N-dibenzofuran-3-yl-N-phenylspiro[benzo[a]phenalene-7,9'-xanthene]-2'-amine;N-dibenzothiophen-3-yl-N-phenylspiro[benzo[a]phenalene-7,9'-xanthene]-2'-amine;N-(9,9-dimethylfluoren-2-yl)-N-(9-naphthalen-1-yl-9-phenylxanthen-2-yl)-9-phenylcarbazol-2-amine;N-(9,9-dimethylfluoren-2-yl)-N-phenylspiro[benzo[a]phenalene-7,9'-xanthene]-2'-amine

C206H137N5O5S — CID 165105589

IUPACN-dibenzofuran-3-yl-N-phenylspiro[benzo[a]phenalene-7,9'-xanthene]-2'-amine;N-dibenzothiophen-3-yl-N-phenylspiro[benzo[a]phenalene-7,9'-xanthene]-2'-amine;N-(9,9-dimethylfluoren-2-yl)-N-(9-naphthalen-1-yl-9-phenylxanthen-2-yl)-9-phenylcarbazol-2-amine;N-(9,9-dimethylfluoren-2-yl)-N-phenylspiro[benzo[a]phenalene-7,9'-xanthene]-2'-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccc4c(c3)C(c3ccccc3)(c3cccc5ccccc35)c3ccccc3O4)c3ccc4c5ccccc5n(-c5ccccc5)c4c3)cc21.CC1(C)c2ccccc2-c2ccc(N(c3ccccc3)c3ccc4c(c3)C3(c5ccccc5O4)c4ccccc4-c4cccc5cccc3c45)cc21.c1ccc(N(c2ccc3c(c2)C2(c4ccccc4O3)c3ccccc3-c3cccc4cccc2c34)c2ccc3c(c2)oc2ccccc23)cc1.c1ccc(N(c2ccc3c(c2)C2(c4ccccc4O3)c3ccccc3-c3cccc4cccc2c34)c2ccc3c(c2)sc2ccccc23)cc1
InChIInChI=1S/C62H44N2O.C50H35NO.C47H29NO2.C47H29NOS/c1-61(2)52-27-13-11-25-48(52)49-35-32-44(38-55(49)61)63(46-33-36-51-50-26-12-15-30-57(50)64(58(51)40-46)43-22-7-4-8-23-43)45-34-37-60-56(39-45)62(42-20-5-3-6-21-42,54-28-14-16-31-59(54)65-60)53-29-17-19-41-18-9-10-24-47(41)53;1-49(2)40-21-8-6-18-36(40)38-28-26-34(30-44(38)49)51(33-16-4-3-5-17-33)35-27-29-47-45(31-35)50(42-23-10-11-25-46(42)52-47)41-22-9-7-19-37(41)39-20-12-14-32-15-13-24-43(50)48(32)39;1-2-14-31(15-3-1)48(33-24-26-36-35-17-5-8-22-42(35)49-45(36)29-33)32-25-27-44-41(28-32)47(39-20-7-9-23-43(39)50-44)38-19-6-4-16-34(38)37-18-10-12-30-13-11-21-40(47)46(30)37;1-2-14-31(15-3-1)48(33-24-26-36-35-17-5-9-23-44(35)50-45(36)29-33)32-25-27-43-41(28-32)47(39-20-7-8-22-42(39)49-43)38-19-6-4-16-34(38)37-18-10-12-30-13-11-21-40(47)46(30)37/h3-40H,1-2H3;3-31H,1-2H3;2*1-29H
InChIKeyZBKJGKCUECVYAJ-UHFFFAOYSA-N
MW2794.46 g/mol
LogP55.11
Rot. Bonds15

About N-dibenzofuran-3-yl-N-phenylspiro[benzo[a]phenalene-7,9'-xanthene]-2'-amine;N-dibenzothiophen-3-yl-N-phenylspiro[benzo[a]phenalene-7,9'-xanthene]-2'-amine;N-(9,9-dimethylfluoren-2-yl)-N-(9-naphthalen-1-yl-9-phenylxanthen-2-yl)-9-phenylcarbazol-2-amine;N-(9,9-dimethylfluoren-2-yl)-N-phenylspiro[benzo[a]phenalene-7,9'-xanthene]-2'-amine

