N-dibenzothiophen-4-yl-N-(4-spiro[benzo[c]fluorene-7,9'-thioxanthene]-11-ylphenyl)dibenzofuran-3-amine;N-(2-phenylphenyl)-N-spiro[benzo[c]fluorene-7,9'-thioxanthene]-11-yldibenzofuran-4-amine;N-(4-phenylphenyl)-N-spiro[benzo[c]fluorene-7,9'-thioxanthene]-11-yldibenzofuran-2-amine

C165H101N3O3S4 — CID 164995179

IUPACN-dibenzothiophen-4-yl-N-(4-spiro[benzo[c]fluorene-7,9'-thioxanthene]-11-ylphenyl)dibenzofuran-3-amine;N-(2-phenylphenyl)-N-spiro[benzo[c]fluorene-7,9'-thioxanthene]-11-yldibenzofuran-4-amine;N-(4-phenylphenyl)-N-spiro[benzo[c]fluorene-7,9'-thioxanthene]-11-yldibenzofuran-2-amine
SMILESc1ccc(-c2ccc(N(c3ccc4oc5ccccc5c4c3)c3cccc4c3-c3c(ccc5ccccc35)C43c4ccccc4Sc4ccccc43)cc2)cc1.c1ccc(-c2ccccc2N(c2cccc3c2-c2c(ccc4ccccc24)C32c3ccccc3Sc3ccccc32)c2cccc3c2oc2ccccc23)cc1.c1ccc2c(c1)Sc1ccccc1C21c2cccc(-c3ccc(N(c4ccc5c(c4)oc4ccccc45)c4cccc5c4sc4ccccc45)cc3)c2-c2c1ccc1ccccc21
InChIInChI=1S/C59H35NOS2.2C53H33NOS/c1-2-14-40-36(13-1)29-34-49-57(40)56-41(17-11-21-48(56)59(49)46-19-5-9-25-54(46)62-55-26-10-6-20-47(55)59)37-27-30-38(31-28-37)60(39-32-33-43-42-15-3-7-23-51(42)61-52(43)35-39)50-22-12-18-45-44-16-4-8-24-53(44)63-58(45)50;1-2-16-34(17-3-1)36-19-6-10-26-44(36)54(46-28-14-22-39-38-21-7-11-29-47(38)55-52(39)46)45-27-15-25-42-51(45)50-37-20-5-4-18-35(37)32-33-43(50)53(42)40-23-8-12-30-48(40)56-49-31-13-9-24-41(49)53;1-2-13-34(14-3-1)35-25-28-37(29-26-35)54(38-30-32-48-41(33-38)40-17-6-9-22-47(40)55-48)46-21-12-20-44-52(46)51-39-16-5-4-15-36(39)27-31-45(51)53(44)42-18-7-10-23-49(42)56-50-24-11-8-19-43(50)53/h1-35H;2*1-33H
InChIKeyHLJSDWOITJGHRV-UHFFFAOYSA-N
MW2301.91 g/mol
LogP46.48
Rot. Bonds12

About N-dibenzothiophen-4-yl-N-(4-spiro[benzo[c]fluorene-7,9'-thioxanthene]-11-ylphenyl)dibenzofuran-3-amine;N-(2-phenylphenyl)-N-spiro[benzo[c]fluorene-7,9'-thioxanthene]-11-yldibenzofuran-4-amine;N-(4-phenylphenyl)-N-spiro[benzo[c]fluorene-7,9'-thioxanthene]-11-yldibenzofuran-2-amine

N-dibenzothiophen-4-yl-N-(4-spiro[benzo[c]fluorene-7,9'-thioxanthene]-11-ylphenyl)dibenzofuran-3-amine;N-(2-phenylphenyl)-N-spiro[benzo[c]fluorene-7,9'-thioxanthene]-11-yldibenzofuran-4-amine;N-(4-phenylphenyl)-N-spiro[benzo[c]fluorene-7,9'-thioxanthene]-11-yldibenzofuran-2-amine (PubChem CID 164995179) has the molecular formula C165H101N3O3S4 and a molecular weight of 2301.91 g/mol. Its IUPAC name is N-dibenzothiophen-4-yl-N-(4-spiro[benzo[c]fluorene-7,9'-thioxanthene]-11-ylphenyl)dibenzofuran-3-amine;N-(2-phenylphenyl)-N-spiro[benzo[c]fluorene-7,9'-thioxanthene]-11-yldibenzofuran-4-amine;N-(4-phenylphenyl)-N-spiro[benzo[c]fluorene-7,9'-thioxanthene]-11-yldibenzofuran-2-amine.

