N-dibenzofuran-1-yl-N-spiro[fluorene-9,9'-xanthene]-3-ylspiro[fluorene-9,9'-xanthene]-2-amine

C62H37NO3 — CID 138476859

IUPACN-dibenzofuran-1-yl-N-spiro[fluorene-9,9'-xanthene]-3-ylspiro[fluorene-9,9'-xanthene]-2-amine
SMILESc1ccc2c(c1)Oc1ccccc1C21c2ccccc2-c2cc(N(c3ccc4c(c3)C3(c5ccccc5Oc5ccccc53)c3ccccc3-4)c3cccc4oc5ccccc5c34)ccc21
InChIInChI=1S/C62H37NO3/c1-4-19-45-40(16-1)42-34-32-39(37-52(42)62(45)50-23-8-13-29-57(50)66-58-30-14-9-24-51(58)62)63(53-25-15-31-59-60(53)43-18-3-10-26-54(43)64-59)38-33-35-47-44(36-38)41-17-2-5-20-46(41)61(47)48-21-6-11-27-55(48)65-56-28-12-7-22-49(56)61/h1-37H
InChIKeyNQUCKDJJHXQKCT-UHFFFAOYSA-N
MW843.98 g/mol
LogP15.99
Rot. Bonds3

About N-dibenzofuran-1-yl-N-spiro[fluorene-9,9'-xanthene]-3-ylspiro[fluorene-9,9'-xanthene]-2-amine

N-dibenzofuran-1-yl-N-spiro[fluorene-9,9'-xanthene]-3-ylspiro[fluorene-9,9'-xanthene]-2-amine (PubChem CID 138476859) has the molecular formula C62H37NO3 and a molecular weight of 843.98 g/mol. Its IUPAC name is N-dibenzofuran-1-yl-N-spiro[fluorene-9,9'-xanthene]-3-ylspiro[fluorene-9,9'-xanthene]-2-amine.

Molecular Properties

Compound NameN-dibenzofuran-1-yl-N-spiro[fluorene-9,9'-xanthene]-3-ylspiro[fluorene-9,9'-xanthene]-2-amine
PubChem CID138476859
Molecular FormulaC62H37NO3
Molecular Weight843.98 g/mol
Exact Mass843.28
IUPAC NameN-dibenzofuran-1-yl-N-spiro[fluorene-9,9'-xanthene]-3-ylspiro[fluorene-9,9'-xanthene]-2-amine
SMILESc1ccc2c(c1)Oc1ccccc1C21c2ccccc2-c2cc(N(c3ccc4c(c3)C3(c5ccccc5Oc5ccccc53)c3ccccc3-4)c3cccc4oc5ccccc5c34)ccc21
InChIInChI=1S/C62H37NO3/c1-4-19-45-40(16-1)42-34-32-39(37-52(42)62(45)50-23-8-13-29-57(50)66-58-30-14-9-24-51(58)62)63(53-25-15-31-59-60(53)43-18-3-10-26-54(43)64-59)38-33-35-47-44(36-38)41-17-2-5-20-46(41)61(47)48-21-6-11-27-55(48)65-56-28-12-7-22-49(56)61/h1-37H
InChIKeyNQUCKDJJHXQKCT-UHFFFAOYSA-N
XLogP15.99
TPSA34.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms66
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500843.98
LogP ≤ 515.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-dibenzofuran-1-yl-N-spiro[fluorene-9,9'-thioxanthene]-2-ylspiro[fluorene-9,9'-xanthene]-3-amine
CID 138476111
4-N-dibenzofuran-1-yl-1-N,1-N-diphenyl-4-N-spiro[fluorene-9,9'-xanthene]-2-ylbenzene-1,4-diamine
CID 166959985
N-dibenzofuran-1-yl-N-(9,9-dimethylfluoren-2-yl)spiro[fluorene-9,9'-xanthene]-2-amine
CID 176763170
N-dibenzofuran-1-yl-N-spiro[fluorene-9,9'-xanthene]-4-ylspiro[fluorene-9,9'-xanthene]-2-amine
CID 138476554
N-dibenzofuran-1-yl-N-(9,9'-spirobi[fluorene]-2-yl)dibenzofuran-1-amine
CID 138716831
N-dibenzofuran-3-yl-N-phenylspiro[fluoreno[3,2-b][1]benzofuran-11,9'-xanthene]-1-amine
CID 162771436
N-dibenzofuran-2-yl-N-spiro[fluorene-9,9'-xanthene]-2-ylspiro[fluorene-9,9'-xanthene]-2-amine
CID 138476872
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-dibenzofuran-4-yl-N-(4-dibenzofuran-1-ylphenyl)spiro[fluorene-9,9'-xanthene]-2-amine
CID 167176643
N-phenyl-N-(9,9,10,10-tetramethylphenanthren-3-yl)spiro[fluoreno[2,3-b][1]benzofuran-7,9'-xanthene]-1-amine
CID 162771509
N,N-bis(2-dibenzofuran-1-ylphenyl)-9,9'-spirobi[fluorene]-2-amine
CID 176583359
N-(4-phenylphenyl)-N-(7'-phenyl-9,9'-spirobi[fluorene]-2'-yl)dibenzofuran-1-amine
CID 138717047

