-4'-amine
SMILESc1ccc2c(c1)-c1c(Nc3cccc4c3-c3ccccc3C43C4CC5CC(C4)CC3C5)cccc1C21C2CC3CC(C2)CC1C3
InChIInChI=1S/C44H43N/c1-3-9-35-33(7-1)41-37(43(35)29-17-25-15-26(19-29)20-30(43)18-25)11-5-13-39(41)45-40-14-6-12-38-42(40)34-8-2-4-10-36(34)44(38)31-21-27-16-28(23-31)24-32(44)22-27/h1-14,25-32,45H,15-24H2
InChIKeyLPVLWZMPNNWJGU-UHFFFAOYSA-N
MW585.84 g/mol
LogP10.88
Rot. Bonds2

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

N-spiro[adamantane-2,9'-fluorene]-4'-ylspiro[adamantane-2,9'-fluorene]-4'-amine (PubChem CID 166050353) has the molecular formula C44H43N and a molecular weight of 585.84 g/mol. Its IUPAC name is N-spiro[adamantane-2,9'-fluorene]-4'-ylspiro[adamantane-2,9'-fluorene]-4'-amine.

Molecular Properties

Compound NameN-spiro[adamantane-2,9'-fluorene]-4'-ylspiro[adamantane-2,9'-fluorene]-4'-amine
PubChem CID166050353
Molecular FormulaC44H43N
Molecular Weight585.84 g/mol
Exact Mass585.34
IUPAC NameN-spiro[adamantane-2,9'-fluorene]-4'-ylspiro[adamantane-2,9'-fluorene]-4'-amine
SMILESc1ccc2c(c1)-c1c(Nc3cccc4c3-c3ccccc3C43C4CC5CC(C4)CC3C5)cccc1C21C2CC3CC(C2)CC1C3
InChIInChI=1S/C44H43N/c1-3-9-35-33(7-1)41-37(43(35)29-17-25-15-26(19-29)20-30(43)18-25)11-5-13-39(41)45-40-14-6-12-38-42(40)34-8-2-4-10-36(34)44(38)31-21-27-16-28(23-31)24-32(44)22-27/h1-14,25-32,45H,15-24H2
InChIKeyLPVLWZMPNNWJGU-UHFFFAOYSA-N
XLogP10.88
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500585.84
LogP ≤ 510.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[2-(2-phenylphenyl)phenyl]spiro[adamantane-2,9'-fluorene]-4'-amine
CID 155407242
N-[4-(2-phenylphenyl)phenyl]spiro[adamantane-2,9'-fluorene]-4'-amine
CID 155407260
N-(4-tert-butylphenyl)spiro[adamantane-2,9'-fluorene]-4'-amine
CID 166807941
4-[2-(9H-fluoren-4-yl)-2-adamantyl]-9H-fluorene
CID 163498832
4-spiro[adamantane-2,9'-fluorene]-4'-yl-1H-indole
CID 164940878
N-(3-chloronaphthalen-2-yl)spiro[fluorene-9,4'-tetracyclo[5.3.1.03,9.05,9]undecane]-4-amine
CID 167166806
N-[2-(2-phenylphenyl)phenyl]spiro[adamantane-2,9'-fluorene]-2'-amine
CID 155409043
N-[2-(4-phenylphenyl)phenyl]spiro[adamantane-2,9'-fluorene]-3'-amine
CID 155407255
2'-chloro-4'-phenylspiro[adamantane-2,9'-fluorene]
CID 168798512
2-[4-[5'-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]spiro[adamantane-2,9'-fluorene]-4'-yl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 164819010
N-[3-(3-phenylphenyl)phenyl]-2-(4-spiro[adamantane-2,9'-fluorene]-3'-ylphenyl)aniline
CID 167413755
2,4-bis(4-phenylphenyl)-6-(3-phenyl-5-spiro[adamantane-2,9'-fluorene]-4'-ylphenyl)-1,3,5-triazine
CID 156561456

Frequently Asked Questions

What is the IUPAC name of N-spiro[adamantane-2,9'-fluorene]-4'-ylspiro[adamantane-2,9'-fluorene]-4'-amine?
The IUPAC name of N-spiro[adamantane-2,9'-fluorene]-4'-ylspiro[adamantane-2,9'-fluorene]-4'-amine (CID 166050353) is N-spiro[adamantane-2,9'-fluorene]-4'-ylspiro[adamantane-2,9'-fluorene]-4'-amine.
What is the SMILES notation for N-spiro[adamantane-2,9'-fluorene]-4'-ylspiro[adamantane-2,9'-fluorene]-4'-amine?
The canonical SMILES for N-spiro[adamantane-2,9'-fluorene]-4'-ylspiro[adamantane-2,9'-fluorene]-4'-amine is c1ccc2c(c1)-c1c(Nc3cccc4c3-c3ccccc3C43C4CC5CC(C4)CC3C5)cccc1C21C2CC3CC(C2)CC1C3.
What is the InChIKey of N-spiro[adamantane-2,9'-fluorene]-4'-ylspiro[adamantane-2,9'-fluorene]-4'-amine?
The InChIKey is LPVLWZMPNNWJGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H43N/c1-3-9-35-33(7-1)41-37(43(35)29-17-25-15-26(19-29)20-30(43)18-25)11-5-13-39(41)45-40-14-6-12-38-42(40)34-8-2-4-10-36(34)44(38)31-21-27-16-28(23-31)24-32(44)22-27/h1-14,25-32,45H,15-24H2.
What are the key properties of N-spiro[adamantane-2,9'-fluorene]-4'-ylspiro[adamantane-2,9'-fluorene]-4'-amine?
N-spiro[adamantane-2,9'-fluorene]-4'-ylspiro[adamantane-2,9'-fluorene]-4'-amine has a molecular weight of 585.84 g/mol, XLogP of 10.88, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-spiro[adamantane-2,9'-fluorene]-4'-ylspiro[adamantane-2,9'-fluorene]-4'-amine is sourced from PubChem (CID 166050353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).