N-(2-dibenzofuran-1-ylphenyl)-N-(9,9-dimethylfluoren-2-yl)spiro[1,2-dihydroindene-3,9'-fluorene]-2'-amine

C54H39NO — CID 174330715

IUPACN-(2-dibenzofuran-1-ylphenyl)-N-(9,9-dimethylfluoren-2-yl)spiro[1,2-dihydroindene-3,9'-fluorene]-2'-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccc4c(c3)C3(CCc5ccccc53)c3ccccc3-4)c3ccccc3-c3cccc4oc5ccccc5c34)cc21
InChIInChI=1S/C54H39NO/c1-53(2)45-21-9-4-15-37(45)39-28-26-35(32-47(39)53)55(49-23-11-6-17-41(49)42-19-13-25-51-52(42)43-18-7-12-24-50(43)56-51)36-27-29-40-38-16-5-10-22-46(38)54(48(40)33-36)31-30-34-14-3-8-20-44(34)54/h3-29,32-33H,30-31H2,1-2H3
InChIKeyQGELRJYTYKIBTJ-UHFFFAOYSA-N
MW717.91 g/mol
LogP14.29
Rot. Bonds4

About N-(2-dibenzofuran-1-ylphenyl)-N-(9,9-dimethylfluoren-2-yl)spiro[1,2-dihydroindene-3,9'-fluorene]-2'-amine

N-(2-dibenzofuran-1-ylphenyl)-N-(9,9-dimethylfluoren-2-yl)spiro[1,2-dihydroindene-3,9'-fluorene]-2'-amine (PubChem CID 174330715) has the molecular formula C54H39NO and a molecular weight of 717.91 g/mol. Its IUPAC name is N-(2-dibenzofuran-1-ylphenyl)-N-(9,9-dimethylfluoren-2-yl)spiro[1,2-dihydroindene-3,9'-fluorene]-2'-amine.

Molecular Properties

Compound NameN-(2-dibenzofuran-1-ylphenyl)-N-(9,9-dimethylfluoren-2-yl)spiro[1,2-dihydroindene-3,9'-fluorene]-2'-amine
PubChem CID174330715
Molecular FormulaC54H39NO
Molecular Weight717.91 g/mol
Exact Mass717.30
IUPAC NameN-(2-dibenzofuran-1-ylphenyl)-N-(9,9-dimethylfluoren-2-yl)spiro[1,2-dihydroindene-3,9'-fluorene]-2'-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccc4c(c3)C3(CCc5ccccc53)c3ccccc3-4)c3ccccc3-c3cccc4oc5ccccc5c34)cc21
InChIInChI=1S/C54H39NO/c1-53(2)45-21-9-4-15-37(45)39-28-26-35(32-47(39)53)55(49-23-11-6-17-41(49)42-19-13-25-51-52(42)43-18-7-12-24-50(43)56-51)36-27-29-40-38-16-5-10-22-46(38)54(48(40)33-36)31-30-34-14-3-8-20-44(34)54/h3-29,32-33H,30-31H2,1-2H3
InChIKeyQGELRJYTYKIBTJ-UHFFFAOYSA-N
XLogP14.29
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500717.91
LogP ≤ 514.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze N-(2-dibenzofuran-1-ylphenyl)-N-(9,9-dimethylfluoren-2-yl)spiro[1,2-dihydroindene-3,9'-fluorene]-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-(2-dibenzofuran-1-ylphenyl)-N-[3-(9,9-dimethylfluoren-1-yl)phenyl]spiro[1,2-dihydroindene-3,9'-fluorene]-2'-amine
CID 170216421
N-(9,9-dimethylfluoren-2-yl)-N-[2-(9,9-dimethylfluoren-1-yl)phenyl]spiro[1,2-dihydroindene-3,9'-fluorene]-2'-amine
CID 170217336
5-dibenzofuran-1-yl-N,N-bis(9,9-dimethylfluoren-2-yl)naphtho[2,1-b][1]benzofuran-11-amine
CID 170301757
N-(2-dibenzofuran-1-ylphenyl)-N-(9,9-dimethylfluoren-2-yl)naphtho[2,3-b][1]benzofuran-3-amine
CID 176583322
N-[2-dibenzofuran-1-yl-3-(9,9-dimethylfluoren-1-yl)phenyl]-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-amine
CID 167285674
N-(2-dibenzofuran-1-ylphenyl)-9,9-dimethyl-N-[4-(2,3,5,6-tetradeuterio-4-phenylphenyl)phenyl]fluoren-2-amine
CID 176583353
9,9-dimethyl-N-[2-(22-oxahexacyclo[12.11.0.02,7.08,13.015,23.016,21]pentacosa-1(14),2(7),3,5,8,10,12,15(23),16,18,20,24-dodecaen-6-yl)phenyl]-N-[4-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 167121523
N,N-bis(2-dibenzofuran-1-ylphenyl)-9,9'-spirobi[fluorene]-2-amine
CID 176583359
3,6-ditert-butyl-N-[2-(9,9-dimethylfluoren-1-yl)phenyl]-N-spiro[1,2-dihydroindene-3,9'-fluorene]-2'-yl-9,9'-spirobi[fluorene]-2'-amine
CID 170217357
N-[2-dibenzofuran-1-yl-3-(4-phenylphenyl)phenyl]-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-amine
CID 167285876
N-[2-(9,9-dimethylfluoren-1-yl)phenyl]-N-(4-naphtho[1,2-b][1]benzothiol-10-ylphenyl)spiro[1,2-dihydroindene-3,9'-fluorene]-2'-amine
CID 170217273
N-(2-dibenzofuran-1-ylphenyl)-N-[4-(9,9-dimethylfluoren-2-yl)phenyl]naphthalen-1-amine
CID 167324779

