N-naphtho[2,1-b][1]benzofuran-9-yl-N-phenylspiro[fluorene-9,9'-xanthene]-1'-amine

C47H29NO2 — CID 166849505

IUPACN-naphtho[2,1-b][1]benzofuran-9-yl-N-phenylspiro[fluorene-9,9'-xanthene]-1'-amine
SMILESc1ccc(N(c2ccc3c(c2)oc2ccc4ccccc4c23)c2cccc3c2C2(c4ccccc4O3)c3ccccc3-c3ccccc32)cc1
InChIInChI=1S/C47H29NO2/c1-2-14-31(15-3-1)48(32-26-27-36-44(29-32)50-42-28-25-30-13-4-5-16-33(30)45(36)42)40-22-12-24-43-46(40)47(39-21-10-11-23-41(39)49-43)37-19-8-6-17-34(37)35-18-7-9-20-38(35)47/h1-29H
InChIKeyXSAILAPHKLOIAU-UHFFFAOYSA-N
MW639.75 g/mol
LogP12.68
Rot. Bonds3

About N-naphtho[2,1-b][1]benzofuran-9-yl-N-phenylspiro[fluorene-9,9'-xanthene]-1'-amine

N-naphtho[2,1-b][1]benzofuran-9-yl-N-phenylspiro[fluorene-9,9'-xanthene]-1'-amine (PubChem CID 166849505) has the molecular formula C47H29NO2 and a molecular weight of 639.75 g/mol. Its IUPAC name is N-naphtho[2,1-b][1]benzofuran-9-yl-N-phenylspiro[fluorene-9,9'-xanthene]-1'-amine.

Molecular Properties

Compound NameN-naphtho[2,1-b][1]benzofuran-9-yl-N-phenylspiro[fluorene-9,9'-xanthene]-1'-amine
PubChem CID166849505
Molecular FormulaC47H29NO2
Molecular Weight639.75 g/mol
Exact Mass639.22
IUPAC NameN-naphtho[2,1-b][1]benzofuran-9-yl-N-phenylspiro[fluorene-9,9'-xanthene]-1'-amine
SMILESc1ccc(N(c2ccc3c(c2)oc2ccc4ccccc4c23)c2cccc3c2C2(c4ccccc4O3)c3ccccc3-c3ccccc32)cc1
InChIInChI=1S/C47H29NO2/c1-2-14-31(15-3-1)48(32-26-27-36-44(29-32)50-42-28-25-30-13-4-5-16-33(30)45(36)42)40-22-12-24-43-46(40)47(39-21-10-11-23-41(39)49-43)37-19-8-6-17-34(37)35-18-7-9-20-38(35)47/h1-29H
InChIKeyXSAILAPHKLOIAU-UHFFFAOYSA-N
XLogP12.68
TPSA25.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500639.75
LogP ≤ 512.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-N,7-N,7-N-triphenyl-1-N-spiro[benzo[b]xanthene-12,9'-fluorene]-2'-yldibenzofuran-1,7-diamine
CID 155483351
N-dibenzofuran-3-yl-N-phenylspiro[fluoreno[3,2-b][1]benzofuran-11,9'-xanthene]-1-amine
CID 162771436
N-[4-(9-phenylfluoren-9-yl)phenyl]-N-[3-(9-phenylxanthen-9-yl)phenyl]naphtho[1,2-b][1]benzofuran-9-amine
CID 166679306
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-phenyl-N-(9,9'-spirobi[fluorene]-4-yl)naphtho[2,1-b][1]benzofuran-10-amine
CID 170272344
N-dibenzofuran-3-yl-N-phenylspiro[9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene-14,9'-xanthene]-4-amine
CID 162771468
N-dibenzofuran-3-yl-N-phenylspiro[benzo[a]phenalene-7,9'-xanthene]-2'-amine
CID 164794801
N-naphthalen-1-yl-N-naphtho[1,2-b][1]benzofuran-9-ylspiro[benzo[a]phenalene-7,9'-xanthene]-3'-amine
CID 164794531
N-(9,9-dimethylfluoren-2-yl)-N-phenylspiro[fluorene-9,9'-xanthene]-1-amine
CID 146333673
N-phenyl-N-[3-[3-(9-phenylfluoren-9-yl)phenyl]phenyl]naphtho[2,1-b][1]benzofuran-11-amine
CID 169293098
N-(4-benzo[g]phenanthren-4-ylphenyl)-N-(2-phenylphenyl)naphtho[2,1-b][1]benzofuran-9-amine
CID 167183177
N-dibenzofuran-3-yl-N-[3-[3-(N-phenylanilino)phenyl]dibenzofuran-1-yl]spiro[fluorene-9,9'-xanthene]-3'-amine
CID 166960071

Frequently Asked Questions

What is the IUPAC name of N-naphtho[2,1-b][1]benzofuran-9-yl-N-phenylspiro[fluorene-9,9'-xanthene]-1'-amine?
The IUPAC name of N-naphtho[2,1-b][1]benzofuran-9-yl-N-phenylspiro[fluorene-9,9'-xanthene]-1'-amine (CID 166849505) is N-naphtho[2,1-b][1]benzofuran-9-yl-N-phenylspiro[fluorene-9,9'-xanthene]-1'-amine.
What is the SMILES notation for N-naphtho[2,1-b][1]benzofuran-9-yl-N-phenylspiro[fluorene-9,9'-xanthene]-1'-amine?
The canonical SMILES for N-naphtho[2,1-b][1]benzofuran-9-yl-N-phenylspiro[fluorene-9,9'-xanthene]-1'-amine is c1ccc(N(c2ccc3c(c2)oc2ccc4ccccc4c23)c2cccc3c2C2(c4ccccc4O3)c3ccccc3-c3ccccc32)cc1.
What is the InChIKey of N-naphtho[2,1-b][1]benzofuran-9-yl-N-phenylspiro[fluorene-9,9'-xanthene]-1'-amine?
The InChIKey is XSAILAPHKLOIAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H29NO2/c1-2-14-31(15-3-1)48(32-26-27-36-44(29-32)50-42-28-25-30-13-4-5-16-33(30)45(36)42)40-22-12-24-43-46(40)47(39-21-10-11-23-41(39)49-43)37-19-8-6-17-34(37)35-18-7-9-20-38(35)47/h1-29H.
What are the key properties of N-naphtho[2,1-b][1]benzofuran-9-yl-N-phenylspiro[fluorene-9,9'-xanthene]-1'-amine?
N-naphtho[2,1-b][1]benzofuran-9-yl-N-phenylspiro[fluorene-9,9'-xanthene]-1'-amine has a molecular weight of 639.75 g/mol, XLogP of 12.68, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-naphtho[2,1-b][1]benzofuran-9-yl-N-phenylspiro[fluorene-9,9'-xanthene]-1'-amine is sourced from PubChem (CID 166849505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).