Molecular Properties

Compound NameN-dibenzothiophen-4-yl-N-(4-spiro[benzo[c]fluorene-7,9'-thioxanthene]-11-ylphenyl)dibenzofuran-3-amine;N-(2-phenylphenyl)-N-spiro[benzo[c]fluorene-7,9'-thioxanthene]-11-yldibenzofuran-4-amine;N-(4-phenylphenyl)-N-spiro[benzo[c]fluorene-7,9'-thioxanthene]-11-yldibenzofuran-2-amine
PubChem CID164995179
Molecular FormulaC165H101N3O3S4
Molecular Weight2301.91 g/mol
Exact Mass2299.67
IUPAC NameN-dibenzothiophen-4-yl-N-(4-spiro[benzo[c]fluorene-7,9'-thioxanthene]-11-ylphenyl)dibenzofuran-3-amine;N-(2-phenylphenyl)-N-spiro[benzo[c]fluorene-7,9'-thioxanthene]-11-yldibenzofuran-4-amine;N-(4-phenylphenyl)-N-spiro[benzo[c]fluorene-7,9'-thioxanthene]-11-yldibenzofuran-2-amine
SMILESc1ccc(-c2ccc(N(c3ccc4oc5ccccc5c4c3)c3cccc4c3-c3c(ccc5ccccc35)C43c4ccccc4Sc4ccccc43)cc2)cc1.c1ccc(-c2ccccc2N(c2cccc3c2-c2c(ccc4ccccc24)C32c3ccccc3Sc3ccccc32)c2cccc3c2oc2ccccc23)cc1.c1ccc2c(c1)Sc1ccccc1C21c2cccc(-c3ccc(N(c4ccc5c(c4)oc4ccccc45)c4cccc5c4sc4ccccc45)cc3)c2-c2c1ccc1ccccc21
InChIInChI=1S/C59H35NOS2.2C53H33NOS/c1-2-14-40-36(13-1)29-34-49-57(40)56-41(17-11-21-48(56)59(49)46-19-5-9-25-54(46)62-55-26-10-6-20-47(55)59)37-27-30-38(31-28-37)60(39-32-33-43-42-15-3-7-23-51(42)61-52(43)35-39)50-22-12-18-45-44-16-4-8-24-53(44)63-58(45)50;1-2-16-34(17-3-1)36-19-6-10-26-44(36)54(46-28-14-22-39-38-21-7-11-29-47(38)55-52(39)46)45-27-15-25-42-51(45)50-37-20-5-4-18-35(37)32-33-43(50)53(42)40-23-8-12-30-48(40)56-49-31-13-9-24-41(49)53;1-2-13-34(14-3-1)35-25-28-37(29-26-35)54(38-30-32-48-41(33-38)40-17-6-9-22-47(40)55-48)46-21-12-20-44-52(46)51-39-16-5-4-15-36(39)27-31-45(51)53(44)42-18-7-10-23-49(42)56-50-24-11-8-19-43(50)53/h1-35H;2*1-33H
InChIKeyHLJSDWOITJGHRV-UHFFFAOYSA-N
XLogP46.48
TPSA49.14 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds12
Heavy Atoms175
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002301.91
LogP ≤ 546.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Analyze N-dibenzothiophen-4-yl-N-(4-spiro[benzo[c]fluorene-7,9'-thioxanthene]-11-ylphenyl)dibenzofuran-3-amine;N-(2-phenylphenyl)-N-spiro[benzo[c]fluorene-7,9'-thioxanthene]-11-yldibenzofuran-4-amine;N-(4-phenylphenyl)-N-spiro[benzo[c]fluorene-7,9'-thioxanthene]-11-yldibenzofuran-2-amine with MolForge

