N-dibenzothiophen-2-yl-N-spiro[3,4-dihydroxanthene-9,9'-fluorene]-2'-ylspiro[fluorene-9,9'-xanthene]-2-amine

C62H39NO2S — CID 167095129

IUPACN-dibenzothiophen-2-yl-N-spiro[3,4-dihydroxanthene-9,9'-fluorene]-2'-ylspiro[fluorene-9,9'-xanthene]-2-amine
SMILESC1=CC2=C(CC1)Oc1ccccc1C21c2ccccc2-c2ccc(N(c3ccc4c(c3)C3(c5ccccc5Oc5ccccc53)c3ccccc3-4)c3ccc4sc5ccccc5c4c3)cc21
InChIInChI=1S/C62H39NO2S/c1-4-18-47-41(15-1)43-32-29-39(36-53(43)61(47)49-20-6-10-24-55(49)64-56-25-11-7-21-50(56)61)63(38-31-34-60-46(35-38)45-17-3-14-28-59(45)66-60)40-30-33-44-42-16-2-5-19-48(42)62(54(44)37-40)51-22-8-12-26-57(51)65-58-27-13-9-23-52(58)62/h1-12,14-26,28-37H,13,27H2
InChIKeyIBDXKYUBVYSDSQ-UHFFFAOYSA-N
MW862.07 g/mol
LogP16.30
Rot. Bonds3

About N-dibenzothiophen-2-yl-N-spiro[3,4-dihydroxanthene-9,9'-fluorene]-2'-ylspiro[fluorene-9,9'-xanthene]-2-amine

N-dibenzothiophen-2-yl-N-spiro[3,4-dihydroxanthene-9,9'-fluorene]-2'-ylspiro[fluorene-9,9'-xanthene]-2-amine (PubChem CID 167095129) has the molecular formula C62H39NO2S and a molecular weight of 862.07 g/mol. Its IUPAC name is N-dibenzothiophen-2-yl-N-spiro[3,4-dihydroxanthene-9,9'-fluorene]-2'-ylspiro[fluorene-9,9'-xanthene]-2-amine.

Molecular Properties

Compound NameN-dibenzothiophen-2-yl-N-spiro[3,4-dihydroxanthene-9,9'-fluorene]-2'-ylspiro[fluorene-9,9'-xanthene]-2-amine
PubChem CID167095129
Molecular FormulaC62H39NO2S
Molecular Weight862.07 g/mol
Exact Mass861.27
IUPAC NameN-dibenzothiophen-2-yl-N-spiro[3,4-dihydroxanthene-9,9'-fluorene]-2'-ylspiro[fluorene-9,9'-xanthene]-2-amine
SMILESC1=CC2=C(CC1)Oc1ccccc1C21c2ccccc2-c2ccc(N(c3ccc4c(c3)C3(c5ccccc5Oc5ccccc53)c3ccccc3-4)c3ccc4sc5ccccc5c4c3)cc21
InChIInChI=1S/C62H39NO2S/c1-4-18-47-41(15-1)43-32-29-39(36-53(43)61(47)49-20-6-10-24-55(49)64-56-25-11-7-21-50(56)61)63(38-31-34-60-46(35-38)45-17-3-14-28-59(45)66-60)40-30-33-44-42-16-2-5-19-48(42)62(54(44)37-40)51-22-8-12-26-57(51)65-58-27-13-9-23-52(58)62/h1-12,14-26,28-37H,13,27H2
InChIKeyIBDXKYUBVYSDSQ-UHFFFAOYSA-N
XLogP16.30
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms66
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500862.07
LogP ≤ 516.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N,N-bis(9,9'-spirobi[fluorene]-2-yl)dibenzothiophen-2-amine
CID 118298519
N-dibenzothiophen-3-yl-N-(9,9-dimethylfluoren-2-yl)spiro[fluorene-9,9'-xanthene]-2-amine
CID 90154222
N-dibenzothiophen-2-yl-N-(4-phenylphenyl)spiro[benzo[b]fluorene-11,9'-xanthene]-2-amine
CID 171766773
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-(4-dibenzothiophen-2-ylphenyl)-N-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]-9,9'-spirobi[fluorene]-2-amine
CID 139404238
N-dibenzothiophen-2-yl-N-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-2'-yl)dibenzofuran-2-amine
CID 163652161
N-phenyl-N-spiro[fluoreno[2,3-b][1]benzothiole-7,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene]-11'-yl-14-oxatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2(7),3,5,8,10,12,15,17-nonaen-4-amine
CID 130463393
4-N-dibenzothiophen-2-yl-4-N-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-2'-yl)-1-N,1-N-diphenylbenzene-1,4-diamine
CID 138667358
N-(4-dibenzothiophen-1-ylphenyl)-N-(3-spiro[fluorene-9,9'-xanthene]-2-ylphenyl)spiro[fluorene-9,9'-xanthene]-2-amine
CID 138477752
N-(9,9-diphenylfluoren-2-yl)-N-phenyldibenzothiophen-2-amine
CID 118298288
N-(9,9-diphenylfluoren-2-yl)-N-[4-(9-phenylfluoren-9-yl)phenyl]dibenzothiophen-2-amine
CID 121381480
N-(9',9'-dimethylspiro[7,8-dihydrofluorene-9,10'-anthracene]-2-yl)-N-(4-phenylphenyl)dibenzothiophen-2-amine
CID 142480985

