N,N-bis(4-phenylphenyl)spiro[thioxanthene-9,9'-xanthene]-2-amine;N-naphthalen-1-yl-N-(4-phenylphenyl)spiro[thioxanthene-9,9'-xanthene]-2-amine;N-phenanthren-2-yl-N-(4-phenylphenyl)spiro[thioxanthene-9,9'-xanthene]-2-amine;N-phenyl-N-(7-phenyldibenzofuran-3-yl)spiro[thioxanthene-9,9'-xanthene]-2-amine

C196H128N4O5S4 — CID 161220439

IUPACN,N-bis(4-phenylphenyl)spiro[thioxanthene-9,9'-xanthene]-2-amine;N-naphthalen-1-yl-N-(4-phenylphenyl)spiro[thioxanthene-9,9'-xanthene]-2-amine;N-phenanthren-2-yl-N-(4-phenylphenyl)spiro[thioxanthene-9,9'-xanthene]-2-amine;N-phenyl-N-(7-phenyldibenzofuran-3-yl)spiro[thioxanthene-9,9'-xanthene]-2-amine
SMILESc1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc4c(c3)C3(c5ccccc5Oc5ccccc53)c3ccccc3S4)cc2)cc1.c1ccc(-c2ccc(N(c3ccc4c(c3)C3(c5ccccc5Oc5ccccc53)c3ccccc3S4)c3ccc4c(ccc5ccccc54)c3)cc2)cc1.c1ccc(-c2ccc(N(c3ccc4c(c3)C3(c5ccccc5Oc5ccccc53)c3ccccc3S4)c3cccc4ccccc34)cc2)cc1.c1ccc(-c2ccc3c(c2)oc2cc(N(c4ccccc4)c4ccc5c(c4)C4(c6ccccc6Oc6ccccc64)c4ccccc4S5)ccc23)cc1
InChIInChI=1S/C51H33NOS.C49H31NO2S.C49H33NOS.C47H31NOS/c1-2-12-34(13-3-1)35-24-26-38(27-25-35)52(39-28-30-42-37(32-39)23-22-36-14-4-5-15-41(36)42)40-29-31-50-46(33-40)51(45-18-8-11-21-49(45)54-50)43-16-6-9-19-47(43)53-48-20-10-7-17-44(48)51;1-3-13-32(14-4-1)33-23-26-37-38-27-24-36(31-46(38)52-45(37)29-33)50(34-15-5-2-6-16-34)35-25-28-48-42(30-35)49(41-19-9-12-22-47(41)53-48)39-17-7-10-20-43(39)51-44-21-11-8-18-40(44)49;1-3-13-34(14-4-1)36-23-27-38(28-24-36)50(39-29-25-37(26-30-39)35-15-5-2-6-16-35)40-31-32-48-44(33-40)49(43-19-9-12-22-47(43)52-48)41-17-7-10-20-45(41)51-46-21-11-8-18-42(46)49;1-2-13-32(14-3-1)33-25-27-35(28-26-33)48(42-21-12-16-34-15-4-5-17-37(34)42)36-29-30-46-41(31-36)47(40-20-8-11-24-45(40)50-46)38-18-6-9-22-43(38)49-44-23-10-7-19-39(44)47/h1-33H;1-31H;1-33H;1-31H
InChIKeyUXKUMDZSCULWRY-UHFFFAOYSA-N
MW2747.47 g/mol
LogP54.13
Rot. Bonds17

About N,N-bis(4-phenylphenyl)spiro[thioxanthene-9,9'-xanthene]-2-amine;N-naphthalen-1-yl-N-(4-phenylphenyl)spiro[thioxanthene-9,9'-xanthene]-2-amine;N-phenanthren-2-yl-N-(4-phenylphenyl)spiro[thioxanthene-9,9'-xanthene]-2-amine;N-phenyl-N-(7-phenyldibenzofuran-3-yl)spiro[thioxanthene-9,9'-xanthene]-2-amine

