N-dibenzothiophen-1-yl-N-spiro[4b,8a-dihydrofluorene-9,9'-xanthene]-3-ylspiro[fluorene-9,9'-xanthene]-2-amine

C62H39NO2S — CID 167095058

IUPACN-dibenzothiophen-1-yl-N-spiro[4b,8a-dihydrofluorene-9,9'-xanthene]-3-ylspiro[fluorene-9,9'-xanthene]-2-amine
SMILESC1=CC2c3cc(N(c4ccc5c(c4)C4(c6ccccc6Oc6ccccc64)c4ccccc4-5)c4cccc5sc6ccccc6c45)ccc3C3(c4ccccc4Oc4ccccc43)C2C=C1
InChIInChI=1S/C62H39NO2S/c1-4-19-45-40(16-1)42-34-32-39(37-52(42)62(45)50-23-8-12-28-56(50)65-57-29-13-9-24-51(57)62)63(53-25-15-31-59-60(53)43-18-3-14-30-58(43)66-59)38-33-35-47-44(36-38)41-17-2-5-20-46(41)61(47)48-21-6-10-26-54(48)64-55-27-11-7-22-49(55)61/h1-37,41,46H
InChIKeyHLFQUDPNNCERGI-UHFFFAOYSA-N
MW862.07 g/mol
LogP16.27
Rot. Bonds3

About N-dibenzothiophen-1-yl-N-spiro[4b,8a-dihydrofluorene-9,9'-xanthene]-3-ylspiro[fluorene-9,9'-xanthene]-2-amine

N-dibenzothiophen-1-yl-N-spiro[4b,8a-dihydrofluorene-9,9'-xanthene]-3-ylspiro[fluorene-9,9'-xanthene]-2-amine (PubChem CID 167095058) has the molecular formula C62H39NO2S and a molecular weight of 862.07 g/mol. Its IUPAC name is N-dibenzothiophen-1-yl-N-spiro[4b,8a-dihydrofluorene-9,9'-xanthene]-3-ylspiro[fluorene-9,9'-xanthene]-2-amine.

Molecular Properties

Compound NameN-dibenzothiophen-1-yl-N-spiro[4b,8a-dihydrofluorene-9,9'-xanthene]-3-ylspiro[fluorene-9,9'-xanthene]-2-amine
PubChem CID167095058
Molecular FormulaC62H39NO2S
Molecular Weight862.07 g/mol
Exact Mass861.27
IUPAC NameN-dibenzothiophen-1-yl-N-spiro[4b,8a-dihydrofluorene-9,9'-xanthene]-3-ylspiro[fluorene-9,9'-xanthene]-2-amine
SMILESC1=CC2c3cc(N(c4ccc5c(c4)C4(c6ccccc6Oc6ccccc64)c4ccccc4-5)c4cccc5sc6ccccc6c45)ccc3C3(c4ccccc4Oc4ccccc43)C2C=C1
InChIInChI=1S/C62H39NO2S/c1-4-19-45-40(16-1)42-34-32-39(37-52(42)62(45)50-23-8-12-28-56(50)65-57-29-13-9-24-51(57)62)63(53-25-15-31-59-60(53)43-18-3-14-30-58(43)66-59)38-33-35-47-44(36-38)41-17-2-5-20-46(41)61(47)48-21-6-10-26-54(48)64-55-27-11-7-22-49(55)61/h1-37,41,46H
InChIKeyHLFQUDPNNCERGI-UHFFFAOYSA-N
XLogP16.27
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 ≤ 516.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-dibenzothiophen-1-yl-N-(9,9-dimethylfluoren-2-yl)spiro[fluoreno[2,3-b][1]benzothiole-7,9'-xanthene]-1-amine
CID 162771384
N-dibenzothiophen-1-yl-N-spiro[fluorene-9,9'-xanthene]-1'-ylspiro[fluorene-9,9'-xanthene]-2'-amine;N-dibenzothiophen-1-yl-N-spiro[fluorene-9,9'-xanthene]-2'-ylspiro[fluorene-9,9'-xanthene]-2'-amine;N-dibenzothiophen-1-yl-N-spiro[fluorene-9,9'-xanthene]-2'-ylspiro[fluorene-9,9'-xanthene]-3'-amine
CID 158190990
N-(3-phenylphenyl)-N-(4-spiro[fluorene-9,9'-xanthene]-3'-ylphenyl)dibenzothiophen-1-amine
CID 167177336
N-(9,9'-spirobi[fluorene]-1-yl)-N-(9,9'-spirobi[fluorene]-2-yl)dibenzothiophen-1-amine
CID 135271149
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-(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-phenyldibenzothiophen-1-amine
CID 156664835
2',7'-ditert-butyl-N-dibenzothiophen-1-yl-N-(2,7-ditert-butylspiro[fluorene-9,9'-xanthene]-2'-yl)spiro[fluorene-9,9'-xanthene]-4-amine
CID 174286860
2',7'-ditert-butyl-N-dibenzothiophen-1-yl-N-(9,9-dimethylfluoren-2-yl)spiro[fluorene-9,9'-xanthene]-2-amine
CID 174286114
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-dibenzothiophen-4-yl-N-spiro[fluorene-9,9'-thioxanthene]-2-ylspiro[fluorene-9,9'-xanthene]-2-amine
CID 138476738
N-(4-dibenzothiophen-1-ylphenyl)-N-(3-spiro[fluorene-9,9'-xanthene]-2-ylphenyl)spiro[fluorene-9,9'-xanthene]-2-amine
CID 138477752
N-dibenzothiophen-3-yl-N-naphthalen-1-ylspiro[benzo[a]phenalene-7,9'-xanthene]-9-amine
CID 164794694

