N,2-diphenyl-N-(4-spiro[bicyclo[2.2.1]heptane-2,9'-fluorene]-2'-ylphenyl)aniline

C43H35N — CID 166508564

IUPACN,2-diphenyl-N-(4-spiro[bicyclo[2.2.1]heptane-2,9'-fluorene]-2'-ylphenyl)aniline
SMILESc1ccc(-c2ccccc2N(c2ccccc2)c2ccc(-c3ccc4c(c3)C3(CC5CCC3C5)c3ccccc3-4)cc2)cc1
InChIInChI=1S/C43H35N/c1-3-11-32(12-4-1)37-15-8-10-18-42(37)44(35-13-5-2-6-14-35)36-24-20-31(21-25-36)33-22-26-39-38-16-7-9-17-40(38)43(41(39)28-33)29-30-19-23-34(43)27-30/h1-18,20-22,24-26,28,30,34H,19,23,27,29H2
InChIKeyWHRBVPHFJZWSAI-UHFFFAOYSA-N
MW565.76 g/mol
LogP11.58
Rot. Bonds5

About N,2-diphenyl-N-(4-spiro[bicyclo[2.2.1]heptane-2,9'-fluorene]-2'-ylphenyl)aniline

N,2-diphenyl-N-(4-spiro[bicyclo[2.2.1]heptane-2,9'-fluorene]-2'-ylphenyl)aniline (PubChem CID 166508564) has the molecular formula C43H35N and a molecular weight of 565.76 g/mol. Its IUPAC name is N,2-diphenyl-N-(4-spiro[bicyclo[2.2.1]heptane-2,9'-fluorene]-2'-ylphenyl)aniline.

Molecular Properties

Compound NameN,2-diphenyl-N-(4-spiro[bicyclo[2.2.1]heptane-2,9'-fluorene]-2'-ylphenyl)aniline
PubChem CID166508564
Molecular FormulaC43H35N
Molecular Weight565.76 g/mol
Exact Mass565.28
IUPAC NameN,2-diphenyl-N-(4-spiro[bicyclo[2.2.1]heptane-2,9'-fluorene]-2'-ylphenyl)aniline
SMILESc1ccc(-c2ccccc2N(c2ccccc2)c2ccc(-c3ccc4c(c3)C3(CC5CCC3C5)c3ccccc3-4)cc2)cc1
InChIInChI=1S/C43H35N/c1-3-11-32(12-4-1)37-15-8-10-18-42(37)44(35-13-5-2-6-14-35)36-24-20-31(21-25-36)33-22-26-39-38-16-7-9-17-40(38)43(41(39)28-33)29-30-19-23-34(43)27-30/h1-18,20-22,24-26,28,30,34H,19,23,27,29H2
InChIKeyWHRBVPHFJZWSAI-UHFFFAOYSA-N
XLogP11.58
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500565.76
LogP ≤ 511.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N-phenyl-N-(2-phenylphenyl)spiro[bicyclo[2.2.1]heptane-2,9'-fluorene]-2'-amine
CID 166508502
4-phenyl-N-[4-(2-phenylphenyl)phenyl]-N-[4-(4-spiro[bicyclo[2.2.1]heptane-2,9'-fluorene]-2'-ylphenyl)phenyl]aniline
CID 166508560
N-[4-(4-naphthalen-1-ylphenyl)phenyl]-2-[2-(2-phenylphenyl)phenyl]-N-(4-spiro[bicyclo[2.2.1]heptane-2,9'-fluorene]-2'-ylphenyl)aniline
CID 170118198
N-[2-(9,9-dimethylfluoren-1-yl)phenyl]-N-[4-[2-(4-phenylphenyl)phenyl]phenyl]spiro[bicyclo[2.2.1]heptane-2,9'-fluorene]-2'-amine
CID 170218290
N-[2-(9,9-dimethylfluoren-1-yl)phenyl]-N-[4-(4-phenylphenyl)phenyl]spiro[bicyclo[2.2.1]heptane-2,9'-fluorene]-2'-amine
CID 170217106
N-phenyl-N-(4-phenylphenyl)-7-spiro[bicyclo[2.2.1]heptane-2,9'-fluorene]-2'-yldibenzothiophen-3-amine
CID 166508563
N-[4-(4-phenylphenyl)phenyl]-N-(4-spiro[bicyclo[2.2.1]heptane-2,9'-fluorene]-2'-ylphenyl)phenanthren-2-amine
CID 166508480
N-(9,9-dimethylfluoren-2-yl)-N-(3-phenylphenyl)spiro[bicyclo[2.2.1]heptane-2,9'-fluorene]-4'-amine
CID 166508775
N-(4-phenylphenyl)-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]spiro[fluorene-9,2'-tricyclo[5.3.1.04,9]undecane]-2-amine
CID 170121119
N-(4-naphthalen-1-ylphenyl)-N-phenylspiro[bicyclo[2.2.1]heptane-2,9'-fluorene]-2'-amine
CID 166508547
2,4-diphenyl-N-(4-phenylphenyl)-N-(4-spiro[fluorene-9,2'-tricyclo[5.3.1.04,9]undecane]-3-ylphenyl)aniline
CID 156567564
9,9-dimethyl-N,N-bis(4-phenylphenyl)-7-spiro[bicyclo[2.2.1]heptane-2,9'-fluorene]-4'-ylfluoren-2-amine
CID 166508588

Frequently Asked Questions

What is the IUPAC name of N,2-diphenyl-N-(4-spiro[bicyclo[2.2.1]heptane-2,9'-fluorene]-2'-ylphenyl)aniline?
The IUPAC name of N,2-diphenyl-N-(4-spiro[bicyclo[2.2.1]heptane-2,9'-fluorene]-2'-ylphenyl)aniline (CID 166508564) is N,2-diphenyl-N-(4-spiro[bicyclo[2.2.1]heptane-2,9'-fluorene]-2'-ylphenyl)aniline.
What is the SMILES notation for N,2-diphenyl-N-(4-spiro[bicyclo[2.2.1]heptane-2,9'-fluorene]-2'-ylphenyl)aniline?
The canonical SMILES for N,2-diphenyl-N-(4-spiro[bicyclo[2.2.1]heptane-2,9'-fluorene]-2'-ylphenyl)aniline is c1ccc(-c2ccccc2N(c2ccccc2)c2ccc(-c3ccc4c(c3)C3(CC5CCC3C5)c3ccccc3-4)cc2)cc1.
What is the InChIKey of N,2-diphenyl-N-(4-spiro[bicyclo[2.2.1]heptane-2,9'-fluorene]-2'-ylphenyl)aniline?
The InChIKey is WHRBVPHFJZWSAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H35N/c1-3-11-32(12-4-1)37-15-8-10-18-42(37)44(35-13-5-2-6-14-35)36-24-20-31(21-25-36)33-22-26-39-38-16-7-9-17-40(38)43(41(39)28-33)29-30-19-23-34(43)27-30/h1-18,20-22,24-26,28,30,34H,19,23,27,29H2.
What are the key properties of N,2-diphenyl-N-(4-spiro[bicyclo[2.2.1]heptane-2,9'-fluorene]-2'-ylphenyl)aniline?
N,2-diphenyl-N-(4-spiro[bicyclo[2.2.1]heptane-2,9'-fluorene]-2'-ylphenyl)aniline has a molecular weight of 565.76 g/mol, XLogP of 11.58, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-diphenyl-N-(4-spiro[bicyclo[2.2.1]heptane-2,9'-fluorene]-2'-ylphenyl)aniline is sourced from PubChem (CID 166508564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).