N-[2',7'-bis(1-deuteriocyclopentyl)-9,9'-spirobi[fluorene]-4-yl]-N-(2-phenylphenyl)dibenzofuran-3-amine

C59H47NO — CID 169286052

IUPACN-[2',7'-bis(1-deuteriocyclopentyl)-9,9'-spirobi[fluorene]-4-yl]-N-(2-phenylphenyl)dibenzofuran-3-amine
SMILES[2H]C1(c2ccc3c(c2)C2(c4cc(C5([2H])CCCC5)ccc4-3)c3ccccc3-c3c(N(c4ccc5c(c4)oc4ccccc45)c4ccccc4-c4ccccc4)cccc32)CCCC1
InChIInChI=1S/C59H47NO/c1-2-19-40(20-3-1)44-21-9-12-26-54(44)60(43-31-34-48-47-22-10-13-28-56(47)61-57(48)37-43)55-27-14-25-51-58(55)49-23-8-11-24-50(49)59(51)52-35-41(38-15-4-5-16-38)29-32-45(52)46-33-30-42(36-53(46)59)39-17-6-7-18-39/h1-3,8-14,19-39H,4-7,15-18H2/i38D,39D
InChIKeyUFECPCNTSVOOPA-HUAHIRJZSA-N
MW788.04 g/mol
LogP16.38
Rot. Bonds6

About N-[2',7'-bis(1-deuteriocyclopentyl)-9,9'-spirobi[fluorene]-4-yl]-N-(2-phenylphenyl)dibenzofuran-3-amine

N-[2',7'-bis(1-deuteriocyclopentyl)-9,9'-spirobi[fluorene]-4-yl]-N-(2-phenylphenyl)dibenzofuran-3-amine (PubChem CID 169286052) has the molecular formula C59H47NO and a molecular weight of 788.04 g/mol. Its IUPAC name is N-[2',7'-bis(1-deuteriocyclopentyl)-9,9'-spirobi[fluorene]-4-yl]-N-(2-phenylphenyl)dibenzofuran-3-amine.

Molecular Properties

Compound NameN-[2',7'-bis(1-deuteriocyclopentyl)-9,9'-spirobi[fluorene]-4-yl]-N-(2-phenylphenyl)dibenzofuran-3-amine
PubChem CID169286052
Molecular FormulaC59H47NO
Molecular Weight788.04 g/mol
Exact Mass787.38
IUPAC NameN-[2',7'-bis(1-deuteriocyclopentyl)-9,9'-spirobi[fluorene]-4-yl]-N-(2-phenylphenyl)dibenzofuran-3-amine
SMILES[2H]C1(c2ccc3c(c2)C2(c4cc(C5([2H])CCCC5)ccc4-3)c3ccccc3-c3c(N(c4ccc5c(c4)oc4ccccc45)c4ccccc4-c4ccccc4)cccc32)CCCC1
InChIInChI=1S/C59H47NO/c1-2-19-40(20-3-1)44-21-9-12-26-54(44)60(43-31-34-48-47-22-10-13-28-56(47)61-57(48)37-43)55-27-14-25-51-58(55)49-23-8-11-24-50(49)59(51)52-35-41(38-15-4-5-16-38)29-32-45(52)46-33-30-42(36-53(46)59)39-17-6-7-18-39/h1-3,8-14,19-39H,4-7,15-18H2/i38D,39D
InChIKeyUFECPCNTSVOOPA-HUAHIRJZSA-N
XLogP16.38
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms61
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500788.04
LogP ≤ 516.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze N-[2',7'-bis(1-deuteriocyclopentyl)-9,9'-spirobi[fluorene]-4-yl]-N-(2-phenylphenyl)dibenzofuran-3-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

