N-phenyl-N-(2-phenylphenyl)spiro[adamantane-2,9'-fluorene]-1'-amine

C40H35N — CID 156567982

IUPACN-phenyl-N-(2-phenylphenyl)spiro[adamantane-2,9'-fluorene]-1'-amine
SMILESc1ccc(-c2ccccc2N(c2ccccc2)c2cccc3c2C2(c4ccccc4-3)C3CC4CC(C3)CC2C4)cc1
InChIInChI=1S/C40H35N/c1-3-12-29(13-4-1)33-16-8-10-20-37(33)41(32-14-5-2-6-15-32)38-21-11-18-35-34-17-7-9-19-36(34)40(39(35)38)30-23-27-22-28(25-30)26-31(40)24-27/h1-21,27-28,30-31H,22-26H2
InChIKeyJAKUSSPNQKUBOA-UHFFFAOYSA-N
MW529.73 g/mol
LogP10.55
Rot. Bonds4

About N-phenyl-N-(2-phenylphenyl)spiro[adamantane-2,9'-fluorene]-1'-amine

N-phenyl-N-(2-phenylphenyl)spiro[adamantane-2,9'-fluorene]-1'-amine (PubChem CID 156567982) has the molecular formula C40H35N and a molecular weight of 529.73 g/mol. Its IUPAC name is N-phenyl-N-(2-phenylphenyl)spiro[adamantane-2,9'-fluorene]-1'-amine.

Molecular Properties

Compound NameN-phenyl-N-(2-phenylphenyl)spiro[adamantane-2,9'-fluorene]-1'-amine
PubChem CID156567982
Molecular FormulaC40H35N
Molecular Weight529.73 g/mol
Exact Mass529.28
IUPAC NameN-phenyl-N-(2-phenylphenyl)spiro[adamantane-2,9'-fluorene]-1'-amine
SMILESc1ccc(-c2ccccc2N(c2ccccc2)c2cccc3c2C2(c4ccccc4-3)C3CC4CC(C3)CC2C4)cc1
InChIInChI=1S/C40H35N/c1-3-12-29(13-4-1)33-16-8-10-20-37(33)41(32-14-5-2-6-15-32)38-21-11-18-35-34-17-7-9-19-36(34)40(39(35)38)30-23-27-22-28(25-30)26-31(40)24-27/h1-21,27-28,30-31H,22-26H2
InChIKeyJAKUSSPNQKUBOA-UHFFFAOYSA-N
XLogP10.55
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500529.73
LogP ≤ 510.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-N,6-N-diphenyl-1-N-(4-phenylnaphthalen-1-yl)-6-N-spiro[adamantane-2,9'-fluorene]-1'-ylpyrene-1,6-diamine
CID 166050352
N-(4-phenylphenyl)-N-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-1-yl)spiro[adamantane-2,9'-fluorene]-1'-amine
CID 176595774
6-N-(4-tert-butyl-2-phenylphenyl)-1-N,6-N-diphenyl-1-N-spiro[adamantane-2,9'-fluorene]-1'-ylpyrene-1,6-diamine
CID 166050321
N-(9,9-dimethylfluoren-2-yl)-N-phenylspiro[adamantane-2,9'-fluorene]-1'-amine
CID 156567349
N-phenyl-N-spiro[fluorene-9,2'-tricyclo[4.3.1.13,8]undecane]-1-ylspiro[fluorene-9,2'-tricyclo[4.3.1.13,8]undecane]-2-amine
CID 168722546
N,8'-diphenyl-N-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-1-yl)spiro[adamantane-2,9'-fluorene]-4'-amine
CID 176594990
N-(20,20-dimethyl-17-phenyl-4-pentacyclo[19.4.0.02,7.08,13.014,19]pentacosa-1(25),2(7),3,5,8,10,12,14(19),15,17,21,23-dodecaenyl)-N-[3-(4-phenylphenyl)phenyl]spiro[adamantane-2,9'-fluorene]-1'-amine
CID 155407455
N-(4-naphthalen-1-ylphenyl)-4-phenyl-N-[4-(4-spiro[adamantane-2,9'-fluorene]-1'-ylphenyl)phenyl]aniline
CID 156567903
N-(2-phenylphenyl)-N-(4-spiro[adamantane-2,9'-fluorene]-2'-ylphenyl)-9,9'-spirobi[fluorene]-2-amine
CID 167413747
N-[3-(9H-fluoren-9-yl)phenyl]-N-(2-phenylphenyl)spiro[adamantane-2,9'-fluorene]-3'-amine
CID 156573645
6-phenyl-N-(4-phenylphenyl)-N-(2-spiro[adamantane-2,9'-fluorene]-1'-ylphenyl)-9,9'-spirobi[fluorene]-2-amine
CID 168734200
9,9-dimethyl-N-(4-phenylphenyl)-N-(2-spiro[adamantane-2,9'-fluorene]-3'-ylphenyl)fluoren-4-amine
CID 156567971

Frequently Asked Questions

What is the IUPAC name of N-phenyl-N-(2-phenylphenyl)spiro[adamantane-2,9'-fluorene]-1'-amine?
The IUPAC name of N-phenyl-N-(2-phenylphenyl)spiro[adamantane-2,9'-fluorene]-1'-amine (CID 156567982) is N-phenyl-N-(2-phenylphenyl)spiro[adamantane-2,9'-fluorene]-1'-amine.
What is the SMILES notation for N-phenyl-N-(2-phenylphenyl)spiro[adamantane-2,9'-fluorene]-1'-amine?
The canonical SMILES for N-phenyl-N-(2-phenylphenyl)spiro[adamantane-2,9'-fluorene]-1'-amine is c1ccc(-c2ccccc2N(c2ccccc2)c2cccc3c2C2(c4ccccc4-3)C3CC4CC(C3)CC2C4)cc1.
What is the InChIKey of N-phenyl-N-(2-phenylphenyl)spiro[adamantane-2,9'-fluorene]-1'-amine?
The InChIKey is JAKUSSPNQKUBOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H35N/c1-3-12-29(13-4-1)33-16-8-10-20-37(33)41(32-14-5-2-6-15-32)38-21-11-18-35-34-17-7-9-19-36(34)40(39(35)38)30-23-27-22-28(25-30)26-31(40)24-27/h1-21,27-28,30-31H,22-26H2.
What are the key properties of N-phenyl-N-(2-phenylphenyl)spiro[adamantane-2,9'-fluorene]-1'-amine?
N-phenyl-N-(2-phenylphenyl)spiro[adamantane-2,9'-fluorene]-1'-amine has a molecular weight of 529.73 g/mol, XLogP of 10.55, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenyl-N-(2-phenylphenyl)spiro[adamantane-2,9'-fluorene]-1'-amine is sourced from PubChem (CID 156567982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).