3-N-naphtho[2,3-b][1]benzofuran-2-yl-1-N,1-N-diphenyl-3-N-spiro[fluorene-9,9'-xanthene]-2'-ylbenzene-1,3-diamine

C59H38N2O2 — CID 166959987

IUPAC3-N-naphtho[2,3-b][1]benzofuran-2-yl-1-N,1-N-diphenyl-3-N-spiro[fluorene-9,9'-xanthene]-2'-ylbenzene-1,3-diamine
SMILESc1ccc(N(c2ccccc2)c2cccc(N(c3ccc4c(c3)C3(c5ccccc5O4)c4ccccc4-c4ccccc43)c3ccc4oc5cc6ccccc6cc5c4c3)c2)cc1
InChIInChI=1S/C59H38N2O2/c1-3-18-41(19-4-1)60(42-20-5-2-6-21-42)43-22-15-23-44(36-43)61(45-30-32-55-50(37-45)49-34-39-16-7-8-17-40(39)35-58(49)62-55)46-31-33-57-54(38-46)59(53-28-13-14-29-56(53)63-57)51-26-11-9-24-47(51)48-25-10-12-27-52(48)59/h1-38H
InChIKeyOMRIPNQMSMAJLO-UHFFFAOYSA-N
MW806.97 g/mol
LogP16.15
Rot. Bonds6

About 3-N-naphtho[2,3-b][1]benzofuran-2-yl-1-N,1-N-diphenyl-3-N-spiro[fluorene-9,9'-xanthene]-2'-ylbenzene-1,3-diamine

3-N-naphtho[2,3-b][1]benzofuran-2-yl-1-N,1-N-diphenyl-3-N-spiro[fluorene-9,9'-xanthene]-2'-ylbenzene-1,3-diamine (PubChem CID 166959987) has the molecular formula C59H38N2O2 and a molecular weight of 806.97 g/mol. Its IUPAC name is 3-N-naphtho[2,3-b][1]benzofuran-2-yl-1-N,1-N-diphenyl-3-N-spiro[fluorene-9,9'-xanthene]-2'-ylbenzene-1,3-diamine.

Molecular Properties

Compound Name3-N-naphtho[2,3-b][1]benzofuran-2-yl-1-N,1-N-diphenyl-3-N-spiro[fluorene-9,9'-xanthene]-2'-ylbenzene-1,3-diamine
PubChem CID166959987
Molecular FormulaC59H38N2O2
Molecular Weight806.97 g/mol
Exact Mass806.29
IUPAC Name3-N-naphtho[2,3-b][1]benzofuran-2-yl-1-N,1-N-diphenyl-3-N-spiro[fluorene-9,9'-xanthene]-2'-ylbenzene-1,3-diamine
SMILESc1ccc(N(c2ccccc2)c2cccc(N(c3ccc4c(c3)C3(c5ccccc5O4)c4ccccc4-c4ccccc43)c3ccc4oc5cc6ccccc6cc5c4c3)c2)cc1
InChIInChI=1S/C59H38N2O2/c1-3-18-41(19-4-1)60(42-20-5-2-6-21-42)43-22-15-23-44(36-43)61(45-30-32-55-50(37-45)49-34-39-16-7-8-17-40(39)35-58(49)62-55)46-31-33-57-54(38-46)59(53-28-13-14-29-56(53)63-57)51-26-11-9-24-47(51)48-25-10-12-27-52(48)59/h1-38H
InChIKeyOMRIPNQMSMAJLO-UHFFFAOYSA-N
XLogP16.15
TPSA28.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms63
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500806.97
LogP ≤ 516.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 3-N-naphtho[2,3-b][1]benzofuran-2-yl-1-N,1-N-diphenyl-3-N-spiro[fluorene-9,9'-xanthene]-2'-ylbenzene-1,3-diamine with MolForge

