N-dibenzofuran-2-yl-N-phenylspiro[fluoreno[2,3-b][1]benzothiole-7,9'-xanthene]-1-amine

C49H29NO2S — CID 162771338

IUPACN-dibenzofuran-2-yl-N-phenylspiro[fluoreno[2,3-b][1]benzothiole-7,9'-xanthene]-1-amine
SMILESc1ccc(N(c2ccc3oc4ccccc4c3c2)c2cccc3sc4cc5c(cc4c23)-c2ccccc2C52c3ccccc3Oc3ccccc32)cc1
InChIInChI=1S/C49H29NO2S/c1-2-13-30(14-3-1)50(31-25-26-43-35(27-31)33-16-5-9-21-42(33)51-43)41-20-12-24-46-48(41)36-28-34-32-15-4-6-17-37(32)49(40(34)29-47(36)53-46)38-18-7-10-22-44(38)52-45-23-11-8-19-39(45)49/h1-29H
InChIKeyBOUVFQVRZFPBBR-UHFFFAOYSA-N
MW695.84 g/mol
LogP13.89
Rot. Bonds3

About N-dibenzofuran-2-yl-N-phenylspiro[fluoreno[2,3-b][1]benzothiole-7,9'-xanthene]-1-amine

N-dibenzofuran-2-yl-N-phenylspiro[fluoreno[2,3-b][1]benzothiole-7,9'-xanthene]-1-amine (PubChem CID 162771338) has the molecular formula C49H29NO2S and a molecular weight of 695.84 g/mol. Its IUPAC name is N-dibenzofuran-2-yl-N-phenylspiro[fluoreno[2,3-b][1]benzothiole-7,9'-xanthene]-1-amine.

Molecular Properties

Compound NameN-dibenzofuran-2-yl-N-phenylspiro[fluoreno[2,3-b][1]benzothiole-7,9'-xanthene]-1-amine
PubChem CID162771338
Molecular FormulaC49H29NO2S
Molecular Weight695.84 g/mol
Exact Mass695.19
IUPAC NameN-dibenzofuran-2-yl-N-phenylspiro[fluoreno[2,3-b][1]benzothiole-7,9'-xanthene]-1-amine
SMILESc1ccc(N(c2ccc3oc4ccccc4c3c2)c2cccc3sc4cc5c(cc4c23)-c2ccccc2C52c3ccccc3Oc3ccccc32)cc1
InChIInChI=1S/C49H29NO2S/c1-2-13-30(14-3-1)50(31-25-26-43-35(27-31)33-16-5-9-21-42(33)51-43)41-20-12-24-46-48(41)36-28-34-32-15-4-6-17-37(32)49(40(34)29-47(36)53-46)38-18-7-10-22-44(38)52-45-23-11-8-19-39(45)49/h1-29H
InChIKeyBOUVFQVRZFPBBR-UHFFFAOYSA-N
XLogP13.89
TPSA25.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500695.84
LogP ≤ 513.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-dibenzothiophen-1-yl-N-phenylspiro[fluoreno[2,3-b][1]benzothiole-7,9'-xanthene]-1-amine;N-dibenzothiophen-2-yl-N-phenylspiro[fluoreno[2,3-b][1]benzothiole-7,9'-xanthene]-1-amine;N-dibenzothiophen-3-yl-N-phenylspiro[fluoreno[2,3-b][1]benzothiole-7,9'-xanthene]-1-amine
CID 163884895
N-dibenzofuran-3-yl-N-phenylspiro[fluoreno[3,2-b][1]benzofuran-11,9'-xanthene]-1-amine
CID 162771436
N-dibenzothiophen-1-yl-N-(9,9-dimethylfluoren-2-yl)spiro[fluoreno[2,3-b][1]benzothiole-7,9'-xanthene]-1-amine
CID 162771384
9,9-dimethyl-N-phenyl-N-(2-spiro[fluoreno[2,3-b][1]benzothiole-7,9'-xanthene]-1-ylphenyl)fluoren-2-amine
CID 162771521
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-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-diphenylfluoren-2-yl)-N-spiro[fluoreno[2,3-b][1]benzothiole-7,9'-thioxanthene]-1-yldibenzofuran-2-amine;N-(9,9-diphenylfluoren-2-yl)-N-spiro[fluoreno[2,3-b][1]benzothiole-7,9'-thioxanthene]-1-yldibenzofuran-3-amine;N-(9,9-diphenylfluoren-2-yl)-N-spiro[fluoreno[2,3-b][1]benzothiole-7,9'-thioxanthene]-1-yldibenzofuran-4-amine
CID 163426378
N-dibenzothiophen-3-yl-N-phenylspiro[fluoreno[2,3-b][1]benzothiole-7,9'-thioxanthene]-1-amine
CID 162771361
N-phenyl-N-[7-(9-phenylfluoren-9-yl)dibenzothiophen-1-yl]dibenzofuran-3-amine
CID 163626827
N-dibenzofuran-1-yl-N-spiro[fluorene-9,9'-xanthene]-3-ylspiro[fluorene-9,9'-xanthene]-2-amine
CID 138476859
N-(3-phenylphenyl)-N-(4-spiro[fluorene-9,9'-xanthene]-3'-ylphenyl)dibenzothiophen-1-amine
CID 167177336
N-dibenzofuran-2-yl-N-spiro[fluorene-9,9'-xanthene]-2-ylspiro[fluorene-9,9'-xanthene]-2-amine
CID 138476872

