5-dibenzofuran-1-yl-N,N-bis(9,9-dimethylfluoren-2-yl)naphtho[2,1-b][1]benzofuran-11-amine

C58H41NO2 — CID 170301757

IUPAC5-dibenzofuran-1-yl-N,N-bis(9,9-dimethylfluoren-2-yl)naphtho[2,1-b][1]benzofuran-11-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccc4c(c3)C(C)(C)c3ccccc3-4)c3cccc4oc5cc(-c6cccc7oc8ccccc8c67)c6ccccc6c5c34)cc21
InChIInChI=1S/C58H41NO2/c1-57(2)45-21-10-7-16-37(45)39-29-27-34(31-47(39)57)59(35-28-30-40-38-17-8-11-22-46(38)58(3,4)48(40)32-35)49-23-14-26-52-56(49)55-41-18-6-5-15-36(41)44(33-53(55)61-52)42-20-13-25-51-54(42)43-19-9-12-24-50(43)60-51/h5-33H,1-4H3
InChIKeyBBYPVIQXDMJDFR-UHFFFAOYSA-N
MW783.97 g/mol
LogP16.39
Rot. Bonds4

About 5-dibenzofuran-1-yl-N,N-bis(9,9-dimethylfluoren-2-yl)naphtho[2,1-b][1]benzofuran-11-amine

5-dibenzofuran-1-yl-N,N-bis(9,9-dimethylfluoren-2-yl)naphtho[2,1-b][1]benzofuran-11-amine (PubChem CID 170301757) has the molecular formula C58H41NO2 and a molecular weight of 783.97 g/mol. Its IUPAC name is 5-dibenzofuran-1-yl-N,N-bis(9,9-dimethylfluoren-2-yl)naphtho[2,1-b][1]benzofuran-11-amine.

Molecular Properties

Compound Name5-dibenzofuran-1-yl-N,N-bis(9,9-dimethylfluoren-2-yl)naphtho[2,1-b][1]benzofuran-11-amine
PubChem CID170301757
Molecular FormulaC58H41NO2
Molecular Weight783.97 g/mol
Exact Mass783.31
IUPAC Name5-dibenzofuran-1-yl-N,N-bis(9,9-dimethylfluoren-2-yl)naphtho[2,1-b][1]benzofuran-11-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccc4c(c3)C(C)(C)c3ccccc3-4)c3cccc4oc5cc(-c6cccc7oc8ccccc8c67)c6ccccc6c5c34)cc21
InChIInChI=1S/C58H41NO2/c1-57(2)45-21-10-7-16-37(45)39-29-27-34(31-47(39)57)59(35-28-30-40-38-17-8-11-22-46(38)58(3,4)48(40)32-35)49-23-14-26-52-56(49)55-41-18-6-5-15-36(41)44(33-53(55)61-52)42-20-13-25-51-54(42)43-19-9-12-24-50(43)60-51/h5-33H,1-4H3
InChIKeyBBYPVIQXDMJDFR-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-dibenzofuran-2-yl-N-(9,9-dimethylfluoren-2-yl)-5-phenylnaphtho[2,1-b][1]benzofuran-11-amine
CID 170301597
N-dibenzofuran-1-yl-N-(9,9-dimethylfluoren-2-yl)-14,14-dimethyl-9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-4-amine
CID 170353038
N-[2-dibenzofuran-1-yl-3-(9,9-dimethylfluoren-1-yl)phenyl]-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-amine
CID 167285674
9,9-dimethyl-N-[2-(22-oxahexacyclo[12.11.0.02,7.08,13.015,23.016,21]pentacosa-1(14),2(7),3,5,8,10,12,15(23),16,18,20,24-dodecaen-6-yl)phenyl]-N-[4-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 167121523
N-(9,9-dimethylfluoren-2-yl)-N-naphthalen-2-yl-5-phenylnaphtho[2,1-b][1]benzofuran-11-amine
CID 170301659
N-(9,9-dimethylfluoren-2-yl)-N-naphthalen-1-yl-22-oxahexacyclo[12.11.0.02,7.08,13.015,23.016,21]pentacosa-1(14),2(7),3,5,8,10,12,15(23),16,18,20,24-dodecaen-4-amine
CID 167121292
N-(2-dibenzofuran-1-ylphenyl)-N-(9,9-dimethylfluoren-2-yl)naphtho[2,3-b][1]benzofuran-3-amine
CID 176583322
N-dibenzofuran-1-yl-N-(9,9-dimethylfluoren-2-yl)spiro[fluorene-9,9'-xanthene]-2-amine
CID 176763170
N-(9,9-dimethylfluoren-2-yl)-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]-4-yldibenzofuran-1-amine
CID 130263964
N-(2-dibenzofuran-1-ylphenyl)-9,9-dimethyl-N-[4-(2,3,5,6-tetradeuterio-4-phenylphenyl)phenyl]fluoren-2-amine
CID 176583353
N-(9,9-dimethylfluoren-2-yl)-5-phenyl-N-(9,9'-spirobi[fluorene]-4-yl)naphtho[2,1-b][1]benzofuran-11-amine
CID 170301615
N-[2-dibenzofuran-1-yl-3-(4-phenylphenyl)phenyl]-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-amine
CID 167285876

Frequently Asked Questions

What is the IUPAC name of 5-dibenzofuran-1-yl-N,N-bis(9,9-dimethylfluoren-2-yl)naphtho[2,1-b][1]benzofuran-11-amine?
The IUPAC name of 5-dibenzofuran-1-yl-N,N-bis(9,9-dimethylfluoren-2-yl)naphtho[2,1-b][1]benzofuran-11-amine (CID 170301757) is 5-dibenzofuran-1-yl-N,N-bis(9,9-dimethylfluoren-2-yl)naphtho[2,1-b][1]benzofuran-11-amine.
What is the SMILES notation for 5-dibenzofuran-1-yl-N,N-bis(9,9-dimethylfluoren-2-yl)naphtho[2,1-b][1]benzofuran-11-amine?
The canonical SMILES for 5-dibenzofuran-1-yl-N,N-bis(9,9-dimethylfluoren-2-yl)naphtho[2,1-b][1]benzofuran-11-amine is CC1(C)c2ccccc2-c2ccc(N(c3ccc4c(c3)C(C)(C)c3ccccc3-4)c3cccc4oc5cc(-c6cccc7oc8ccccc8c67)c6ccccc6c5c34)cc21.
What is the InChIKey of 5-dibenzofuran-1-yl-N,N-bis(9,9-dimethylfluoren-2-yl)naphtho[2,1-b][1]benzofuran-11-amine?
The InChIKey is BBYPVIQXDMJDFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H41NO2/c1-57(2)45-21-10-7-16-37(45)39-29-27-34(31-47(39)57)59(35-28-30-40-38-17-8-11-22-46(38)58(3,4)48(40)32-35)49-23-14-26-52-56(49)55-41-18-6-5-15-36(41)44(33-53(55)61-52)42-20-13-25-51-54(42)43-19-9-12-24-50(43)60-51/h5-33H,1-4H3.
What are the key properties of 5-dibenzofuran-1-yl-N,N-bis(9,9-dimethylfluoren-2-yl)naphtho[2,1-b][1]benzofuran-11-amine?
5-dibenzofuran-1-yl-N,N-bis(9,9-dimethylfluoren-2-yl)naphtho[2,1-b][1]benzofuran-11-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 5-dibenzofuran-1-yl-N,N-bis(9,9-dimethylfluoren-2-yl)naphtho[2,1-b][1]benzofuran-11-amine is sourced from PubChem (CID 170301757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).