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Related Compounds

N-dibenzofuran-3-yl-N-phenylspiro[benzo[a]phenalene-7,9'-xanthene]-2'-amine
CID 164794801
N-dibenzofuran-2-yl-N-spiro[fluorene-9,9'-xanthene]-2-ylspiro[fluorene-9,9'-xanthene]-2-amine
CID 138476872
1-N,7-N,7-N-triphenyl-1-N-spiro[benzo[b]xanthene-12,9'-fluorene]-2'-yldibenzofuran-1,7-diamine
CID 155483351
N,N-diphenylspiro[9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene-14,9'-xanthene]-5-amine
CID 162771284
4-N-dibenzofuran-1-yl-1-N,1-N-diphenyl-4-N-spiro[fluorene-9,9'-xanthene]-2-ylbenzene-1,4-diamine
CID 166959985
2-N'-dibenzofuran-2-yl-4-N-naphthalen-2-yl-2-N',4-N-diphenyl-9,9'-spirobi[fluorene]-2',4-diamine
CID 140915341
N-dibenzofuran-2-yl-9-phenyl-N-spiro[benzo[a]phenalene-7,9'-xanthene]-2'-ylcarbazol-3-amine
CID 164794710
N-naphthalen-2-yl-N-phenylspiro[fluorene-9,9'-xanthene]-3'-amine
CID 167177755
N-dibenzofuran-2-yl-N-spiro[fluorene-9,9'-xanthene]-3-ylspiro[fluorene-9,9'-xanthene]-3-amine;N-dibenzofuran-4-yl-N-spiro[fluorene-9,9'-xanthene]-3-ylspiro[fluorene-9,9'-xanthene]-3-amine;N-phenyl-N-spiro[fluorene-9,9'-xanthene]-3-ylspiro[fluorene-9,9'-xanthene]-3-amine
CID 158083207
N,9,9-triphenyl-N-[4-(9-phenylfluoren-9-yl)phenyl]xanthen-2-amine
CID 166679205
N-dibenzofuran-2-yl-9-phenyl-N-spiro[benzo[a]phenalene-7,9'-xanthene]-2'-ylcarbazol-2-amine
CID 164794806
4-naphthalen-2-yl-N-phenyl-N-(4-spiro[fluorene-9,9'-xanthene]-2'-ylphenyl)aniline
CID 167176702

Frequently Asked Questions

What is the IUPAC name of 3-N-naphtho[2,3-b][1]benzofuran-2-yl-1-N,1-N-diphenyl-3-N-spiro[fluorene-9,9'-xanthene]-2'-ylbenzene-1,3-diamine?
The IUPAC name of 3-N-naphtho[2,3-b][1]benzofuran-2-yl-1-N,1-N-diphenyl-3-N-spiro[fluorene-9,9'-xanthene]-2'-ylbenzene-1,3-diamine (CID 166959987) is 3-N-naphtho[2,3-b][1]benzofuran-2-yl-1-N,1-N-diphenyl-3-N-spiro[fluorene-9,9'-xanthene]-2'-ylbenzene-1,3-diamine.
What is the SMILES notation for 3-N-naphtho[2,3-b][1]benzofuran-2-yl-1-N,1-N-diphenyl-3-N-spiro[fluorene-9,9'-xanthene]-2'-ylbenzene-1,3-diamine?
The canonical SMILES for 3-N-naphtho[2,3-b][1]benzofuran-2-yl-1-N,1-N-diphenyl-3-N-spiro[fluorene-9,9'-xanthene]-2'-ylbenzene-1,3-diamine is c1ccc(N(c2ccccc2)c2cccc(N(c3ccc4c(c3)C3(c5ccccc5O4)c4ccccc4-c4ccccc43)c3ccc4oc5cc6ccccc6cc5c4c3)c2)cc1.
What is the InChIKey of 3-N-naphtho[2,3-b][1]benzofuran-2-yl-1-N,1-N-diphenyl-3-N-spiro[fluorene-9,9'-xanthene]-2'-ylbenzene-1,3-diamine?
The InChIKey is OMRIPNQMSMAJLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C59H38N2O2/c1-3-18-41(19-4-1)60(42-20-5-2-6-21-42)43-22-15-23-44(36-43)61(45-30-32-55-50(37-45)49-34-39-16-7-8-17-40(39)35-58(49)62-55)46-31-33-57-54(38-46)59(53-28-13-14-29-56(53)63-57)51-26-11-9-24-47(51)48-25-10-12-27-52(48)59/h1-38H.
What are the key properties of 3-N-naphtho[2,3-b][1]benzofuran-2-yl-1-N,1-N-diphenyl-3-N-spiro[fluorene-9,9'-xanthene]-2'-ylbenzene-1,3-diamine?
3-N-naphtho[2,3-b][1]benzofuran-2-yl-1-N,1-N-diphenyl-3-N-spiro[fluorene-9,9'-xanthene]-2'-ylbenzene-1,3-diamine has a molecular weight of 806.97 g/mol, XLogP of 16.15, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-naphtho[2,3-b][1]benzofuran-2-yl-1-N,1-N-diphenyl-3-N-spiro[fluorene-9,9'-xanthene]-2'-ylbenzene-1,3-diamine is sourced from PubChem (CID 166959987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).