N-(2-dibenzofuran-4-ylphenyl)-N-(9,9-dimethylfluoren-2-yl)-9,9'-spirobi[fluorene]-3-amine

C58H39NO — CID 167177941

IUPACN-(2-dibenzofuran-4-ylphenyl)-N-(9,9-dimethylfluoren-2-yl)-9,9'-spirobi[fluorene]-3-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccc4c(c3)-c3ccccc3C43c4ccccc4-c4ccccc43)c3ccccc3-c3cccc4c3oc3ccccc34)cc21
InChIInChI=1S/C58H39NO/c1-57(2)48-24-9-3-16-38(48)42-32-30-37(35-53(42)57)59(54-28-13-7-20-43(54)45-22-15-23-46-44-21-8-14-29-55(44)60-56(45)46)36-31-33-52-47(34-36)41-19-6-12-27-51(41)58(52)49-25-10-4-17-39(49)40-18-5-11-26-50(40)58/h3-35H,1-2H3
InChIKeyHGIPUOSAZMGCNR-UHFFFAOYSA-N
MW765.96 g/mol
LogP15.37
Rot. Bonds4

About N-(2-dibenzofuran-4-ylphenyl)-N-(9,9-dimethylfluoren-2-yl)-9,9'-spirobi[fluorene]-3-amine

N-(2-dibenzofuran-4-ylphenyl)-N-(9,9-dimethylfluoren-2-yl)-9,9'-spirobi[fluorene]-3-amine (PubChem CID 167177941) has the molecular formula C58H39NO and a molecular weight of 765.96 g/mol. Its IUPAC name is N-(2-dibenzofuran-4-ylphenyl)-N-(9,9-dimethylfluoren-2-yl)-9,9'-spirobi[fluorene]-3-amine.

Molecular Properties

Compound NameN-(2-dibenzofuran-4-ylphenyl)-N-(9,9-dimethylfluoren-2-yl)-9,9'-spirobi[fluorene]-3-amine
PubChem CID167177941
Molecular FormulaC58H39NO
Molecular Weight765.96 g/mol
Exact Mass765.30
IUPAC NameN-(2-dibenzofuran-4-ylphenyl)-N-(9,9-dimethylfluoren-2-yl)-9,9'-spirobi[fluorene]-3-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccc4c(c3)-c3ccccc3C43c4ccccc4-c4ccccc43)c3ccccc3-c3cccc4c3oc3ccccc34)cc21
InChIInChI=1S/C58H39NO/c1-57(2)48-24-9-3-16-38(48)42-32-30-37(35-53(42)57)59(54-28-13-7-20-43(54)45-22-15-23-46-44-21-8-14-29-55(44)60-56(45)46)36-31-33-52-47(34-36)41-19-6-12-27-51(41)58(52)49-25-10-4-17-39(49)40-18-5-11-26-50(40)58/h3-35H,1-2H3
InChIKeyHGIPUOSAZMGCNR-UHFFFAOYSA-N
XLogP15.37
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500765.96
LogP ≤ 515.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-dibenzofuran-4-ylphenyl)-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-3-amine
CID 130308754
N-(2-dibenzofuran-4-ylphenyl)-N-[2-(9,9-dimethylfluoren-4-yl)phenyl]-9,9-dimethylfluoren-2-amine
CID 170143021
N-(9,9-dimethylfluoren-2-yl)-N-tetraphenylen-2-yldibenzofuran-4-amine
CID 139298060
9,9-dimethyl-N-(4-phenylphenyl)-N-(4-spiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaene]-3-ylphenyl)fluoren-2-amine;N-(4-phenylphenyl)-N-spiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaene]-3-yldibenzofuran-4-amine
CID 159624894
N-dibenzofuran-1-yl-N-(9,9-dimethylfluoren-2-yl)spiro[fluoreno[2,3-b][1]benzofuran-7,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene]-10'-amine
CID 130463025
N-(2-dibenzofuran-4-ylphenyl)-N-triphenylen-1-yl-9,9'-spirobi[fluorene]-2-amine
CID 130309054
N-dibenzofuran-1-yl-N-(9,9-dimethylfluoren-2-yl)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 130463071
bis[bis[bis[bis(phosphanyl)phosphanyl]phosphanyl]phosphanyl]-[bis[bis[bis(phosphanyl)phosphanyl]phosphanyl]phosphanyl-[bis[bis[bis(phosphanyl)phosphanyl]phosphanyl]phosphanyl-[bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphanyl]phosphanyl]phosphanyl]phosphane;N-(2-dibenzofuran-4-ylphenyl)-N-(9,9-dimethylfluoren-3-yl)-9,9-dimethylfluoren-3-amine
CID 160545651
N-[4-(4'-dibenzofuran-4-yl-9,9'-spirobi[fluorene]-1'-yl)phenyl]-9,9-dimethyl-N-(2-phenylphenyl)fluoren-2-amine
CID 130379490
N-(9,9-dimethylfluoren-2-yl)-N-spiro[pentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene]-10'-yldibenzofuran-4-amine
CID 130462925
N-(4-dibenzofuran-4-ylphenyl)-9,9-dimethyl-N-[2-[3-phenyl-2-(2-phenylphenyl)phenyl]phenyl]fluoren-2-amine
CID 168789334
N-(9,9-dimethylfluoren-2-yl)-N-(2-phenylphenyl)spiro[fluoreno[2,3-b][1]benzofuran-7,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene]-10'-amine
CID 130463020