N-dibenzofuran-3-yl-N-phenylspiro[benzo[a]phenalene-7,9'-xanthene]-2'-amine;N-dibenzothiophen-3-yl-N-phenylspiro[benzo[a]phenalene-7,9'-xanthene]-2'-amine;N-(9,9-dimethylfluoren-2-yl)-N-(9-naphthalen-1-yl-9-phenylxanthen-2-yl)-9-phenylcarbazol-2-amine;N-(9,9-dimethylfluoren-2-yl)-N-phenylspiro[benzo[a]phenalene-7,9'-xanthene]-2'-amine (PubChem CID 165105589) has the molecular formula C206H137N5O5S and a molecular weight of 2794.46 g/mol. Its IUPAC name is N-dibenzofuran-3-yl-N-phenylspiro[benzo[a]phenalene-7,9'-xanthene]-2'-amine;N-dibenzothiophen-3-yl-N-phenylspiro[benzo[a]phenalene-7,9'-xanthene]-2'-amine;N-(9,9-dimethylfluoren-2-yl)-N-(9-naphthalen-1-yl-9-phenylxanthen-2-yl)-9-phenylcarbazol-2-amine;N-(9,9-dimethylfluoren-2-yl)-N-phenylspiro[benzo[a]phenalene-7,9'-xanthene]-2'-amine.

Molecular Properties

Compound NameN-dibenzofuran-3-yl-N-phenylspiro[benzo[a]phenalene-7,9'-xanthene]-2'-amine;N-dibenzothiophen-3-yl-N-phenylspiro[benzo[a]phenalene-7,9'-xanthene]-2'-amine;N-(9,9-dimethylfluoren-2-yl)-N-(9-naphthalen-1-yl-9-phenylxanthen-2-yl)-9-phenylcarbazol-2-amine;N-(9,9-dimethylfluoren-2-yl)-N-phenylspiro[benzo[a]phenalene-7,9'-xanthene]-2'-amine
PubChem CID165105589
Molecular FormulaC206H137N5O5S
Molecular Weight2794.46 g/mol
Exact Mass2792.03
IUPAC NameN-dibenzofuran-3-yl-N-phenylspiro[benzo[a]phenalene-7,9'-xanthene]-2'-amine;N-dibenzothiophen-3-yl-N-phenylspiro[benzo[a]phenalene-7,9'-xanthene]-2'-amine;N-(9,9-dimethylfluoren-2-yl)-N-(9-naphthalen-1-yl-9-phenylxanthen-2-yl)-9-phenylcarbazol-2-amine;N-(9,9-dimethylfluoren-2-yl)-N-phenylspiro[benzo[a]phenalene-7,9'-xanthene]-2'-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccc4c(c3)C(c3ccccc3)(c3cccc5ccccc35)c3ccccc3O4)c3ccc4c5ccccc5n(-c5ccccc5)c4c3)cc21.CC1(C)c2ccccc2-c2ccc(N(c3ccccc3)c3ccc4c(c3)C3(c5ccccc5O4)c4ccccc4-c4cccc5cccc3c45)cc21.c1ccc(N(c2ccc3c(c2)C2(c4ccccc4O3)c3ccccc3-c3cccc4cccc2c34)c2ccc3c(c2)oc2ccccc23)cc1.c1ccc(N(c2ccc3c(c2)C2(c4ccccc4O3)c3ccccc3-c3cccc4cccc2c34)c2ccc3c(c2)sc2ccccc23)cc1
InChIInChI=1S/C62H44N2O.C50H35NO.C47H29NO2.C47H29NOS/c1-61(2)52-27-13-11-25-48(52)49-35-32-44(38-55(49)61)63(46-33-36-51-50-26-12-15-30-57(50)64(58(51)40-46)43-22-7-4-8-23-43)45-34-37-60-56(39-45)62(42-20-5-3-6-21-42,54-28-14-16-31-59(54)65-60)53-29-17-19-41-18-9-10-24-47(41)53;1-49(2)40-21-8-6-18-36(40)38-28-26-34(30-44(38)49)51(33-16-4-3-5-17-33)35-27-29-47-45(31-35)50(42-23-10-11-25-46(42)52-47)41-22-9-7-19-37(41)39-20-12-14-32-15-13-24-43(50)48(32)39;1-2-14-31(15-3-1)48(33-24-26-36-35-17-5-8-22-42(35)49-45(36)29-33)32-25-27-44-41(28-32)47(39-20-7-9-23-43(39)50-44)38-19-6-4-16-34(38)37-18-10-12-30-13-11-21-40(47)46(30)37;1-2-14-31(15-3-1)48(33-24-26-36-35-17-5-9-23-44(35)50-45(36)29-33)32-25-27-43-41(28-32)47(39-20-7-8-22-42(39)49-43)38-19-6-4-16-34(38)37-18-10-12-30-13-11-21-40(47)46(30)37/h3-40H,1-2H3;3-31H,1-2H3;2*1-29H
InChIKeyZBKJGKCUECVYAJ-UHFFFAOYSA-N
XLogP55.11
TPSA67.95 Ų
H-Bond Donors
H-Bond Acceptors11
Rotatable Bonds15
Heavy Atoms217
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002794.46
LogP ≤ 555.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1011