Frequently Asked Questions

What is the IUPAC name of N-dibenzofuran-1-yl-N-spiro[fluorene-9,9'-xanthene]-3-ylspiro[fluorene-9,9'-xanthene]-2-amine?
The IUPAC name of N-dibenzofuran-1-yl-N-spiro[fluorene-9,9'-xanthene]-3-ylspiro[fluorene-9,9'-xanthene]-2-amine (CID 138476859) is N-dibenzofuran-1-yl-N-spiro[fluorene-9,9'-xanthene]-3-ylspiro[fluorene-9,9'-xanthene]-2-amine.
What is the SMILES notation for N-dibenzofuran-1-yl-N-spiro[fluorene-9,9'-xanthene]-3-ylspiro[fluorene-9,9'-xanthene]-2-amine?
The canonical SMILES for N-dibenzofuran-1-yl-N-spiro[fluorene-9,9'-xanthene]-3-ylspiro[fluorene-9,9'-xanthene]-2-amine is c1ccc2c(c1)Oc1ccccc1C21c2ccccc2-c2cc(N(c3ccc4c(c3)C3(c5ccccc5Oc5ccccc53)c3ccccc3-4)c3cccc4oc5ccccc5c34)ccc21.
What is the InChIKey of N-dibenzofuran-1-yl-N-spiro[fluorene-9,9'-xanthene]-3-ylspiro[fluorene-9,9'-xanthene]-2-amine?
The InChIKey is NQUCKDJJHXQKCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C62H37NO3/c1-4-19-45-40(16-1)42-34-32-39(37-52(42)62(45)50-23-8-13-29-57(50)66-58-30-14-9-24-51(58)62)63(53-25-15-31-59-60(53)43-18-3-10-26-54(43)64-59)38-33-35-47-44(36-38)41-17-2-5-20-46(41)61(47)48-21-6-11-27-55(48)65-56-28-12-7-22-49(56)61/h1-37H.
What are the key properties of N-dibenzofuran-1-yl-N-spiro[fluorene-9,9'-xanthene]-3-ylspiro[fluorene-9,9'-xanthene]-2-amine?
N-dibenzofuran-1-yl-N-spiro[fluorene-9,9'-xanthene]-3-ylspiro[fluorene-9,9'-xanthene]-2-amine has a molecular weight of 843.98 g/mol, XLogP of 15.99, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-dibenzofuran-1-yl-N-spiro[fluorene-9,9'-xanthene]-3-ylspiro[fluorene-9,9'-xanthene]-2-amine is sourced from PubChem (CID 138476859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).