N-(2-phenylphenyl)-N-(4-spiro[bicyclo[2.2.1]heptane-2,9'-fluorene]-4'-ylphenyl)dibenzothiophen-2-amine

C49H37NS — CID 166508757

IUPACN-(2-phenylphenyl)-N-(4-spiro[bicyclo[2.2.1]heptane-2,9'-fluorene]-4'-ylphenyl)dibenzothiophen-2-amine
SMILESc1ccc(-c2ccccc2N(c2ccc(-c3cccc4c3-c3ccccc3C43CC4CCC3C4)cc2)c2ccc3sc4ccccc4c3c2)cc1
InChIInChI=1S/C49H37NS/c1-2-11-33(12-3-1)38-13-5-8-19-45(38)50(37-27-28-47-42(30-37)40-14-6-9-20-46(40)51-47)36-25-22-34(23-26-36)39-16-10-18-44-48(39)41-15-4-7-17-43(41)49(44)31-32-21-24-35(49)29-32/h1-20,22-23,25-28,30,32,35H,21,24,29,31H2
InChIKeyMDUUXROVPZUZQB-UHFFFAOYSA-N
MW671.91 g/mol
LogP13.94
Rot. Bonds5

About N-(2-phenylphenyl)-N-(4-spiro[bicyclo[2.2.1]heptane-2,9'-fluorene]-4'-ylphenyl)dibenzothiophen-2-amine

N-(2-phenylphenyl)-N-(4-spiro[bicyclo[2.2.1]heptane-2,9'-fluorene]-4'-ylphenyl)dibenzothiophen-2-amine (PubChem CID 166508757) has the molecular formula C49H37NS and a molecular weight of 671.91 g/mol. Its IUPAC name is N-(2-phenylphenyl)-N-(4-spiro[bicyclo[2.2.1]heptane-2,9'-fluorene]-4'-ylphenyl)dibenzothiophen-2-amine.

Molecular Properties

Compound NameN-(2-phenylphenyl)-N-(4-spiro[bicyclo[2.2.1]heptane-2,9'-fluorene]-4'-ylphenyl)dibenzothiophen-2-amine
PubChem CID166508757
Molecular FormulaC49H37NS
Molecular Weight671.91 g/mol
Exact Mass671.26
IUPAC NameN-(2-phenylphenyl)-N-(4-spiro[bicyclo[2.2.1]heptane-2,9'-fluorene]-4'-ylphenyl)dibenzothiophen-2-amine
SMILESc1ccc(-c2ccccc2N(c2ccc(-c3cccc4c3-c3ccccc3C43CC4CCC3C4)cc2)c2ccc3sc4ccccc4c3c2)cc1
InChIInChI=1S/C49H37NS/c1-2-11-33(12-3-1)38-13-5-8-19-45(38)50(37-27-28-47-42(30-37)40-14-6-9-20-46(40)51-47)36-25-22-34(23-26-36)39-16-10-18-44-48(39)41-15-4-7-17-43(41)49(44)31-32-21-24-35(49)29-32/h1-20,22-23,25-28,30,32,35H,21,24,29,31H2
InChIKeyMDUUXROVPZUZQB-UHFFFAOYSA-N
XLogP13.94
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500671.91
LogP ≤ 513.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze N-(2-phenylphenyl)-N-(4-spiro[bicyclo[2.2.1]heptane-2,9'-fluorene]-4'-ylphenyl)dibenzothiophen-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(4-dibenzothiophen-2-ylphenyl)-N-naphthalen-2-ylspiro[bicyclo[2.2.1]heptane-2,9'-fluorene]-4'-amine
CID 166508585
N-(4-dibenzothiophen-2-ylphenyl)-N-(4-phenylphenyl)spiro[bicyclo[2.2.1]heptane-2,9'-fluorene]-2'-amine
CID 166508657
N-phenyl-N-spiro[bicyclo[2.2.1]heptane-2,9'-fluorene]-2'-yldibenzothiophen-2-amine
CID 166508773
N-phenyl-N-(2-phenylphenyl)spiro[bicyclo[2.2.1]heptane-2,9'-fluorene]-2'-amine
CID 166508502
N,2-diphenyl-N-(4-spiro[bicyclo[2.2.1]heptane-2,9'-fluorene]-2'-ylphenyl)aniline
CID 166508564
N-phenanthren-2-yl-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]spiro[bicyclo[2.2.1]heptane-2,9'-fluorene]-4'-amine
CID 170117747
N-(9,9-dimethyl-5-phenylfluoren-2-yl)-N-[4-(4-phenylphenyl)phenyl]dibenzothiophen-2-amine
CID 155153832
N-(4-dibenzofuran-3-ylphenyl)-N-(4-phenylphenyl)spiro[bicyclo[2.2.1]heptane-2,9'-fluorene]-4'-amine
CID 166508488
9,9-dimethyl-N,N-bis(4-phenylphenyl)-7-spiro[bicyclo[2.2.1]heptane-2,9'-fluorene]-4'-ylfluoren-2-amine
CID 166508588
N-phenyl-N-(4-phenylphenyl)-7-spiro[bicyclo[2.2.1]heptane-2,9'-fluorene]-2'-yldibenzothiophen-3-amine
CID 166508563
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-(4-dibenzothiophen-2-ylphenyl)-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]spiro[adamantane-2,9'-fluorene]-2'-amine
CID 170113387

