N-dibenzofuran-4-yl-N-(9,9-dimethylfluoren-2-yl)-6-(9-methylfluoren-9-yl)dibenzofuran-1-amine

C53H37NO2 — CID 169022361

IUPACN-dibenzofuran-4-yl-N-(9,9-dimethylfluoren-2-yl)-6-(9-methylfluoren-9-yl)dibenzofuran-1-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3cccc4c3oc3ccccc34)c3cccc4oc5c(C6(C)c7ccccc7-c7ccccc76)cccc5c34)cc21
InChIInChI=1S/C53H37NO2/c1-52(2)40-21-8-4-15-33(40)36-30-29-32(31-44(36)52)54(46-26-13-19-38-37-18-7-11-27-47(37)55-51(38)46)45-25-14-28-48-49(45)39-20-12-24-43(50(39)56-48)53(3)41-22-9-5-16-34(41)35-17-6-10-23-42(35)53/h4-31H,1-3H3
InChIKeyBPHVASMXHXKBJX-UHFFFAOYSA-N
MW719.88 g/mol
LogP14.60
Rot. Bonds4

About N-dibenzofuran-4-yl-N-(9,9-dimethylfluoren-2-yl)-6-(9-methylfluoren-9-yl)dibenzofuran-1-amine

N-dibenzofuran-4-yl-N-(9,9-dimethylfluoren-2-yl)-6-(9-methylfluoren-9-yl)dibenzofuran-1-amine (PubChem CID 169022361) has the molecular formula C53H37NO2 and a molecular weight of 719.88 g/mol. Its IUPAC name is N-dibenzofuran-4-yl-N-(9,9-dimethylfluoren-2-yl)-6-(9-methylfluoren-9-yl)dibenzofuran-1-amine.

Molecular Properties

Compound NameN-dibenzofuran-4-yl-N-(9,9-dimethylfluoren-2-yl)-6-(9-methylfluoren-9-yl)dibenzofuran-1-amine
PubChem CID169022361
Molecular FormulaC53H37NO2
Molecular Weight719.88 g/mol
Exact Mass719.28
IUPAC NameN-dibenzofuran-4-yl-N-(9,9-dimethylfluoren-2-yl)-6-(9-methylfluoren-9-yl)dibenzofuran-1-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3cccc4c3oc3ccccc34)c3cccc4oc5c(C6(C)c7ccccc7-c7ccccc76)cccc5c34)cc21
InChIInChI=1S/C53H37NO2/c1-52(2)40-21-8-4-15-33(40)36-30-29-32(31-44(36)52)54(46-26-13-19-38-37-18-7-11-27-47(37)55-51(38)46)45-25-14-28-48-49(45)39-20-12-24-43(50(39)56-48)53(3)41-22-9-5-16-34(41)35-17-6-10-23-42(35)53/h4-31H,1-3H3
InChIKeyBPHVASMXHXKBJX-UHFFFAOYSA-N
XLogP14.60
TPSA29.52 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500719.88
LogP ≤ 514.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-(9,9-dimethylfluoren-2-yl)-N-tetraphenylen-2-yldibenzofuran-4-amine
CID 139298060
2-N,7-N-di(dibenzofuran-4-yl)-2-N,7-N-bis(9,9-dimethylfluoren-2-yl)pyrene-2,7-diamine
CID 123226555
N-dibenzofuran-4-yl-4-(9-methylfluoren-9-yl)-N-(9,9'-spirobi[fluorene]-2-yl)dibenzofuran-2-amine
CID 169022095
N-(9,9-dimethylfluoren-2-yl)-6-(9-methylfluoren-9-yl)-N-(4-phenylphenyl)dibenzofuran-4-amine
CID 169022015
N-(4-dibenzofuran-4-ylphenyl)-N-(9,9-dimethylfluoren-2-yl)-6-(9-methylfluoren-9-yl)dibenzofuran-3-amine
CID 169022283
N,N-bis(9,9-dimethylfluoren-2-yl)-6-phenyldibenzofuran-1-amine
CID 176607730
N-[4-[4-(N-(9,9-dimethylfluoren-2-yl)anilino)phenyl]naphthalen-1-yl]-N-phenyldibenzofuran-4-amine
CID 71126683
N-dibenzofuran-4-yl-6-(9-methylfluoren-9-yl)-N-(4-phenylphenyl)dibenzofuran-4-amine
CID 169021944
5-N,16-N-di(dibenzofuran-4-yl)-5-N,16-N-bis(9,9-dimethylfluoren-2-yl)-8,8-dimethylpentacyclo[11.7.1.02,7.09,21.014,19]henicosa-1(21),2(7),3,5,9,11,13,15,17,19-decaene-5,16-diamine
CID 118633431
2-N,6-N-di(dibenzofuran-4-yl)-2-N,6-N-bis(9,9-dimethylfluoren-2-yl)-9,10-diphenylanthracene-2,6-diamine
CID 89254675
20-N-[4-[4-[dibenzofuran-4-yl-[20-(N-dibenzofuran-4-ylanilino)-12-oxapentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-4-yl]amino]phenyl]phenyl]-4-N,20-N-bis(9,9-dimethylfluoren-2-yl)-4-N-phenyl-12-oxapentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-4,20-diamine
CID 146526881
N-dibenzofuran-4-yl-N-(9,9-diphenylfluoren-2-yl)-4-(9-methylfluoren-9-yl)dibenzofuran-2-amine
CID 169022127

