4'-(1-adamantyl)-N-dibenzofuran-1-yl-N-dibenzothiophen-2-ylspiro[fluorene-9,9'-xanthene]-2'-amine

C59H43NO2S — CID 168799019

IUPAC4'-(1-adamantyl)-N-dibenzofuran-1-yl-N-dibenzothiophen-2-ylspiro[fluorene-9,9'-xanthene]-2'-amine
SMILESc1ccc2c(c1)Oc1c(C34CC5CC(CC(C5)C3)C4)cc(N(c3ccc4sc5ccccc5c4c3)c3cccc4oc5ccccc5c34)cc1C21c2ccccc2-c2ccccc21
InChIInChI=1S/C59H43NO2S/c1-5-16-45-40(12-1)41-13-2-6-17-46(41)59(45)47-18-7-9-21-52(47)62-57-48(58-32-35-26-36(33-58)28-37(27-35)34-58)30-39(31-49(57)59)60(38-24-25-55-44(29-38)42-14-4-10-23-54(42)63-55)50-19-11-22-53-56(50)43-15-3-8-20-51(43)61-53/h1-25,29-31,35-37H,26-28,32-34H2
InChIKeySVTRTLTYMSFNBO-UHFFFAOYSA-N
MW830.07 g/mol
LogP16.36
Rot. Bonds4

About 4'-(1-adamantyl)-N-dibenzofuran-1-yl-N-dibenzothiophen-2-ylspiro[fluorene-9,9'-xanthene]-2'-amine

4'-(1-adamantyl)-N-dibenzofuran-1-yl-N-dibenzothiophen-2-ylspiro[fluorene-9,9'-xanthene]-2'-amine (PubChem CID 168799019) has the molecular formula C59H43NO2S and a molecular weight of 830.07 g/mol. Its IUPAC name is 4'-(1-adamantyl)-N-dibenzofuran-1-yl-N-dibenzothiophen-2-ylspiro[fluorene-9,9'-xanthene]-2'-amine.

Molecular Properties

Compound Name4'-(1-adamantyl)-N-dibenzofuran-1-yl-N-dibenzothiophen-2-ylspiro[fluorene-9,9'-xanthene]-2'-amine
PubChem CID168799019
Molecular FormulaC59H43NO2S
Molecular Weight830.07 g/mol
Exact Mass829.30
IUPAC Name4'-(1-adamantyl)-N-dibenzofuran-1-yl-N-dibenzothiophen-2-ylspiro[fluorene-9,9'-xanthene]-2'-amine
SMILESc1ccc2c(c1)Oc1c(C34CC5CC(CC(C5)C3)C4)cc(N(c3ccc4sc5ccccc5c4c3)c3cccc4oc5ccccc5c34)cc1C21c2ccccc2-c2ccccc21
InChIInChI=1S/C59H43NO2S/c1-5-16-45-40(12-1)41-13-2-6-17-46(41)59(45)47-18-7-9-21-52(47)62-57-48(58-32-35-26-36(33-58)28-37(27-35)34-58)30-39(31-49(57)59)60(38-24-25-55-44(29-38)42-14-4-10-23-54(42)63-55)50-19-11-22-53-56(50)43-15-3-8-20-51(43)61-53/h1-25,29-31,35-37H,26-28,32-34H2
InChIKeySVTRTLTYMSFNBO-UHFFFAOYSA-N
XLogP16.36
TPSA25.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms63
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500830.07
LogP ≤ 516.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-dibenzofuran-1-yl-N-spiro[fluorene-9,9'-xanthene]-3-ylspiro[fluorene-9,9'-xanthene]-2-amine
CID 138476859
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-dibenzothiophen-2-yl-N-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-2'-yl)dibenzofuran-2-amine
CID 163652161
N-dibenzofuran-2-yl-N-(9,9-dimethylfluoren-2-yl)spiro[fluorene-9,9'-xanthene]-2-amine;bis(N-dibenzofuran-3-yl-N-(9,9-dimethylfluoren-2-yl)spiro[fluorene-9,9'-xanthene]-2-amine);N-dibenzothiophen-2-yl-N-(9,9-dimethylfluoren-2-yl)spiro[fluorene-9,9'-xanthene]-2-amine
CID 161266358
N-dibenzofuran-1-yl-N-(9,9-dimethylfluoren-2-yl)spiro[fluorene-9,9'-xanthene]-2-amine
CID 176763170
N-dibenzofuran-1-yl-4'-phenyl-N-spiro[fluorene-9,9'-xanthene]-4'-ylspiro[fluorene-9,9'-xanthene]-2'-amine
CID 168799178
N-(4-heptacyclo[11.10.1.11,8.02,7.017,24.018,23.012,25]pentacosa-2(7),3,5,8,10,12(25),13,15,17(24),18,20,22-dodecaenyl)-N-naphthalen-1-yldibenzofuran-1-amine;N-(4-heptacyclo[11.10.1.11,8.02,7.017,24.018,23.012,25]pentacosa-2(7),3,5,8,10,12(25),13,15,17(24),18,20,22-dodecaenyl)-N-naphthalen-1-yldibenzofuran-4-amine;N-(4-heptacyclo[11.10.1.11,8.02,7.017,24.018,23.012,25]pentacosa-2(7),3,5,8,10,12(25),13,15,17(24),18,20,22-dodecaenyl)-N-naphthalen-1-yldibenzothiophen-2-amine;N-(4-heptacyclo[11.10.1.11,8.02,7.017,24.018,23.012,25]pentacosa-2(7),3,5,8,10,12(25),13,15,17(24),18,20,22-dodecaenyl)-N-naphthalen-1-yldibenzothiophen-3-amine
CID 161075532
N-dibenzofuran-2-yl-N-phenylspiro[fluoreno[2,3-b][1]benzothiole-7,9'-xanthene]-1-amine
CID 162771338
N-dibenzofuran-1-yl-N-(9,9'-spirobi[fluorene]-2-yl)dibenzofuran-1-amine
CID 138716831
N-dibenzofuran-1-yl-N-spiro[fluorene-9,9'-thioxanthene]-2-ylspiro[fluorene-9,9'-xanthene]-3-amine
CID 138476111
N-dibenzofuran-1-yl-N-spiro[fluorene-9,9'-xanthene]-4-ylspiro[fluorene-9,9'-xanthene]-2-amine
CID 138476554
N-phenyl-N-spiro[adamantane-2,9'-fluorene]-1'-yldibenzofuran-2-amine;N-phenyl-N-spiro[adamantane-2,9'-fluorene]-1'-yldibenzofuran-3-amine;N-phenyl-N-spiro[adamantane-2,9'-fluorene]-1'-yldibenzothiophen-2-amine;N-phenyl-N-spiro[adamantane-2,9'-fluorene]-1'-yldibenzothiophen-3-amine
CID 163870746