2',7'-bis(1-deuteriocyclopentyl)-N-(4-naphthalen-1-ylphenyl)-N-(2-phenylphenyl)-9,9'-spirobi[fluorene]-4-amine
CID 169286012
N-dibenzofuran-3-yl-N-(2-phenylphenyl)spiro[9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene-14,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene]-11'-amine
CID 130463642
2',7'-bis(4-deuteriooxan-4-yl)-N-(9,9-dimethylfluoren-2-yl)-N-(2-phenylphenyl)-9,9'-spirobi[fluorene]-4-amine
CID 169286020
N-(4-phenylphenyl)-N-[4'-[4-[4-[4-phenyl-N-(9,9'-spirobi[fluorene]-4-yl)anilino]phenyl]phenyl]-9,9'-spirobi[fluorene]-4-yl]dibenzofuran-3-amine
CID 139352149
N,N-bis(2-phenylphenyl)spiro[fluoreno[3,2-b][1]benzofuran-11,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene]-11'-amine
CID 130463062
N-[3-phenyl-2-(2-phenylphenyl)phenyl]-N-(9,9'-spirobi[fluorene]-2-yl)dibenzofuran-3-amine
CID 168788654
3-N-dibenzofuran-3-yl-1-N-(9,9-diphenylfluoren-4-yl)-1-N-[3-(9-phenylfluoren-9-yl)phenyl]-3-N-(2-phenylphenyl)benzene-1,3-diamine
CID 155096767
N-dibenzofuran-3-yl-N-(2-phenylphenyl)spiro[fluoreno[3,2-b][1]benzofuran-11,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene]-10'-amine
CID 130463123
N-(2-phenylphenyl)-N-spiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene]-11'-yldibenzofuran-3-amine;N-(4-phenylphenyl)-N-spiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene]-11'-yldibenzofuran-3-amine;N-(4-phenylphenyl)-N-(4-spiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene]-11'-ylphenyl)dibenzofuran-3-amine
CID 157361279
N-(4-dibenzofuran-3-ylphenyl)-N-(2-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine
CID 164784270
N-(4-phenylphenyl)-N-[4-(9,9'-spirobi[fluorene]-4'-yl)phenyl]dibenzofuran-3-amine
CID 168771578
N-(2-dibenzofuran-1-ylphenyl)-N-[2-(4-phenylphenyl)phenyl]-9,9'-spirobi[fluorene]-2-amine
CID 176583375

Frequently Asked Questions

What is the IUPAC name of N-[2',7'-bis(1-deuteriocyclopentyl)-9,9'-spirobi[fluorene]-4-yl]-N-(2-phenylphenyl)dibenzofuran-3-amine?
The IUPAC name of N-[2',7'-bis(1-deuteriocyclopentyl)-9,9'-spirobi[fluorene]-4-yl]-N-(2-phenylphenyl)dibenzofuran-3-amine (CID 169286052) is N-[2',7'-bis(1-deuteriocyclopentyl)-9,9'-spirobi[fluorene]-4-yl]-N-(2-phenylphenyl)dibenzofuran-3-amine.
What is the SMILES notation for N-[2',7'-bis(1-deuteriocyclopentyl)-9,9'-spirobi[fluorene]-4-yl]-N-(2-phenylphenyl)dibenzofuran-3-amine?
The canonical SMILES for N-[2',7'-bis(1-deuteriocyclopentyl)-9,9'-spirobi[fluorene]-4-yl]-N-(2-phenylphenyl)dibenzofuran-3-amine is [2H]C1(c2ccc3c(c2)C2(c4cc(C5([2H])CCCC5)ccc4-3)c3ccccc3-c3c(N(c4ccc5c(c4)oc4ccccc45)c4ccccc4-c4ccccc4)cccc32)CCCC1.
What is the InChIKey of N-[2',7'-bis(1-deuteriocyclopentyl)-9,9'-spirobi[fluorene]-4-yl]-N-(2-phenylphenyl)dibenzofuran-3-amine?
The InChIKey is UFECPCNTSVOOPA-HUAHIRJZSA-N. The full InChI is InChI=1S/C59H47NO/c1-2-19-40(20-3-1)44-21-9-12-26-54(44)60(43-31-34-48-47-22-10-13-28-56(47)61-57(48)37-43)55-27-14-25-51-58(55)49-23-8-11-24-50(49)59(51)52-35-41(38-15-4-5-16-38)29-32-45(52)46-33-30-42(36-53(46)59)39-17-6-7-18-39/h1-3,8-14,19-39H,4-7,15-18H2/i38D,39D.
What are the key properties of N-[2',7'-bis(1-deuteriocyclopentyl)-9,9'-spirobi[fluorene]-4-yl]-N-(2-phenylphenyl)dibenzofuran-3-amine?
N-[2',7'-bis(1-deuteriocyclopentyl)-9,9'-spirobi[fluorene]-4-yl]-N-(2-phenylphenyl)dibenzofuran-3-amine has a molecular weight of 788.04 g/mol, XLogP of 16.38, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2',7'-bis(1-deuteriocyclopentyl)-9,9'-spirobi[fluorene]-4-yl]-N-(2-phenylphenyl)dibenzofuran-3-amine is sourced from PubChem (CID 169286052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).