N-[3'-(1,1,2,2,3,3-hexamethylinden-5-yl)-9,9'-spirobi[fluorene]-2'-yl]-N-(2-phenylphenyl)dibenzofuran-3-amine

C64H51NO — CID 177084537

IUPACN-[3'-(1,1,2,2,3,3-hexamethylinden-5-yl)-9,9'-spirobi[fluorene]-2'-yl]-N-(2-phenylphenyl)dibenzofuran-3-amine
SMILESCC1(C)c2ccc(-c3cc4c(cc3N(c3ccc5c(c3)oc3ccccc35)c3ccccc3-c3ccccc3)C3(c5ccccc5-c5ccccc53)c3ccccc3-4)cc2C(C)(C)C1(C)C
InChIInChI=1S/C64H51NO/c1-61(2)54-35-32-41(36-56(54)62(3,4)63(61,5)6)49-38-50-46-25-12-17-29-53(46)64(51-27-15-10-23-44(51)45-24-11-16-28-52(45)64)55(50)39-58(49)65(57-30-18-13-22-43(57)40-20-8-7-9-21-40)42-33-34-48-47-26-14-19-31-59(47)66-60(48)37-42/h7-39H,1-6H3
InChIKeyYUIZGGHSVWAMOP-UHFFFAOYSA-N
MW850.12 g/mol
LogP17.33
Rot. Bonds5

About N-[3'-(1,1,2,2,3,3-hexamethylinden-5-yl)-9,9'-spirobi[fluorene]-2'-yl]-N-(2-phenylphenyl)dibenzofuran-3-amine

N-[3'-(1,1,2,2,3,3-hexamethylinden-5-yl)-9,9'-spirobi[fluorene]-2'-yl]-N-(2-phenylphenyl)dibenzofuran-3-amine (PubChem CID 177084537) has the molecular formula C64H51NO and a molecular weight of 850.12 g/mol. Its IUPAC name is N-[3'-(1,1,2,2,3,3-hexamethylinden-5-yl)-9,9'-spirobi[fluorene]-2'-yl]-N-(2-phenylphenyl)dibenzofuran-3-amine.

Molecular Properties

Compound NameN-[3'-(1,1,2,2,3,3-hexamethylinden-5-yl)-9,9'-spirobi[fluorene]-2'-yl]-N-(2-phenylphenyl)dibenzofuran-3-amine
PubChem CID177084537
Molecular FormulaC64H51NO
Molecular Weight850.12 g/mol
Exact Mass849.40
IUPAC NameN-[3'-(1,1,2,2,3,3-hexamethylinden-5-yl)-9,9'-spirobi[fluorene]-2'-yl]-N-(2-phenylphenyl)dibenzofuran-3-amine
SMILESCC1(C)c2ccc(-c3cc4c(cc3N(c3ccc5c(c3)oc3ccccc35)c3ccccc3-c3ccccc3)C3(c5ccccc5-c5ccccc53)c3ccccc3-4)cc2C(C)(C)C1(C)C
InChIInChI=1S/C64H51NO/c1-61(2)54-35-32-41(36-56(54)62(3,4)63(61,5)6)49-38-50-46-25-12-17-29-53(46)64(51-27-15-10-23-44(51)45-24-11-16-28-52(45)64)55(50)39-58(49)65(57-30-18-13-22-43(57)40-20-8-7-9-21-40)42-33-34-48-47-26-14-19-31-59(47)66-60(48)37-42/h7-39H,1-6H3
InChIKeyYUIZGGHSVWAMOP-UHFFFAOYSA-N
XLogP17.33
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms66
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500850.12
LogP ≤ 517.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3'-dibenzofuran-3-yl-N-(2-phenylphenyl)-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-2'-amine
CID 138729044
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,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-(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-(9,9-dimethylfluoren-2-yl)-N-[2-(4-phenylphenyl)phenyl]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]-11'-amine
CID 130462998
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
N-(4-dibenzofuran-3-ylphenyl)-N-(2-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine
CID 164784270
3'-dibenzofuran-2-yl-N-naphthalen-1-yl-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-2'-amine
CID 138729491
N,N-bis[2-(4-phenylphenyl)phenyl]dibenzofuran-3-amine
CID 121311269
N,N-bis(2-dibenzofuran-2-ylphenyl)-9,9'-spirobi[fluorene]-2-amine
CID 118298604
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
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-[3'-(1,1,2,2,3,3-hexamethylinden-5-yl)-9,9'-spirobi[fluorene]-2'-yl]-N-(2-phenylphenyl)dibenzofuran-3-amine?
The IUPAC name of N-[3'-(1,1,2,2,3,3-hexamethylinden-5-yl)-9,9'-spirobi[fluorene]-2'-yl]-N-(2-phenylphenyl)dibenzofuran-3-amine (CID 177084537) is N-[3'-(1,1,2,2,3,3-hexamethylinden-5-yl)-9,9'-spirobi[fluorene]-2'-yl]-N-(2-phenylphenyl)dibenzofuran-3-amine.
What is the SMILES notation for N-[3'-(1,1,2,2,3,3-hexamethylinden-5-yl)-9,9'-spirobi[fluorene]-2'-yl]-N-(2-phenylphenyl)dibenzofuran-3-amine?
The canonical SMILES for N-[3'-(1,1,2,2,3,3-hexamethylinden-5-yl)-9,9'-spirobi[fluorene]-2'-yl]-N-(2-phenylphenyl)dibenzofuran-3-amine is CC1(C)c2ccc(-c3cc4c(cc3N(c3ccc5c(c3)oc3ccccc35)c3ccccc3-c3ccccc3)C3(c5ccccc5-c5ccccc53)c3ccccc3-4)cc2C(C)(C)C1(C)C.
What is the InChIKey of N-[3'-(1,1,2,2,3,3-hexamethylinden-5-yl)-9,9'-spirobi[fluorene]-2'-yl]-N-(2-phenylphenyl)dibenzofuran-3-amine?
The InChIKey is YUIZGGHSVWAMOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H51NO/c1-61(2)54-35-32-41(36-56(54)62(3,4)63(61,5)6)49-38-50-46-25-12-17-29-53(46)64(51-27-15-10-23-44(51)45-24-11-16-28-52(45)64)55(50)39-58(49)65(57-30-18-13-22-43(57)40-20-8-7-9-21-40)42-33-34-48-47-26-14-19-31-59(47)66-60(48)37-42/h7-39H,1-6H3.
What are the key properties of N-[3'-(1,1,2,2,3,3-hexamethylinden-5-yl)-9,9'-spirobi[fluorene]-2'-yl]-N-(2-phenylphenyl)dibenzofuran-3-amine?
N-[3'-(1,1,2,2,3,3-hexamethylinden-5-yl)-9,9'-spirobi[fluorene]-2'-yl]-N-(2-phenylphenyl)dibenzofuran-3-amine has a molecular weight of 850.12 g/mol, XLogP of 17.33, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3'-(1,1,2,2,3,3-hexamethylinden-5-yl)-9,9'-spirobi[fluorene]-2'-yl]-N-(2-phenylphenyl)dibenzofuran-3-amine is sourced from PubChem (CID 177084537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).