Frequently Asked Questions

What is the IUPAC name of N-(2-dibenzofuran-1-ylphenyl)-N-(9,9-dimethylfluoren-2-yl)spiro[1,2-dihydroindene-3,9'-fluorene]-2'-amine?
The IUPAC name of N-(2-dibenzofuran-1-ylphenyl)-N-(9,9-dimethylfluoren-2-yl)spiro[1,2-dihydroindene-3,9'-fluorene]-2'-amine (CID 174330715) is N-(2-dibenzofuran-1-ylphenyl)-N-(9,9-dimethylfluoren-2-yl)spiro[1,2-dihydroindene-3,9'-fluorene]-2'-amine.
What is the SMILES notation for N-(2-dibenzofuran-1-ylphenyl)-N-(9,9-dimethylfluoren-2-yl)spiro[1,2-dihydroindene-3,9'-fluorene]-2'-amine?
The canonical SMILES for N-(2-dibenzofuran-1-ylphenyl)-N-(9,9-dimethylfluoren-2-yl)spiro[1,2-dihydroindene-3,9'-fluorene]-2'-amine is CC1(C)c2ccccc2-c2ccc(N(c3ccc4c(c3)C3(CCc5ccccc53)c3ccccc3-4)c3ccccc3-c3cccc4oc5ccccc5c34)cc21.
What is the InChIKey of N-(2-dibenzofuran-1-ylphenyl)-N-(9,9-dimethylfluoren-2-yl)spiro[1,2-dihydroindene-3,9'-fluorene]-2'-amine?
The InChIKey is QGELRJYTYKIBTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H39NO/c1-53(2)45-21-9-4-15-37(45)39-28-26-35(32-47(39)53)55(49-23-11-6-17-41(49)42-19-13-25-51-52(42)43-18-7-12-24-50(43)56-51)36-27-29-40-38-16-5-10-22-46(38)54(48(40)33-36)31-30-34-14-3-8-20-44(34)54/h3-29,32-33H,30-31H2,1-2H3.
What are the key properties of N-(2-dibenzofuran-1-ylphenyl)-N-(9,9-dimethylfluoren-2-yl)spiro[1,2-dihydroindene-3,9'-fluorene]-2'-amine?
N-(2-dibenzofuran-1-ylphenyl)-N-(9,9-dimethylfluoren-2-yl)spiro[1,2-dihydroindene-3,9'-fluorene]-2'-amine has a molecular weight of 717.91 g/mol, XLogP of 14.29, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-dibenzofuran-1-ylphenyl)-N-(9,9-dimethylfluoren-2-yl)spiro[1,2-dihydroindene-3,9'-fluorene]-2'-amine is sourced from PubChem (CID 174330715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).