N,N-bis(4-phenylphenyl)spiro[thioxanthene-9,9'-xanthene]-2-amine;N-naphthalen-1-yl-N-(4-phenylphenyl)spiro[thioxanthene-9,9'-xanthene]-2-amine;N-phenanthren-2-yl-N-(4-phenylphenyl)spiro[thioxanthene-9,9'-xanthene]-2-amine;N-phenyl-N-(7-phenyldibenzofuran-3-yl)spiro[thioxanthene-9,9'-xanthene]-2-amine (PubChem CID 161220439) has the molecular formula C196H128N4O5S4 and a molecular weight of 2747.47 g/mol. Its IUPAC name is N,N-bis(4-phenylphenyl)spiro[thioxanthene-9,9'-xanthene]-2-amine;N-naphthalen-1-yl-N-(4-phenylphenyl)spiro[thioxanthene-9,9'-xanthene]-2-amine;N-phenanthren-2-yl-N-(4-phenylphenyl)spiro[thioxanthene-9,9'-xanthene]-2-amine;N-phenyl-N-(7-phenyldibenzofuran-3-yl)spiro[thioxanthene-9,9'-xanthene]-2-amine.

Molecular Properties

Compound NameN,N-bis(4-phenylphenyl)spiro[thioxanthene-9,9'-xanthene]-2-amine;N-naphthalen-1-yl-N-(4-phenylphenyl)spiro[thioxanthene-9,9'-xanthene]-2-amine;N-phenanthren-2-yl-N-(4-phenylphenyl)spiro[thioxanthene-9,9'-xanthene]-2-amine;N-phenyl-N-(7-phenyldibenzofuran-3-yl)spiro[thioxanthene-9,9'-xanthene]-2-amine
PubChem CID161220439
Molecular FormulaC196H128N4O5S4
Molecular Weight2747.47 g/mol
Exact Mass2744.88
IUPAC NameN,N-bis(4-phenylphenyl)spiro[thioxanthene-9,9'-xanthene]-2-amine;N-naphthalen-1-yl-N-(4-phenylphenyl)spiro[thioxanthene-9,9'-xanthene]-2-amine;N-phenanthren-2-yl-N-(4-phenylphenyl)spiro[thioxanthene-9,9'-xanthene]-2-amine;N-phenyl-N-(7-phenyldibenzofuran-3-yl)spiro[thioxanthene-9,9'-xanthene]-2-amine
SMILESc1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc4c(c3)C3(c5ccccc5Oc5ccccc53)c3ccccc3S4)cc2)cc1.c1ccc(-c2ccc(N(c3ccc4c(c3)C3(c5ccccc5Oc5ccccc53)c3ccccc3S4)c3ccc4c(ccc5ccccc54)c3)cc2)cc1.c1ccc(-c2ccc(N(c3ccc4c(c3)C3(c5ccccc5Oc5ccccc53)c3ccccc3S4)c3cccc4ccccc34)cc2)cc1.c1ccc(-c2ccc3c(c2)oc2cc(N(c4ccccc4)c4ccc5c(c4)C4(c6ccccc6Oc6ccccc64)c4ccccc4S5)ccc23)cc1
InChIInChI=1S/C51H33NOS.C49H31NO2S.C49H33NOS.C47H31NOS/c1-2-12-34(13-3-1)35-24-26-38(27-25-35)52(39-28-30-42-37(32-39)23-22-36-14-4-5-15-41(36)42)40-29-31-50-46(33-40)51(45-18-8-11-21-49(45)54-50)43-16-6-9-19-47(43)53-48-20-10-7-17-44(48)51;1-3-13-32(14-4-1)33-23-26-37-38-27-24-36(31-46(38)52-45(37)29-33)50(34-15-5-2-6-16-34)35-25-28-48-42(30-35)49(41-19-9-12-22-47(41)53-48)39-17-7-10-20-43(39)51-44-21-11-8-18-40(44)49;1-3-13-34(14-4-1)36-23-27-38(28-24-36)50(39-29-25-37(26-30-39)35-15-5-2-6-16-35)40-31-32-48-44(33-40)49(43-19-9-12-22-47(43)52-48)41-17-7-10-20-45(41)51-46-21-11-8-18-42(46)49;1-2-13-32(14-3-1)33-25-27-35(28-26-33)48(42-21-12-16-34-15-4-5-17-37(34)42)36-29-30-46-41(31-36)47(40-20-8-11-24-45(40)50-46)38-18-6-9-22-43(38)49-44-23-10-7-19-39(44)47/h1-33H;1-31H;1-33H;1-31H
InChIKeyUXKUMDZSCULWRY-UHFFFAOYSA-N
XLogP54.13
TPSA63.02 Ų
H-Bond Donors
H-Bond Acceptors13
Rotatable Bonds17
Heavy Atoms209
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002747.47
LogP ≤ 554.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1013