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Related Compounds

N-dibenzothiophen-2-yl-N-spiro[benzo[g]fluorene-7,9'-thioxanthene]-9-yldibenzofuran-2-amine;N-dibenzothiophen-3-yl-N-spiro[benzo[g]fluorene-7,9'-thioxanthene]-9-yldibenzofuran-3-amine;N-dibenzothiophen-4-yl-N-spiro[benzo[g]fluorene-7,9'-thioxanthene]-9-yldibenzofuran-4-amine;N-phenyl-N-(4-phenylphenyl)spiro[benzo[b]fluorene-11,9'-thioxanthene]-2-amine
CID 164992700
N-dibenzothiophen-4-yl-N-[4-(1-phenylnaphthalen-2-yl)phenyl]dibenzofuran-2-amine;N-dibenzothiophen-4-yl-N-[4-(1-phenylnaphthalen-2-yl)phenyl]dibenzofuran-3-amine;N-dibenzothiophen-4-yl-N-[4-(1-phenylnaphthalen-2-yl)phenyl]dibenzofuran-4-amine;N-dibenzothiophen-4-yl-N-[4-[1-(4-phenylphenyl)naphthalen-2-yl]phenyl]dibenzofuran-1-amine
CID 160979130
N-dibenzofuran-3-yl-N-[4-(8-phenylnaphthalen-1-yl)phenyl]dibenzofuran-3-amine;N-dibenzothiophen-3-yl-N-[4-(8-phenylnaphthalen-1-yl)phenyl]dibenzofuran-4-amine;N-(4-naphthalen-1-ylphenyl)-N-[4-(8-phenylnaphthalen-1-yl)phenyl]dibenzofuran-4-amine;N-(4-naphthalen-1-ylphenyl)-N-[4-(8-phenylnaphthalen-1-yl)phenyl]dibenzothiophen-4-amine;N-[4-(8-phenylnaphthalen-1-yl)phenyl]-N-(2-phenylphenyl)dibenzothiophen-3-amine
CID 158642581
N-(1-dibenzothiophen-4-ylnaphthalen-2-yl)-N-[4-(4-phenylphenyl)phenyl]dibenzofuran-2-amine
CID 156522448
N-dibenzothiophen-3-yl-N-spiro[fluorene-9,9'-thioxanthene]-4-ylspiro[fluorene-9,9'-thioxanthene]-3-amine;N-dibenzothiophen-4-yl-N-spiro[fluorene-9,9'-thioxanthene]-4-ylspiro[fluorene-9,9'-thioxanthene]-3-amine;N-spiro[fluorene-9,9'-thioxanthene]-3-yl-N-spiro[fluorene-9,9'-thioxanthene]-4-yldibenzofuran-3-amine
CID 160729748
N,N-di(dibenzothiophen-4-yl)-9-oxa-20-thiapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14,16,18-nonaen-4-amine;N-(4-naphthalen-1-ylphenyl)-N-naphtho[1,2-b][1]benzofuran-9-yl-9-oxa-20-thiapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14,16,18-nonaen-4-amine;N-naphtho[1,2-b][1]benzofuran-7-yl-N-(4-phenylphenyl)-9-oxa-20-thiapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14,16,18-nonaen-4-amine;N-naphtho[1,2-b][1]benzofuran-10-yl-N-(4-phenylphenyl)-9-oxa-20-thiapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14,16,18-nonaen-4-amine
CID 165024092
N-(4-dibenzofuran-4-ylphenyl)-N-[4-(9-phenylfluoren-9-yl)phenyl]dibenzofuran-2-amine;N-(4-dibenzofuran-4-ylphenyl)-N-[4-(9-phenylfluoren-9-yl)phenyl]dibenzofuran-4-amine;N-(4-dibenzofuran-4-ylphenyl)-N-[4-(9-phenylfluoren-9-yl)phenyl]dibenzothiophen-4-amine
CID 158701835
N-dibenzofuran-1-yl-N-dibenzofuran-3-yl-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14(19),15,17-nonaen-18-amine;N,N-di(dibenzothiophen-4-yl)-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14(19),15,17-nonaen-18-amine;N-(4-naphthalen-1-ylphenyl)-N-naphtho[2,1-b][1]benzofuran-9-yl-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14(19),15,17-nonaen-18-amine;N-naphtho[1,2-b][1]benzofuran-10-yl-N-(4-phenylphenyl)-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14(19),15,17-nonaen-18-amine
CID 164998655
N-dibenzothiophen-4-yl-6-phenyl-N-(4-phenylphenyl)naphtho[2,3-b][1]benzofuran-2-amine
CID 165062465
N-dibenzofuran-3-yl-N-[4-[3-(9-phenylfluoren-9-yl)phenyl]phenyl]dibenzofuran-3-amine;N-phenyl-N-[4-[3-(9-phenylfluoren-9-yl)phenyl]phenyl]dibenzofuran-4-amine;N-phenyl-N-[4-[3-(9-phenylfluoren-9-yl)phenyl]phenyl]dibenzothiophen-4-amine
CID 159394304
N-dibenzofuran-1-yl-N-dibenzofuran-3-yl-9-oxa-20-thiapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14(19),15,17-nonaen-18-amine;N,N-di(dibenzothiophen-4-yl)-9-oxa-20-thiapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14(19),15,17-nonaen-18-amine;N-(4-naphthalen-1-ylphenyl)-N-naphtho[2,1-b][1]benzofuran-9-yl-9-oxa-20-thiapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14(19),15,17-nonaen-18-amine;N-naphtho[1,2-b][1]benzofuran-10-yl-N-(4-phenylphenyl)-9-oxa-20-thiapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14(19),15,17-nonaen-18-amine
CID 164959601
N-(4-phenylphenyl)-N-spiro[benzo[g]fluorene-7,9'-thioxanthene]-9-yldibenzofuran-3-amine
CID 156563659