Frequently Asked Questions

What is the IUPAC name of N-dibenzothiophen-1-yl-N-spiro[4b,8a-dihydrofluorene-9,9'-xanthene]-3-ylspiro[fluorene-9,9'-xanthene]-2-amine?
The IUPAC name of N-dibenzothiophen-1-yl-N-spiro[4b,8a-dihydrofluorene-9,9'-xanthene]-3-ylspiro[fluorene-9,9'-xanthene]-2-amine (CID 167095058) is N-dibenzothiophen-1-yl-N-spiro[4b,8a-dihydrofluorene-9,9'-xanthene]-3-ylspiro[fluorene-9,9'-xanthene]-2-amine.
What is the SMILES notation for N-dibenzothiophen-1-yl-N-spiro[4b,8a-dihydrofluorene-9,9'-xanthene]-3-ylspiro[fluorene-9,9'-xanthene]-2-amine?
The canonical SMILES for N-dibenzothiophen-1-yl-N-spiro[4b,8a-dihydrofluorene-9,9'-xanthene]-3-ylspiro[fluorene-9,9'-xanthene]-2-amine is C1=CC2c3cc(N(c4ccc5c(c4)C4(c6ccccc6Oc6ccccc64)c4ccccc4-5)c4cccc5sc6ccccc6c45)ccc3C3(c4ccccc4Oc4ccccc43)C2C=C1.
What is the InChIKey of N-dibenzothiophen-1-yl-N-spiro[4b,8a-dihydrofluorene-9,9'-xanthene]-3-ylspiro[fluorene-9,9'-xanthene]-2-amine?
The InChIKey is HLFQUDPNNCERGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C62H39NO2S/c1-4-19-45-40(16-1)42-34-32-39(37-52(42)62(45)50-23-8-12-28-56(50)65-57-29-13-9-24-51(57)62)63(53-25-15-31-59-60(53)43-18-3-14-30-58(43)66-59)38-33-35-47-44(36-38)41-17-2-5-20-46(41)61(47)48-21-6-10-26-54(48)64-55-27-11-7-22-49(55)61/h1-37,41,46H.
What are the key properties of N-dibenzothiophen-1-yl-N-spiro[4b,8a-dihydrofluorene-9,9'-xanthene]-3-ylspiro[fluorene-9,9'-xanthene]-2-amine?
N-dibenzothiophen-1-yl-N-spiro[4b,8a-dihydrofluorene-9,9'-xanthene]-3-ylspiro[fluorene-9,9'-xanthene]-2-amine has a molecular weight of 862.07 g/mol, XLogP of 16.27, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-dibenzothiophen-1-yl-N-spiro[4b,8a-dihydrofluorene-9,9'-xanthene]-3-ylspiro[fluorene-9,9'-xanthene]-2-amine is sourced from PubChem (CID 167095058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).