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze N,N-bis(4-phenylphenyl)spiro[thioxanthene-9,9'-xanthene]-2-amine;N-naphthalen-1-yl-N-(4-phenylphenyl)spiro[thioxanthene-9,9'-xanthene]-2-amine;N-phenanthren-2-yl-N-(4-phenylphenyl)spiro[thioxanthene-9,9'-xanthene]-2-amine;N-phenyl-N-(7-phenyldibenzofuran-3-yl)spiro[thioxanthene-9,9'-xanthene]-2-amine with MolForge

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Related Compounds

5,5-diphenyl-N,N-bis(4-phenylphenyl)spiro[benzo[b][1]benzosiline-10,9'-thioxanthene]-2'-amine;N-(5,5-diphenylspiro[benzo[b][1]benzosiline-10,9'-thioxanthene]-2'-yl)-N,7-diphenyldibenzofuran-3-amine;N-naphthalen-1-yl-5,5-diphenyl-N-(4-phenylphenyl)spiro[benzo[b][1]benzosiline-10,9'-thioxanthene]-2'-amine;N-phenanthren-2-yl-5,5-diphenyl-N-(4-phenylphenyl)spiro[benzo[b][1]benzosiline-10,9'-thioxanthene]-2'-amine
CID 160986972
N-naphthalen-1-yl-N-spiro[benzo[a]phenalene-7,9'-thioxanthene]-2'-yldibenzofuran-3-amine
CID 164793860
N-(4-dibenzofuran-3-ylphenyl)-N-spiro[fluorene-9,9'-thioxanthene]-4-ylspiro[fluorene-9,9'-xanthene]-3-amine
CID 138476806
N-(4-phenylphenyl)-N-spiro[benzo[g]fluorene-7,9'-thioxanthene]-9-yldibenzofuran-3-amine
CID 156563659
N-dibenzofuran-1-yl-N-phenylspiro[thioxanthene-9,9'-xanthene]-2'-amine
CID 146720375
N-(4-dibenzofuran-1-ylphenyl)-N-spiro[fluorene-9,9'-thioxanthene]-2-ylspiro[fluorene-9,9'-xanthene]-3-amine;N-(4-dibenzothiophen-1-ylphenyl)-N-spiro[fluorene-9,9'-thioxanthene]-2-ylspiro[fluorene-9,9'-xanthene]-3-amine;N-(4-dibenzothiophen-3-ylphenyl)-N-spiro[fluorene-9,9'-thioxanthene]-2-ylspiro[fluorene-9,9'-xanthene]-3-amine;N-naphthalen-1-yl-N-spiro[fluorene-9,9'-thioxanthene]-2-ylspiro[fluorene-9,9'-xanthene]-3-amine
CID 161249951
N-phenanthren-2-yl-N-(4-phenylphenyl)spiro[fluorene-9,9'-xanthene]-2-amine
CID 90153947
N-naphthalen-1-yl-N-spiro[fluorene-9,9'-thioxanthene]-3-ylspiro[fluorene-9,9'-xanthene]-3-amine
CID 138476176
7-[4-(N-naphthalen-1-ylanilino)phenyl]-N,N-bis(4-phenylphenyl)phenanthren-2-amine
CID 59754893
N,N-diphenyl-4-[7-[4-(N-phenylanilino)phenyl]phenanthren-2-yl]aniline;N,4-diphenyl-N-[4-[7-[4-(N-(4-phenylphenyl)anilino)phenyl]phenanthren-2-yl]phenyl]aniline;N-naphthalen-1-yl-7-[7-(N-naphthalen-1-ylanilino)phenanthren-2-yl]-N-phenylphenanthren-2-amine;4-phenyl-N-(4-phenylphenyl)-N-[4-[7-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenanthren-2-yl]phenyl]aniline
CID 162152216
2-N-[7-(N-naphthalen-1-ylanilino)phenanthren-2-yl]-2-N,7-N-diphenyl-7-N-(4-phenylphenyl)phenanthrene-2,7-diamine
CID 59754912
2-N-naphthalen-1-yl-2-N-[4-[4-[naphthalen-1-yl-[7-(N-phenylanilino)phenanthren-2-yl]amino]phenyl]phenyl]-7-N,7-N-diphenylphenanthrene-2,7-diamine
CID 59754883