Frequently Asked Questions

What is the IUPAC name of N-dibenzothiophen-2-yl-N-spiro[3,4-dihydroxanthene-9,9'-fluorene]-2'-ylspiro[fluorene-9,9'-xanthene]-2-amine?
The IUPAC name of N-dibenzothiophen-2-yl-N-spiro[3,4-dihydroxanthene-9,9'-fluorene]-2'-ylspiro[fluorene-9,9'-xanthene]-2-amine (CID 167095129) is N-dibenzothiophen-2-yl-N-spiro[3,4-dihydroxanthene-9,9'-fluorene]-2'-ylspiro[fluorene-9,9'-xanthene]-2-amine.
What is the SMILES notation for N-dibenzothiophen-2-yl-N-spiro[3,4-dihydroxanthene-9,9'-fluorene]-2'-ylspiro[fluorene-9,9'-xanthene]-2-amine?
The canonical SMILES for N-dibenzothiophen-2-yl-N-spiro[3,4-dihydroxanthene-9,9'-fluorene]-2'-ylspiro[fluorene-9,9'-xanthene]-2-amine is C1=CC2=C(CC1)Oc1ccccc1C21c2ccccc2-c2ccc(N(c3ccc4c(c3)C3(c5ccccc5Oc5ccccc53)c3ccccc3-4)c3ccc4sc5ccccc5c4c3)cc21.
What is the InChIKey of N-dibenzothiophen-2-yl-N-spiro[3,4-dihydroxanthene-9,9'-fluorene]-2'-ylspiro[fluorene-9,9'-xanthene]-2-amine?
The InChIKey is IBDXKYUBVYSDSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C62H39NO2S/c1-4-18-47-41(15-1)43-32-29-39(36-53(43)61(47)49-20-6-10-24-55(49)64-56-25-11-7-21-50(56)61)63(38-31-34-60-46(35-38)45-17-3-14-28-59(45)66-60)40-30-33-44-42-16-2-5-19-48(42)62(54(44)37-40)51-22-8-12-26-57(51)65-58-27-13-9-23-52(58)62/h1-12,14-26,28-37H,13,27H2.
What are the key properties of N-dibenzothiophen-2-yl-N-spiro[3,4-dihydroxanthene-9,9'-fluorene]-2'-ylspiro[fluorene-9,9'-xanthene]-2-amine?
N-dibenzothiophen-2-yl-N-spiro[3,4-dihydroxanthene-9,9'-fluorene]-2'-ylspiro[fluorene-9,9'-xanthene]-2-amine has a molecular weight of 862.07 g/mol, XLogP of 16.30, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-dibenzothiophen-2-yl-N-spiro[3,4-dihydroxanthene-9,9'-fluorene]-2'-ylspiro[fluorene-9,9'-xanthene]-2-amine is sourced from PubChem (CID 167095129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).