N-dibenzothiophen-3-yl-N-phenylspiro[fluoreno[4,3-b][1]benzofuran-7,9'-xanthene]-4-amine

C49H29NO2S — CID 162771327

IUPACN-dibenzothiophen-3-yl-N-phenylspiro[fluoreno[4,3-b][1]benzofuran-7,9'-xanthene]-4-amine
SMILESc1ccc(N(c2ccc3c(c2)sc2ccccc23)c2cccc3oc4c5c(ccc4c23)C2(c3ccccc3Oc3ccccc32)c2ccccc2-5)cc1
InChIInChI=1S/C49H29NO2S/c1-2-13-30(14-3-1)50(31-25-26-33-32-15-5-11-24-44(32)53-45(33)29-31)40-20-12-23-43-47(40)35-27-28-39-46(48(35)52-43)34-16-4-6-17-36(34)49(39)37-18-7-9-21-41(37)51-42-22-10-8-19-38(42)49/h1-29H
InChIKeyGOHQALXEOCEZTA-UHFFFAOYSA-N
MW695.84 g/mol
LogP13.89
Rot. Bonds3

About N-dibenzothiophen-3-yl-N-phenylspiro[fluoreno[4,3-b][1]benzofuran-7,9'-xanthene]-4-amine

N-dibenzothiophen-3-yl-N-phenylspiro[fluoreno[4,3-b][1]benzofuran-7,9'-xanthene]-4-amine (PubChem CID 162771327) has the molecular formula C49H29NO2S and a molecular weight of 695.84 g/mol. Its IUPAC name is N-dibenzothiophen-3-yl-N-phenylspiro[fluoreno[4,3-b][1]benzofuran-7,9'-xanthene]-4-amine.

Molecular Properties

Compound NameN-dibenzothiophen-3-yl-N-phenylspiro[fluoreno[4,3-b][1]benzofuran-7,9'-xanthene]-4-amine
PubChem CID162771327
Molecular FormulaC49H29NO2S
Molecular Weight695.84 g/mol
Exact Mass695.19
IUPAC NameN-dibenzothiophen-3-yl-N-phenylspiro[fluoreno[4,3-b][1]benzofuran-7,9'-xanthene]-4-amine
SMILESc1ccc(N(c2ccc3c(c2)sc2ccccc23)c2cccc3oc4c5c(ccc4c23)C2(c3ccccc3Oc3ccccc32)c2ccccc2-5)cc1
InChIInChI=1S/C49H29NO2S/c1-2-13-30(14-3-1)50(31-25-26-33-32-15-5-11-24-44(32)53-45(33)29-31)40-20-12-23-43-47(40)35-27-28-39-46(48(35)52-43)34-16-4-6-17-36(34)49(39)37-18-7-9-21-41(37)51-42-22-10-8-19-38(42)49/h1-29H
InChIKeyGOHQALXEOCEZTA-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-dibenzofuran-3-yl-N-phenylspiro[fluoreno[4,3-b][1]benzofuran-7,9'-xanthene]-4-amine;N-phenyl-N-(4-phenylphenyl)spiro[fluoreno[4,3-b][1]benzofuran-7,9'-xanthene]-4-amine
CID 163790193
N-(2-dibenzothiophen-2-ylphenyl)-N-(3-dibenzothiophen-1-ylphenyl)spiro[fluorene-9,7'-fluoreno[4,3-b][1]benzofuran]-4'-amine
CID 155005149
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
2-N-dibenzothiophen-1-yl-1-N,1-N-diphenyl-2-N-spiro[fluorene-9,9'-xanthene]-4-ylbenzene-1,2-diamine
CID 166960048
N-dibenzofuran-3-yl-N-phenylspiro[fluoreno[4,3-b][1]benzofuran-7,9'-xanthene]-3-amine
CID 162771437
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-2-yl-N-phenylspiro[fluoreno[2,3-b][1]benzothiole-7,9'-xanthene]-1-amine
CID 162771338
N-dibenzothiophen-3-yl-N-(9,9-diphenylfluoren-4-yl)dibenzofuran-4-amine
CID 121424656
N-(4-dibenzothiophen-3-ylphenyl)-N-spiro[fluorene-9,9'-thioxanthene]-4-ylspiro[fluorene-9,9'-xanthene]-3-amine
CID 138477237
N-(3-phenylphenyl)-N-(4-spiro[fluorene-9,9'-xanthene]-3'-ylphenyl)dibenzothiophen-1-amine
CID 167177336
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-dibenzothiophen-3-ylspiro[10H-acridine-9,9'-fluorene]-4'-amine
CID 166849603

Frequently Asked Questions

What is the IUPAC name of N-dibenzothiophen-3-yl-N-phenylspiro[fluoreno[4,3-b][1]benzofuran-7,9'-xanthene]-4-amine?
The IUPAC name of N-dibenzothiophen-3-yl-N-phenylspiro[fluoreno[4,3-b][1]benzofuran-7,9'-xanthene]-4-amine (CID 162771327) is N-dibenzothiophen-3-yl-N-phenylspiro[fluoreno[4,3-b][1]benzofuran-7,9'-xanthene]-4-amine.
What is the SMILES notation for N-dibenzothiophen-3-yl-N-phenylspiro[fluoreno[4,3-b][1]benzofuran-7,9'-xanthene]-4-amine?
The canonical SMILES for N-dibenzothiophen-3-yl-N-phenylspiro[fluoreno[4,3-b][1]benzofuran-7,9'-xanthene]-4-amine is c1ccc(N(c2ccc3c(c2)sc2ccccc23)c2cccc3oc4c5c(ccc4c23)C2(c3ccccc3Oc3ccccc32)c2ccccc2-5)cc1.
What is the InChIKey of N-dibenzothiophen-3-yl-N-phenylspiro[fluoreno[4,3-b][1]benzofuran-7,9'-xanthene]-4-amine?
The InChIKey is GOHQALXEOCEZTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H29NO2S/c1-2-13-30(14-3-1)50(31-25-26-33-32-15-5-11-24-44(32)53-45(33)29-31)40-20-12-23-43-47(40)35-27-28-39-46(48(35)52-43)34-16-4-6-17-36(34)49(39)37-18-7-9-21-41(37)51-42-22-10-8-19-38(42)49/h1-29H.
What are the key properties of N-dibenzothiophen-3-yl-N-phenylspiro[fluoreno[4,3-b][1]benzofuran-7,9'-xanthene]-4-amine?
N-dibenzothiophen-3-yl-N-phenylspiro[fluoreno[4,3-b][1]benzofuran-7,9'-xanthene]-4-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-dibenzothiophen-3-yl-N-phenylspiro[fluoreno[4,3-b][1]benzofuran-7,9'-xanthene]-4-amine is sourced from PubChem (CID 162771327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).