Analyze N-dibenzofuran-3-yl-N-phenylspiro[benzo[a]phenalene-7,9'-xanthene]-2'-amine;N-dibenzothiophen-3-yl-N-phenylspiro[benzo[a]phenalene-7,9'-xanthene]-2'-amine;N-(9,9-dimethylfluoren-2-yl)-N-(9-naphthalen-1-yl-9-phenylxanthen-2-yl)-9-phenylcarbazol-2-amine;N-(9,9-dimethylfluoren-2-yl)-N-phenylspiro[benzo[a]phenalene-7,9'-xanthene]-2'-amine with MolForge

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Related Compounds

N-dibenzofuran-2-yl-9-phenyl-N-spiro[benzo[a]phenalene-7,9'-xanthene]-2'-ylcarbazol-2-amine
CID 164794806
N-dibenzofuran-2-yl-N-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-5-yl)-9-phenylcarbazol-2-amine;N-dibenzothiophen-2-yl-N-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-5-yl)-9-phenylcarbazol-2-amine;N-(9,9-dimethylfluoren-2-yl)-N-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-5-yl)-9-phenylcarbazol-2-amine
CID 159531221
9-dibenzothiophen-2-yl-N-phenyl-N-spiro[benzo[a]phenalene-7,9'-xanthene]-2'-ylcarbazol-2-amine
CID 164793908
9-dibenzofuran-1-yl-N-naphthalen-1-yl-N-spiro[benzo[a]phenalene-7,9'-xanthene]-2'-ylcarbazol-2-amine;N-dibenzothiophen-1-yl-9-phenyl-N-spiro[benzo[a]phenalene-7,9'-xanthene]-2'-ylcarbazol-2-amine;N-dibenzothiophen-2-yl-9-phenyl-N-spiro[benzo[a]phenalene-7,9'-xanthene]-2'-ylcarbazol-2-amine;N-dibenzothiophen-3-yl-9-phenyl-N-spiro[benzo[a]phenalene-7,9'-xanthene]-2'-ylcarbazol-2-amine
CID 165005039
N-dibenzofuran-2-yl-9-phenyl-N-spiro[benzo[a]phenalene-7,9'-xanthene]-2'-ylcarbazol-3-amine
CID 164794710
N-dibenzofuran-3-yl-9-phenyl-N-spiro[benzo[a]phenalene-7,9'-fluorene]-9-ylcarbazol-2-amine
CID 164732009
9-dibenzothiophen-3-yl-N-phenyl-N-spiro[benzo[a]phenalene-7,9'-xanthene]-3'-ylcarbazol-2-amine
CID 164794838
