N-[4-(2-phenylphenyl)phenyl]spiro[adamantane-2,9'-fluorene]-4'-amine

C40H35N — CID 155407260

IUPACN-[4-(2-phenylphenyl)phenyl]spiro[adamantane-2,9'-fluorene]-4'-amine
SMILESc1ccc(-c2ccccc2-c2ccc(Nc3cccc4c3-c3ccccc3C43C4CC5CC(C4)CC3C5)cc2)cc1
InChIInChI=1S/C40H35N/c1-2-9-28(10-3-1)33-11-4-5-12-34(33)29-17-19-32(20-18-29)41-38-16-8-15-37-39(38)35-13-6-7-14-36(35)40(37)30-22-26-21-27(24-30)25-31(40)23-26/h1-20,26-27,30-31,41H,21-25H2
InChIKeyAITOIXXZBQGKLX-UHFFFAOYSA-N
MW529.73 g/mol
LogP10.49
Rot. Bonds4

About N-[4-(2-phenylphenyl)phenyl]spiro[adamantane-2,9'-fluorene]-4'-amine

N-[4-(2-phenylphenyl)phenyl]spiro[adamantane-2,9'-fluorene]-4'-amine (PubChem CID 155407260) has the molecular formula C40H35N and a molecular weight of 529.73 g/mol. Its IUPAC name is N-[4-(2-phenylphenyl)phenyl]spiro[adamantane-2,9'-fluorene]-4'-amine.

Molecular Properties

Compound NameN-[4-(2-phenylphenyl)phenyl]spiro[adamantane-2,9'-fluorene]-4'-amine
PubChem CID155407260
Molecular FormulaC40H35N
Molecular Weight529.73 g/mol
Exact Mass529.28
IUPAC NameN-[4-(2-phenylphenyl)phenyl]spiro[adamantane-2,9'-fluorene]-4'-amine
SMILESc1ccc(-c2ccccc2-c2ccc(Nc3cccc4c3-c3ccccc3C43C4CC5CC(C4)CC3C5)cc2)cc1
InChIInChI=1S/C40H35N/c1-2-9-28(10-3-1)33-11-4-5-12-34(33)29-17-19-32(20-18-29)41-38-16-8-15-37-39(38)35-13-6-7-14-36(35)40(37)30-22-26-21-27(24-30)25-31(40)23-26/h1-20,26-27,30-31,41H,21-25H2
InChIKeyAITOIXXZBQGKLX-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-(2-phenylphenyl)phenyl]spiro[adamantane-2,9'-fluorene]-4'-amine
CID 155407242
N-spiro[adamantane-2,9'-fluorene]-4'-ylspiro[adamantane-2,9'-fluorene]-4'-amine
CID 166050353
N-(4-tert-butylphenyl)spiro[adamantane-2,9'-fluorene]-4'-amine
CID 166807941
N-[4-(2-phenylphenyl)phenyl]spiro[fluorene-9,2'-tricyclo[3.3.1.03,7]nonane]-1-amine
CID 155407627
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
N-[3-(3-phenylphenyl)phenyl]-2-(4-spiro[adamantane-2,9'-fluorene]-3'-ylphenyl)aniline
CID 167413755
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-[4-(3-deuteriophenyl)phenyl]-4-phenyl-N-[4-(4-spiro[adamantane-2,9'-fluorene]-4'-ylphenyl)phenyl]aniline
CID 157230835
5'-chloro-2'-phenylspiro[adamantane-2,9'-fluorene]
CID 169099361
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-[4-(2-phenylphenyl)phenyl]spiro[adamantane-2,9'-fluorene]-4'-amine?
The IUPAC name of N-[4-(2-phenylphenyl)phenyl]spiro[adamantane-2,9'-fluorene]-4'-amine (CID 155407260) is N-[4-(2-phenylphenyl)phenyl]spiro[adamantane-2,9'-fluorene]-4'-amine.
What is the SMILES notation for N-[4-(2-phenylphenyl)phenyl]spiro[adamantane-2,9'-fluorene]-4'-amine?
The canonical SMILES for N-[4-(2-phenylphenyl)phenyl]spiro[adamantane-2,9'-fluorene]-4'-amine is c1ccc(-c2ccccc2-c2ccc(Nc3cccc4c3-c3ccccc3C43C4CC5CC(C4)CC3C5)cc2)cc1.
What is the InChIKey of N-[4-(2-phenylphenyl)phenyl]spiro[adamantane-2,9'-fluorene]-4'-amine?
The InChIKey is AITOIXXZBQGKLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H35N/c1-2-9-28(10-3-1)33-11-4-5-12-34(33)29-17-19-32(20-18-29)41-38-16-8-15-37-39(38)35-13-6-7-14-36(35)40(37)30-22-26-21-27(24-30)25-31(40)23-26/h1-20,26-27,30-31,41H,21-25H2.
What are the key properties of N-[4-(2-phenylphenyl)phenyl]spiro[adamantane-2,9'-fluorene]-4'-amine?
N-[4-(2-phenylphenyl)phenyl]spiro[adamantane-2,9'-fluorene]-4'-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-[4-(2-phenylphenyl)phenyl]spiro[adamantane-2,9'-fluorene]-4'-amine is sourced from PubChem (CID 155407260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).