Frequently Asked Questions

What is the IUPAC name of N-dibenzofuran-2-yl-N-phenylspiro[fluoreno[2,3-b][1]benzothiole-7,9'-xanthene]-1-amine?
The IUPAC name of N-dibenzofuran-2-yl-N-phenylspiro[fluoreno[2,3-b][1]benzothiole-7,9'-xanthene]-1-amine (CID 162771338) is N-dibenzofuran-2-yl-N-phenylspiro[fluoreno[2,3-b][1]benzothiole-7,9'-xanthene]-1-amine.
What is the SMILES notation for N-dibenzofuran-2-yl-N-phenylspiro[fluoreno[2,3-b][1]benzothiole-7,9'-xanthene]-1-amine?
The canonical SMILES for N-dibenzofuran-2-yl-N-phenylspiro[fluoreno[2,3-b][1]benzothiole-7,9'-xanthene]-1-amine is c1ccc(N(c2ccc3oc4ccccc4c3c2)c2cccc3sc4cc5c(cc4c23)-c2ccccc2C52c3ccccc3Oc3ccccc32)cc1.
What is the InChIKey of N-dibenzofuran-2-yl-N-phenylspiro[fluoreno[2,3-b][1]benzothiole-7,9'-xanthene]-1-amine?
The InChIKey is BOUVFQVRZFPBBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H29NO2S/c1-2-13-30(14-3-1)50(31-25-26-43-35(27-31)33-16-5-9-21-42(33)51-43)41-20-12-24-46-48(41)36-28-34-32-15-4-6-17-37(32)49(40(34)29-47(36)53-46)38-18-7-10-22-44(38)52-45-23-11-8-19-39(45)49/h1-29H.
What are the key properties of N-dibenzofuran-2-yl-N-phenylspiro[fluoreno[2,3-b][1]benzothiole-7,9'-xanthene]-1-amine?
N-dibenzofuran-2-yl-N-phenylspiro[fluoreno[2,3-b][1]benzothiole-7,9'-xanthene]-1-amine has a molecular weight of 695.84 g/mol, XLogP of 13.89, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-dibenzofuran-2-yl-N-phenylspiro[fluoreno[2,3-b][1]benzothiole-7,9'-xanthene]-1-amine is sourced from PubChem (CID 162771338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).