N-[2-(2-phenylphenyl)phenyl]spiro[adamantane-2,9'-fluorene]-2'-amine

C40H35N — CID 155409043

IUPACN-[2-(2-phenylphenyl)phenyl]spiro[adamantane-2,9'-fluorene]-2'-amine
SMILESc1ccc(-c2ccccc2-c2ccccc2Nc2ccc3c(c2)C2(c4ccccc4-3)C3CC4CC(C3)CC2C4)cc1
InChIInChI=1S/C40H35N/c1-2-10-28(11-3-1)32-12-4-5-13-33(32)36-15-7-9-17-39(36)41-31-18-19-35-34-14-6-8-16-37(34)40(38(35)25-31)29-21-26-20-27(23-29)24-30(40)22-26/h1-19,25-27,29-30,41H,20-24H2
InChIKeyMAFXMAWNFAAYBN-UHFFFAOYSA-N
MW529.73 g/mol
LogP10.49
Rot. Bonds4

About N-[2-(2-phenylphenyl)phenyl]spiro[adamantane-2,9'-fluorene]-2'-amine

N-[2-(2-phenylphenyl)phenyl]spiro[adamantane-2,9'-fluorene]-2'-amine (PubChem CID 155409043) has the molecular formula C40H35N and a molecular weight of 529.73 g/mol. Its IUPAC name is N-[2-(2-phenylphenyl)phenyl]spiro[adamantane-2,9'-fluorene]-2'-amine.

Molecular Properties

Compound NameN-[2-(2-phenylphenyl)phenyl]spiro[adamantane-2,9'-fluorene]-2'-amine
PubChem CID155409043
Molecular FormulaC40H35N
Molecular Weight529.73 g/mol
Exact Mass529.28
IUPAC NameN-[2-(2-phenylphenyl)phenyl]spiro[adamantane-2,9'-fluorene]-2'-amine
SMILESc1ccc(-c2ccccc2-c2ccccc2Nc2ccc3c(c2)C2(c4ccccc4-3)C3CC4CC(C3)CC2C4)cc1
InChIInChI=1S/C40H35N/c1-2-10-28(11-3-1)32-12-4-5-13-33(32)36-15-7-9-17-39(36)41-31-18-19-35-34-14-6-8-16-37(34)40(38(35)25-31)29-21-26-20-27(23-29)24-30(40)22-26/h1-19,25-27,29-30,41H,20-24H2
InChIKeyMAFXMAWNFAAYBN-UHFFFAOYSA-N
XLogP10.49
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500529.73
LogP ≤ 510.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[2-(4-phenylphenyl)phenyl]spiro[adamantane-2,9'-fluorene]-3'-amine
CID 155407255
N-[2-(2-phenylphenyl)phenyl]spiro[adamantane-2,9'-fluorene]-4'-amine
CID 155407242
N-[3-(3-phenylphenyl)phenyl]-2-(4-spiro[adamantane-2,9'-fluorene]-3'-ylphenyl)aniline
CID 167413755
N-[4-(2-phenylphenyl)phenyl]spiro[adamantane-2,9'-fluorene]-4'-amine
CID 155407260
N-[4-(2-phenylphenyl)phenyl]spiro[fluorene-9,2'-tricyclo[3.3.1.03,7]nonane]-1-amine
CID 155407627
2,4-diphenyl-6-[2-(2-phenylphenyl)-5-spiro[adamantane-2,9'-fluorene]-2'-ylphenyl]-1,3,5-triazine
CID 164811663
2'-chloro-4'-phenylspiro[adamantane-2,9'-fluorene]
CID 168798512
N-[2-[4-(1-adamantyl)phenyl]phenyl]-9,9-dimethylfluoren-2-amine
CID 156556685
N-phenyl-N-(4-phenylphenyl)spiro[adamantane-2,9'-fluorene]-2'-amine
CID 155393636
N-spiro[adamantane-2,9'-fluorene]-4'-ylspiro[adamantane-2,9'-fluorene]-4'-amine
CID 166050353
10-phenyl-N-[2-(2-phenylphenyl)phenyl]spiro[acridine-9,9'-fluorene]-2'-amine
CID 155296991
2'-chloro-7'-phenylspiro[adamantane-2,9'-fluorene]
CID 169099363

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-phenylphenyl)phenyl]spiro[adamantane-2,9'-fluorene]-2'-amine?
The IUPAC name of N-[2-(2-phenylphenyl)phenyl]spiro[adamantane-2,9'-fluorene]-2'-amine (CID 155409043) is N-[2-(2-phenylphenyl)phenyl]spiro[adamantane-2,9'-fluorene]-2'-amine.
What is the SMILES notation for N-[2-(2-phenylphenyl)phenyl]spiro[adamantane-2,9'-fluorene]-2'-amine?
The canonical SMILES for N-[2-(2-phenylphenyl)phenyl]spiro[adamantane-2,9'-fluorene]-2'-amine is c1ccc(-c2ccccc2-c2ccccc2Nc2ccc3c(c2)C2(c4ccccc4-3)C3CC4CC(C3)CC2C4)cc1.
What is the InChIKey of N-[2-(2-phenylphenyl)phenyl]spiro[adamantane-2,9'-fluorene]-2'-amine?
The InChIKey is MAFXMAWNFAAYBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H35N/c1-2-10-28(11-3-1)32-12-4-5-13-33(32)36-15-7-9-17-39(36)41-31-18-19-35-34-14-6-8-16-37(34)40(38(35)25-31)29-21-26-20-27(23-29)24-30(40)22-26/h1-19,25-27,29-30,41H,20-24H2.
What are the key properties of N-[2-(2-phenylphenyl)phenyl]spiro[adamantane-2,9'-fluorene]-2'-amine?
N-[2-(2-phenylphenyl)phenyl]spiro[adamantane-2,9'-fluorene]-2'-amine has a molecular weight of 529.73 g/mol, XLogP of 10.49, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-phenylphenyl)phenyl]spiro[adamantane-2,9'-fluorene]-2'-amine is sourced from PubChem (CID 155409043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).