N-dibenzofuran-3-yl-N,7-bis(9,9-dimethylfluoren-2-yl)naphtho[1,2-b][1]benzofuran-8-amine

C58H41NO2 — CID 170674918

IUPACN-dibenzofuran-3-yl-N,7-bis(9,9-dimethylfluoren-2-yl)naphtho[1,2-b][1]benzofuran-8-amine
SMILESCC1(C)c2ccccc2-c2ccc(-c3c(N(c4ccc5c(c4)C(C)(C)c4ccccc4-5)c4ccc5c(c4)oc4ccccc45)ccc4oc5c6ccccc6ccc5c34)cc21
InChIInChI=1S/C58H41NO2/c1-57(2)46-18-10-7-15-39(46)41-25-22-35(31-48(41)57)54-50(29-30-52-55(54)45-26-21-34-13-5-6-14-38(34)56(45)61-52)59(37-24-28-44-43-17-9-12-20-51(43)60-53(44)33-37)36-23-27-42-40-16-8-11-19-47(40)58(3,4)49(42)32-36/h5-33H,1-4H3
InChIKeyGGMBFFOSUXDUSK-UHFFFAOYSA-N
MW783.97 g/mol
LogP16.39
Rot. Bonds4

About N-dibenzofuran-3-yl-N,7-bis(9,9-dimethylfluoren-2-yl)naphtho[1,2-b][1]benzofuran-8-amine

N-dibenzofuran-3-yl-N,7-bis(9,9-dimethylfluoren-2-yl)naphtho[1,2-b][1]benzofuran-8-amine (PubChem CID 170674918) has the molecular formula C58H41NO2 and a molecular weight of 783.97 g/mol. Its IUPAC name is N-dibenzofuran-3-yl-N,7-bis(9,9-dimethylfluoren-2-yl)naphtho[1,2-b][1]benzofuran-8-amine.

Molecular Properties

Compound NameN-dibenzofuran-3-yl-N,7-bis(9,9-dimethylfluoren-2-yl)naphtho[1,2-b][1]benzofuran-8-amine
PubChem CID170674918
Molecular FormulaC58H41NO2
Molecular Weight783.97 g/mol
Exact Mass783.31
IUPAC NameN-dibenzofuran-3-yl-N,7-bis(9,9-dimethylfluoren-2-yl)naphtho[1,2-b][1]benzofuran-8-amine
SMILESCC1(C)c2ccccc2-c2ccc(-c3c(N(c4ccc5c(c4)C(C)(C)c4ccccc4-5)c4ccc5c(c4)oc4ccccc45)ccc4oc5c6ccccc6ccc5c34)cc21
InChIInChI=1S/C58H41NO2/c1-57(2)46-18-10-7-15-39(46)41-25-22-35(31-48(41)57)54-50(29-30-52-55(54)45-26-21-34-13-5-6-14-38(34)56(45)61-52)59(37-24-28-44-43-17-9-12-20-51(43)60-53(44)33-37)36-23-27-42-40-16-8-11-19-47(40)58(3,4)49(42)32-36/h5-33H,1-4H3
InChIKeyGGMBFFOSUXDUSK-UHFFFAOYSA-N
XLogP16.39
TPSA29.52 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms61
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500783.97
LogP ≤ 516.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N,N-bis(9,9-dimethylfluoren-2-yl)-1-phenanthren-3-yldibenzofuran-2-amine
CID 177281265
N-(9,9-dimethylfluoren-2-yl)-7-(3-naphthalen-1-ylphenyl)-N-(9,9'-spirobi[fluorene]-2-yl)naphtho[1,2-b][1]benzofuran-8-amine
CID 170675579
N-dibenzofuran-3-yl-N-(9,9-dimethylfluoren-2-yl)-1-(3,5-diphenylphenyl)dibenzofuran-2-amine
CID 177280731
N-(9,9-dimethylfluoren-2-yl)-7-naphthalen-2-yl-N-phenyl-9,14-dioxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaen-6-amine
CID 170535955
1-dibenzofuran-2-yl-N,N-bis(9,9-dimethylfluoren-2-yl)triphenylen-2-amine
CID 177294550
N,N,6-tris(9,9-dimethylfluoren-2-yl)naphtho[2,3-b][1]benzofuran-3-amine
CID 169295606
N-[7-[3-[10-[dibenzofuran-3-yl-(9,9-dimethylfluoren-2-yl)amino]naphtho[1,2-b][1]benzofuran-7-yl]phenyl]-9,9-dimethylfluoren-2-yl]-N-naphthalen-2-yl-7-phenylnaphtho[1,2-b][1]benzofuran-10-amine
CID 174180372
N-(2-dibenzofuran-2-ylphenyl)-N-(9,9-dimethylfluoren-2-yl)-1-naphthalen-2-yldibenzofuran-2-amine
CID 177281538
N-(9,9-dimethylfluoren-2-yl)-N-(3,5-diphenylphenyl)-1-phenanthren-3-yldibenzofuran-2-amine
CID 177281250
N-[4-[4-[4-[(9,9-dimethylfluoren-2-yl)-naphthalen-1-ylamino]phenyl]phenyl]phenyl]-N-naphthalen-1-yldibenzofuran-3-amine
CID 71126681
N-(4-dibenzofuran-4-ylphenyl)-9,9-dimethyl-N-(4-naphtho[1,2-b][1]benzofuran-7-ylphenyl)fluoren-2-amine
CID 166938984
N-(3-dibenzofuran-2-yl-2-phenanthren-9-ylphenyl)-N-(9,9-dimethylfluoren-2-yl)dibenzofuran-3-amine
CID 177274937