Frequently Asked Questions

What is the IUPAC name of N-(2-phenylphenyl)-N-(4-spiro[bicyclo[2.2.1]heptane-2,9'-fluorene]-4'-ylphenyl)dibenzothiophen-2-amine?
The IUPAC name of N-(2-phenylphenyl)-N-(4-spiro[bicyclo[2.2.1]heptane-2,9'-fluorene]-4'-ylphenyl)dibenzothiophen-2-amine (CID 166508757) is N-(2-phenylphenyl)-N-(4-spiro[bicyclo[2.2.1]heptane-2,9'-fluorene]-4'-ylphenyl)dibenzothiophen-2-amine.
What is the SMILES notation for N-(2-phenylphenyl)-N-(4-spiro[bicyclo[2.2.1]heptane-2,9'-fluorene]-4'-ylphenyl)dibenzothiophen-2-amine?
The canonical SMILES for N-(2-phenylphenyl)-N-(4-spiro[bicyclo[2.2.1]heptane-2,9'-fluorene]-4'-ylphenyl)dibenzothiophen-2-amine is c1ccc(-c2ccccc2N(c2ccc(-c3cccc4c3-c3ccccc3C43CC4CCC3C4)cc2)c2ccc3sc4ccccc4c3c2)cc1.
What is the InChIKey of N-(2-phenylphenyl)-N-(4-spiro[bicyclo[2.2.1]heptane-2,9'-fluorene]-4'-ylphenyl)dibenzothiophen-2-amine?
The InChIKey is MDUUXROVPZUZQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H37NS/c1-2-11-33(12-3-1)38-13-5-8-19-45(38)50(37-27-28-47-42(30-37)40-14-6-9-20-46(40)51-47)36-25-22-34(23-26-36)39-16-10-18-44-48(39)41-15-4-7-17-43(41)49(44)31-32-21-24-35(49)29-32/h1-20,22-23,25-28,30,32,35H,21,24,29,31H2.
What are the key properties of N-(2-phenylphenyl)-N-(4-spiro[bicyclo[2.2.1]heptane-2,9'-fluorene]-4'-ylphenyl)dibenzothiophen-2-amine?
N-(2-phenylphenyl)-N-(4-spiro[bicyclo[2.2.1]heptane-2,9'-fluorene]-4'-ylphenyl)dibenzothiophen-2-amine has a molecular weight of 671.91 g/mol, XLogP of 13.94, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-phenylphenyl)-N-(4-spiro[bicyclo[2.2.1]heptane-2,9'-fluorene]-4'-ylphenyl)dibenzothiophen-2-amine is sourced from PubChem (CID 166508757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).