Frequently Asked Questions

What is the IUPAC name of N,N-bis(4-phenylphenyl)spiro[thioxanthene-9,9'-xanthene]-2-amine;N-naphthalen-1-yl-N-(4-phenylphenyl)spiro[thioxanthene-9,9'-xanthene]-2-amine;N-phenanthren-2-yl-N-(4-phenylphenyl)spiro[thioxanthene-9,9'-xanthene]-2-amine;N-phenyl-N-(7-phenyldibenzofuran-3-yl)spiro[thioxanthene-9,9'-xanthene]-2-amine?
The IUPAC name of N,N-bis(4-phenylphenyl)spiro[thioxanthene-9,9'-xanthene]-2-amine;N-naphthalen-1-yl-N-(4-phenylphenyl)spiro[thioxanthene-9,9'-xanthene]-2-amine;N-phenanthren-2-yl-N-(4-phenylphenyl)spiro[thioxanthene-9,9'-xanthene]-2-amine;N-phenyl-N-(7-phenyldibenzofuran-3-yl)spiro[thioxanthene-9,9'-xanthene]-2-amine (CID 161220439) is N,N-bis(4-phenylphenyl)spiro[thioxanthene-9,9'-xanthene]-2-amine;N-naphthalen-1-yl-N-(4-phenylphenyl)spiro[thioxanthene-9,9'-xanthene]-2-amine;N-phenanthren-2-yl-N-(4-phenylphenyl)spiro[thioxanthene-9,9'-xanthene]-2-amine;N-phenyl-N-(7-phenyldibenzofuran-3-yl)spiro[thioxanthene-9,9'-xanthene]-2-amine.
What is the SMILES notation for N,N-bis(4-phenylphenyl)spiro[thioxanthene-9,9'-xanthene]-2-amine;N-naphthalen-1-yl-N-(4-phenylphenyl)spiro[thioxanthene-9,9'-xanthene]-2-amine;N-phenanthren-2-yl-N-(4-phenylphenyl)spiro[thioxanthene-9,9'-xanthene]-2-amine;N-phenyl-N-(7-phenyldibenzofuran-3-yl)spiro[thioxanthene-9,9'-xanthene]-2-amine?
The canonical SMILES for N,N-bis(4-phenylphenyl)spiro[thioxanthene-9,9'-xanthene]-2-amine;N-naphthalen-1-yl-N-(4-phenylphenyl)spiro[thioxanthene-9,9'-xanthene]-2-amine;N-phenanthren-2-yl-N-(4-phenylphenyl)spiro[thioxanthene-9,9'-xanthene]-2-amine;N-phenyl-N-(7-phenyldibenzofuran-3-yl)spiro[thioxanthene-9,9'-xanthene]-2-amine is c1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc4c(c3)C3(c5ccccc5Oc5ccccc53)c3ccccc3S4)cc2)cc1.c1ccc(-c2ccc(N(c3ccc4c(c3)C3(c5ccccc5Oc5ccccc53)c3ccccc3S4)c3ccc4c(ccc5ccccc54)c3)cc2)cc1.c1ccc(-c2ccc(N(c3ccc4c(c3)C3(c5ccccc5Oc5ccccc53)c3ccccc3S4)c3cccc4ccccc34)cc2)cc1.c1ccc(-c2ccc3c(c2)oc2cc(N(c4ccccc4)c4ccc5c(c4)C4(c6ccccc6Oc6ccccc64)c4ccccc4S5)ccc23)cc1.