Frequently Asked Questions

What is the IUPAC name of N-dibenzothiophen-4-yl-N-(4-spiro[benzo[c]fluorene-7,9'-thioxanthene]-11-ylphenyl)dibenzofuran-3-amine;N-(2-phenylphenyl)-N-spiro[benzo[c]fluorene-7,9'-thioxanthene]-11-yldibenzofuran-4-amine;N-(4-phenylphenyl)-N-spiro[benzo[c]fluorene-7,9'-thioxanthene]-11-yldibenzofuran-2-amine?
The IUPAC name of N-dibenzothiophen-4-yl-N-(4-spiro[benzo[c]fluorene-7,9'-thioxanthene]-11-ylphenyl)dibenzofuran-3-amine;N-(2-phenylphenyl)-N-spiro[benzo[c]fluorene-7,9'-thioxanthene]-11-yldibenzofuran-4-amine;N-(4-phenylphenyl)-N-spiro[benzo[c]fluorene-7,9'-thioxanthene]-11-yldibenzofuran-2-amine (CID 164995179) is N-dibenzothiophen-4-yl-N-(4-spiro[benzo[c]fluorene-7,9'-thioxanthene]-11-ylphenyl)dibenzofuran-3-amine;N-(2-phenylphenyl)-N-spiro[benzo[c]fluorene-7,9'-thioxanthene]-11-yldibenzofuran-4-amine;N-(4-phenylphenyl)-N-spiro[benzo[c]fluorene-7,9'-thioxanthene]-11-yldibenzofuran-2-amine.
What is the SMILES notation for N-dibenzothiophen-4-yl-N-(4-spiro[benzo[c]fluorene-7,9'-thioxanthene]-11-ylphenyl)dibenzofuran-3-amine;N-(2-phenylphenyl)-N-spiro[benzo[c]fluorene-7,9'-thioxanthene]-11-yldibenzofuran-4-amine;N-(4-phenylphenyl)-N-spiro[benzo[c]fluorene-7,9'-thioxanthene]-11-yldibenzofuran-2-amine?
The canonical SMILES for N-dibenzothiophen-4-yl-N-(4-spiro[benzo[c]fluorene-7,9'-thioxanthene]-11-ylphenyl)dibenzofuran-3-amine;N-(2-phenylphenyl)-N-spiro[benzo[c]fluorene-7,9'-thioxanthene]-11-yldibenzofuran-4-amine;N-(4-phenylphenyl)-N-spiro[benzo[c]fluorene-7,9'-thioxanthene]-11-yldibenzofuran-2-amine is c1ccc(-c2ccc(N(c3ccc4oc5ccccc5c4c3)c3cccc4c3-c3c(ccc5ccccc35)C43c4ccccc4Sc4ccccc43)cc2)cc1.c1ccc(-c2ccccc2N(c2cccc3c2-c2c(ccc4ccccc24)C32c3ccccc3Sc3ccccc32)c2cccc3c2oc2ccccc23)cc1.c1ccc2c(c1)Sc1ccccc1C21c2cccc(-c3ccc(N(c4ccc5c(c4)oc4ccccc45)c4cccc5c4sc4ccccc45)cc3)c2-c2c1ccc1ccccc21.