7-N-dibenzofuran-3-yl-9,9-dimethyl-2-N-naphthalen-1-yl-2-N-phenyl-7-N-(4-phenylphenyl)fluorene-2,7-diamine;7-N-dibenzothiophen-3-yl-9,9-dimethyl-2-N-naphthalen-1-yl-2-N-phenyl-7-N-(4-phenylphenyl)fluorene-2,7-diamine;9,9-dimethyl-2-N,7-N-diphenyl-2-N,7-N-bis(4-phenylphenyl)fluorene-2,7-diamine;2-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-2-N,7-N-diphenyl-7-N-(4-phenylphenyl)fluorene-2,7-diamine;N-[4-[4-(N-naphthalen-1-ylanilino)phenyl]phenyl]-9,9-diphenyl-N-(4-phenylphenyl)fluoren-2-amine;N-[4-[4-(N-naphthalen-1-ylanilino)phenyl]phenyl]-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine
CID 157280557
N-dibenzothiophen-3-yl-9-naphthalen-1-yl-N-spiro[benzo[a]phenalene-7,9'-xanthene]-3'-ylcarbazol-2-amine;N-(9,9-dimethylfluoren-4-yl)-9-phenyl-N-spiro[benzo[a]phenalene-7,9'-xanthene]-3'-ylcarbazol-2-amine;9-(9,9-dimethylfluoren-2-yl)-N-phenyl-N-spiro[benzo[a]phenalene-7,9'-xanthene]-3'-ylcarbazol-2-amine;9-(9,9-dimethylfluoren-3-yl)-N-phenyl-N-spiro[benzo[a]phenalene-7,9'-xanthene]-3'-ylcarbazol-2-amine;9-(9,9-dimethylfluoren-4-yl)-N-phenyl-N-spiro[benzo[a]phenalene-7,9'-xanthene]-3'-ylcarbazol-2-amine
CID 165049631
N-dibenzofuran-1-yl-9-phenyl-N-spiro[benzo[a]phenalene-7,9'-xanthene]-9-ylcarbazol-2-amine;9-dibenzofuran-2-yl-N-phenyl-N-spiro[benzo[a]phenalene-7,9'-xanthene]-9-ylcarbazol-2-amine;9-dibenzofuran-3-yl-N-phenyl-N-spiro[benzo[a]phenalene-7,9'-xanthene]-9-ylcarbazol-2-amine
CID 165079772
N-dibenzofuran-2-yl-9-naphthalen-1-yl-N-spiro[benzo[a]phenalene-7,9'-xanthene]-2'-ylcarbazol-2-amine;N-dibenzofuran-3-yl-9-naphthalen-1-yl-N-spiro[benzo[a]phenalene-7,9'-xanthene]-2'-ylcarbazol-2-amine;9-dibenzothiophen-1-yl-N-naphthalen-1-yl-N-spiro[benzo[a]phenalene-7,9'-xanthene]-2'-ylcarbazol-2-amine;9-dibenzothiophen-2-yl-N-naphthalen-1-yl-N-spiro[benzo[a]phenalene-7,9'-xanthene]-2'-ylcarbazol-2-amine
CID 164977327
N-naphthalen-1-yl-9-phenyl-N-(9'-phenyl-7,7'-spirobi[benzo[a]phenalene]-3'-yl)carbazol-2-amine;N-naphthalen-1-yl-N-(9'-phenyl-7,7'-spirobi[benzo[a]phenalene]-3'-yl)dibenzofuran-3-amine;N-naphthalen-1-yl-N-(9'-phenyl-7,7'-spirobi[benzo[a]phenalene]-3-yl)dibenzothiophen-3-amine
CID 165083383