What is the InChIKey of N,N-bis(4-phenylphenyl)spiro[thioxanthene-9,9'-xanthene]-2-amine;N-naphthalen-1-yl-N-(4-phenylphenyl)spiro[thioxanthene-9,9'-xanthene]-2-amine;N-phenanthren-2-yl-N-(4-phenylphenyl)spiro[thioxanthene-9,9'-xanthene]-2-amine;N-phenyl-N-(7-phenyldibenzofuran-3-yl)spiro[thioxanthene-9,9'-xanthene]-2-amine?
The InChIKey is UXKUMDZSCULWRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H33NOS.C49H31NO2S.C49H33NOS.C47H31NOS/c1-2-12-34(13-3-1)35-24-26-38(27-25-35)52(39-28-30-42-37(32-39)23-22-36-14-4-5-15-41(36)42)40-29-31-50-46(33-40)51(45-18-8-11-21-49(45)54-50)43-16-6-9-19-47(43)53-48-20-10-7-17-44(48)51;1-3-13-32(14-4-1)33-23-26-37-38-27-24-36(31-46(38)52-45(37)29-33)50(34-15-5-2-6-16-34)35-25-28-48-42(30-35)49(41-19-9-12-22-47(41)53-48)39-17-7-10-20-43(39)51-44-21-11-8-18-40(44)49;1-3-13-34(14-4-1)36-23-27-38(28-24-36)50(39-29-25-37(26-30-39)35-15-5-2-6-16-35)40-31-32-48-44(33-40)49(43-19-9-12-22-47(43)52-48)41-17-7-10-20-45(41)51-46-21-11-8-18-42(46)49;1-2-13-32(14-3-1)33-25-27-35(28-26-33)48(42-21-12-16-34-15-4-5-17-37(34)42)36-29-30-46-41(31-36)47(40-20-8-11-24-45(40)50-46)38-18-6-9-22-43(38)49-44-23-10-7-19-39(44)47/h1-33H;1-31H;1-33H;1-31H.
What are the key properties of N,N-bis(4-phenylphenyl)spiro[thioxanthene-9,9'-xanthene]-2-amine;N-naphthalen-1-yl-N-(4-phenylphenyl)spiro[thioxanthene-9,9'-xanthene]-2-amine;N-phenanthren-2-yl-N-(4-phenylphenyl)spiro[thioxanthene-9,9'-xanthene]-2-amine;N-phenyl-N-(7-phenyldibenzofuran-3-yl)spiro[thioxanthene-9,9'-xanthene]-2-amine?
N,N-bis(4-phenylphenyl)spiro[thioxanthene-9,9'-xanthene]-2-amine;N-naphthalen-1-yl-N-(4-phenylphenyl)spiro[thioxanthene-9,9'-xanthene]-2-amine;N-phenanthren-2-yl-N-(4-phenylphenyl)spiro[thioxanthene-9,9'-xanthene]-2-amine;N-phenyl-N-(7-phenyldibenzofuran-3-yl)spiro[thioxanthene-9,9'-xanthene]-2-amine has a molecular weight of 2747.47 g/mol, XLogP of 54.13, 17 rotatable bonds, 0 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis(4-phenylphenyl)spiro[thioxanthene-9,9'-xanthene]-2-amine;N-naphthalen-1-yl-N-(4-phenylphenyl)spiro[thioxanthene-9,9'-xanthene]-2-amine;N-phenanthren-2-yl-N-(4-phenylphenyl)spiro[thioxanthene-9,9'-xanthene]-2-amine;N-phenyl-N-(7-phenyldibenzofuran-3-yl)spiro[thioxanthene-9,9'-xanthene]-2-amine is sourced from PubChem (CID 161220439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).