Frequently Asked Questions

What is the IUPAC name of N-(2-dibenzofuran-4-ylphenyl)-N-(9,9-dimethylfluoren-2-yl)-9,9'-spirobi[fluorene]-3-amine?
The IUPAC name of N-(2-dibenzofuran-4-ylphenyl)-N-(9,9-dimethylfluoren-2-yl)-9,9'-spirobi[fluorene]-3-amine (CID 167177941) is N-(2-dibenzofuran-4-ylphenyl)-N-(9,9-dimethylfluoren-2-yl)-9,9'-spirobi[fluorene]-3-amine.
What is the SMILES notation for N-(2-dibenzofuran-4-ylphenyl)-N-(9,9-dimethylfluoren-2-yl)-9,9'-spirobi[fluorene]-3-amine?
The canonical SMILES for N-(2-dibenzofuran-4-ylphenyl)-N-(9,9-dimethylfluoren-2-yl)-9,9'-spirobi[fluorene]-3-amine is CC1(C)c2ccccc2-c2ccc(N(c3ccc4c(c3)-c3ccccc3C43c4ccccc4-c4ccccc43)c3ccccc3-c3cccc4c3oc3ccccc34)cc21.
What is the InChIKey of N-(2-dibenzofuran-4-ylphenyl)-N-(9,9-dimethylfluoren-2-yl)-9,9'-spirobi[fluorene]-3-amine?
The InChIKey is HGIPUOSAZMGCNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H39NO/c1-57(2)48-24-9-3-16-38(48)42-32-30-37(35-53(42)57)59(54-28-13-7-20-43(54)45-22-15-23-46-44-21-8-14-29-55(44)60-56(45)46)36-31-33-52-47(34-36)41-19-6-12-27-51(41)58(52)49-25-10-4-17-39(49)40-18-5-11-26-50(40)58/h3-35H,1-2H3.
What are the key properties of N-(2-dibenzofuran-4-ylphenyl)-N-(9,9-dimethylfluoren-2-yl)-9,9'-spirobi[fluorene]-3-amine?
N-(2-dibenzofuran-4-ylphenyl)-N-(9,9-dimethylfluoren-2-yl)-9,9'-spirobi[fluorene]-3-amine has a molecular weight of 765.96 g/mol, XLogP of 15.37, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-dibenzofuran-4-ylphenyl)-N-(9,9-dimethylfluoren-2-yl)-9,9'-spirobi[fluorene]-3-amine is sourced from PubChem (CID 167177941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).