Frequently Asked Questions

What is the IUPAC name of N-dibenzofuran-4-yl-N-(9,9-dimethylfluoren-2-yl)-6-(9-methylfluoren-9-yl)dibenzofuran-1-amine?
The IUPAC name of N-dibenzofuran-4-yl-N-(9,9-dimethylfluoren-2-yl)-6-(9-methylfluoren-9-yl)dibenzofuran-1-amine (CID 169022361) is N-dibenzofuran-4-yl-N-(9,9-dimethylfluoren-2-yl)-6-(9-methylfluoren-9-yl)dibenzofuran-1-amine.
What is the SMILES notation for N-dibenzofuran-4-yl-N-(9,9-dimethylfluoren-2-yl)-6-(9-methylfluoren-9-yl)dibenzofuran-1-amine?
The canonical SMILES for N-dibenzofuran-4-yl-N-(9,9-dimethylfluoren-2-yl)-6-(9-methylfluoren-9-yl)dibenzofuran-1-amine is CC1(C)c2ccccc2-c2ccc(N(c3cccc4c3oc3ccccc34)c3cccc4oc5c(C6(C)c7ccccc7-c7ccccc76)cccc5c34)cc21.
What is the InChIKey of N-dibenzofuran-4-yl-N-(9,9-dimethylfluoren-2-yl)-6-(9-methylfluoren-9-yl)dibenzofuran-1-amine?
The InChIKey is BPHVASMXHXKBJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H37NO2/c1-52(2)40-21-8-4-15-33(40)36-30-29-32(31-44(36)52)54(46-26-13-19-38-37-18-7-11-27-47(37)55-51(38)46)45-25-14-28-48-49(45)39-20-12-24-43(50(39)56-48)53(3)41-22-9-5-16-34(41)35-17-6-10-23-42(35)53/h4-31H,1-3H3.
What are the key properties of N-dibenzofuran-4-yl-N-(9,9-dimethylfluoren-2-yl)-6-(9-methylfluoren-9-yl)dibenzofuran-1-amine?
N-dibenzofuran-4-yl-N-(9,9-dimethylfluoren-2-yl)-6-(9-methylfluoren-9-yl)dibenzofuran-1-amine has a molecular weight of 719.88 g/mol, XLogP of 14.60, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-dibenzofuran-4-yl-N-(9,9-dimethylfluoren-2-yl)-6-(9-methylfluoren-9-yl)dibenzofuran-1-amine is sourced from PubChem (CID 169022361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).