Frequently Asked Questions

What is the IUPAC name of N-dibenzofuran-3-yl-N,7-bis(9,9-dimethylfluoren-2-yl)naphtho[1,2-b][1]benzofuran-8-amine?
The IUPAC name of N-dibenzofuran-3-yl-N,7-bis(9,9-dimethylfluoren-2-yl)naphtho[1,2-b][1]benzofuran-8-amine (CID 170674918) is N-dibenzofuran-3-yl-N,7-bis(9,9-dimethylfluoren-2-yl)naphtho[1,2-b][1]benzofuran-8-amine.
What is the SMILES notation for N-dibenzofuran-3-yl-N,7-bis(9,9-dimethylfluoren-2-yl)naphtho[1,2-b][1]benzofuran-8-amine?
The canonical SMILES for N-dibenzofuran-3-yl-N,7-bis(9,9-dimethylfluoren-2-yl)naphtho[1,2-b][1]benzofuran-8-amine is CC1(C)c2ccccc2-c2ccc(-c3c(N(c4ccc5c(c4)C(C)(C)c4ccccc4-5)c4ccc5c(c4)oc4ccccc45)ccc4oc5c6ccccc6ccc5c34)cc21.
What is the InChIKey of N-dibenzofuran-3-yl-N,7-bis(9,9-dimethylfluoren-2-yl)naphtho[1,2-b][1]benzofuran-8-amine?
The InChIKey is GGMBFFOSUXDUSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H41NO2/c1-57(2)46-18-10-7-15-39(46)41-25-22-35(31-48(41)57)54-50(29-30-52-55(54)45-26-21-34-13-5-6-14-38(34)56(45)61-52)59(37-24-28-44-43-17-9-12-20-51(43)60-53(44)33-37)36-23-27-42-40-16-8-11-19-47(40)58(3,4)49(42)32-36/h5-33H,1-4H3.
What are the key properties of N-dibenzofuran-3-yl-N,7-bis(9,9-dimethylfluoren-2-yl)naphtho[1,2-b][1]benzofuran-8-amine?
N-dibenzofuran-3-yl-N,7-bis(9,9-dimethylfluoren-2-yl)naphtho[1,2-b][1]benzofuran-8-amine has a molecular weight of 783.97 g/mol, XLogP of 16.39, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-dibenzofuran-3-yl-N,7-bis(9,9-dimethylfluoren-2-yl)naphtho[1,2-b][1]benzofuran-8-amine is sourced from PubChem (CID 170674918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).