What is the InChIKey of N-dibenzothiophen-4-yl-N-(4-spiro[benzo[c]fluorene-7,9'-thioxanthene]-11-ylphenyl)dibenzofuran-3-amine;N-(2-phenylphenyl)-N-spiro[benzo[c]fluorene-7,9'-thioxanthene]-11-yldibenzofuran-4-amine;N-(4-phenylphenyl)-N-spiro[benzo[c]fluorene-7,9'-thioxanthene]-11-yldibenzofuran-2-amine?
The InChIKey is HLJSDWOITJGHRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C59H35NOS2.2C53H33NOS/c1-2-14-40-36(13-1)29-34-49-57(40)56-41(17-11-21-48(56)59(49)46-19-5-9-25-54(46)62-55-26-10-6-20-47(55)59)37-27-30-38(31-28-37)60(39-32-33-43-42-15-3-7-23-51(42)61-52(43)35-39)50-22-12-18-45-44-16-4-8-24-53(44)63-58(45)50;1-2-16-34(17-3-1)36-19-6-10-26-44(36)54(46-28-14-22-39-38-21-7-11-29-47(38)55-52(39)46)45-27-15-25-42-51(45)50-37-20-5-4-18-35(37)32-33-43(50)53(42)40-23-8-12-30-48(40)56-49-31-13-9-24-41(49)53;1-2-13-34(14-3-1)35-25-28-37(29-26-35)54(38-30-32-48-41(33-38)40-17-6-9-22-47(40)55-48)46-21-12-20-44-52(46)51-39-16-5-4-15-36(39)27-31-45(51)53(44)42-18-7-10-23-49(42)56-50-24-11-8-19-43(50)53/h1-35H;2*1-33H.
What are the key properties of N-dibenzothiophen-4-yl-N-(4-spiro[benzo[c]fluorene-7,9'-thioxanthene]-11-ylphenyl)dibenzofuran-3-amine;N-(2-phenylphenyl)-N-spiro[benzo[c]fluorene-7,9'-thioxanthene]-11-yldibenzofuran-4-amine;N-(4-phenylphenyl)-N-spiro[benzo[c]fluorene-7,9'-thioxanthene]-11-yldibenzofuran-2-amine?
N-dibenzothiophen-4-yl-N-(4-spiro[benzo[c]fluorene-7,9'-thioxanthene]-11-ylphenyl)dibenzofuran-3-amine;N-(2-phenylphenyl)-N-spiro[benzo[c]fluorene-7,9'-thioxanthene]-11-yldibenzofuran-4-amine;N-(4-phenylphenyl)-N-spiro[benzo[c]fluorene-7,9'-thioxanthene]-11-yldibenzofuran-2-amine has a molecular weight of 2301.91 g/mol, XLogP of 46.48, 12 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-dibenzothiophen-4-yl-N-(4-spiro[benzo[c]fluorene-7,9'-thioxanthene]-11-ylphenyl)dibenzofuran-3-amine;N-(2-phenylphenyl)-N-spiro[benzo[c]fluorene-7,9'-thioxanthene]-11-yldibenzofuran-4-amine;N-(4-phenylphenyl)-N-spiro[benzo[c]fluorene-7,9'-thioxanthene]-11-yldibenzofuran-2-amine is sourced from PubChem (CID 164995179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).