Frequently Asked Questions

What is the IUPAC name of 4'-(1-adamantyl)-N-dibenzofuran-1-yl-N-dibenzothiophen-2-ylspiro[fluorene-9,9'-xanthene]-2'-amine?
The IUPAC name of 4'-(1-adamantyl)-N-dibenzofuran-1-yl-N-dibenzothiophen-2-ylspiro[fluorene-9,9'-xanthene]-2'-amine (CID 168799019) is 4'-(1-adamantyl)-N-dibenzofuran-1-yl-N-dibenzothiophen-2-ylspiro[fluorene-9,9'-xanthene]-2'-amine.
What is the SMILES notation for 4'-(1-adamantyl)-N-dibenzofuran-1-yl-N-dibenzothiophen-2-ylspiro[fluorene-9,9'-xanthene]-2'-amine?
The canonical SMILES for 4'-(1-adamantyl)-N-dibenzofuran-1-yl-N-dibenzothiophen-2-ylspiro[fluorene-9,9'-xanthene]-2'-amine is c1ccc2c(c1)Oc1c(C34CC5CC(CC(C5)C3)C4)cc(N(c3ccc4sc5ccccc5c4c3)c3cccc4oc5ccccc5c34)cc1C21c2ccccc2-c2ccccc21.
What is the InChIKey of 4'-(1-adamantyl)-N-dibenzofuran-1-yl-N-dibenzothiophen-2-ylspiro[fluorene-9,9'-xanthene]-2'-amine?
The InChIKey is SVTRTLTYMSFNBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C59H43NO2S/c1-5-16-45-40(12-1)41-13-2-6-17-46(41)59(45)47-18-7-9-21-52(47)62-57-48(58-32-35-26-36(33-58)28-37(27-35)34-58)30-39(31-49(57)59)60(38-24-25-55-44(29-38)42-14-4-10-23-54(42)63-55)50-19-11-22-53-56(50)43-15-3-8-20-51(43)61-53/h1-25,29-31,35-37H,26-28,32-34H2.
What are the key properties of 4'-(1-adamantyl)-N-dibenzofuran-1-yl-N-dibenzothiophen-2-ylspiro[fluorene-9,9'-xanthene]-2'-amine?
4'-(1-adamantyl)-N-dibenzofuran-1-yl-N-dibenzothiophen-2-ylspiro[fluorene-9,9'-xanthene]-2'-amine has a molecular weight of 830.07 g/mol, XLogP of 16.36, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4'-(1-adamantyl)-N-dibenzofuran-1-yl-N-dibenzothiophen-2-ylspiro[fluorene-9,9'-xanthene]-2'-amine is sourced from PubChem (CID 168799019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).