Frequently Asked Questions

What is the IUPAC name of N-dibenzofuran-3-yl-N-phenylspiro[benzo[a]phenalene-7,9'-xanthene]-2'-amine;N-dibenzothiophen-3-yl-N-phenylspiro[benzo[a]phenalene-7,9'-xanthene]-2'-amine;N-(9,9-dimethylfluoren-2-yl)-N-(9-naphthalen-1-yl-9-phenylxanthen-2-yl)-9-phenylcarbazol-2-amine;N-(9,9-dimethylfluoren-2-yl)-N-phenylspiro[benzo[a]phenalene-7,9'-xanthene]-2'-amine?
The IUPAC name of N-dibenzofuran-3-yl-N-phenylspiro[benzo[a]phenalene-7,9'-xanthene]-2'-amine;N-dibenzothiophen-3-yl-N-phenylspiro[benzo[a]phenalene-7,9'-xanthene]-2'-amine;N-(9,9-dimethylfluoren-2-yl)-N-(9-naphthalen-1-yl-9-phenylxanthen-2-yl)-9-phenylcarbazol-2-amine;N-(9,9-dimethylfluoren-2-yl)-N-phenylspiro[benzo[a]phenalene-7,9'-xanthene]-2'-amine (CID 165105589) is N-dibenzofuran-3-yl-N-phenylspiro[benzo[a]phenalene-7,9'-xanthene]-2'-amine;N-dibenzothiophen-3-yl-N-phenylspiro[benzo[a]phenalene-7,9'-xanthene]-2'-amine;N-(9,9-dimethylfluoren-2-yl)-N-(9-naphthalen-1-yl-9-phenylxanthen-2-yl)-9-phenylcarbazol-2-amine;N-(9,9-dimethylfluoren-2-yl)-N-phenylspiro[benzo[a]phenalene-7,9'-xanthene]-2'-amine.
What is the SMILES notation for N-dibenzofuran-3-yl-N-phenylspiro[benzo[a]phenalene-7,9'-xanthene]-2'-amine;N-dibenzothiophen-3-yl-N-phenylspiro[benzo[a]phenalene-7,9'-xanthene]-2'-amine;N-(9,9-dimethylfluoren-2-yl)-N-(9-naphthalen-1-yl-9-phenylxanthen-2-yl)-9-phenylcarbazol-2-amine;N-(9,9-dimethylfluoren-2-yl)-N-phenylspiro[benzo[a]phenalene-7,9'-xanthene]-2'-amine?
The canonical SMILES for N-dibenzofuran-3-yl-N-phenylspiro[benzo[a]phenalene-7,9'-xanthene]-2'-amine;N-dibenzothiophen-3-yl-N-phenylspiro[benzo[a]phenalene-7,9'-xanthene]-2'-amine;N-(9,9-dimethylfluoren-2-yl)-N-(9-naphthalen-1-yl-9-phenylxanthen-2-yl)-9-phenylcarbazol-2-amine;N-(9,9-dimethylfluoren-2-yl)-N-phenylspiro[benzo[a]phenalene-7,9'-xanthene]-2'-amine is CC1(C)c2ccccc2-c2ccc(N(c3ccc4c(c3)C(c3ccccc3)(c3cccc5ccccc35)c3ccccc3O4)c3ccc4c5ccccc5n(-c5ccccc5)c4c3)cc21.CC1(C)c2ccccc2-c2ccc(N(c3ccccc3)c3ccc4c(c3)C3(c5ccccc5O4)c4ccccc4-c4cccc5cccc3c45)cc21.c1ccc(N(c2ccc3c(c2)C2(c4ccccc4O3)c3ccccc3-c3cccc4cccc2c34)c2ccc3c(c2)oc2ccccc23)cc1.c1ccc(N(c2ccc3c(c2)C2(c4ccccc4O3)c3ccccc3-c3cccc4cccc2c34)c2ccc3c(c2)sc2ccccc23)cc1.
What is the InChIKey of N-dibenzofuran-3-yl-N-phenylspiro[benzo[a]phenalene-7,9'-xanthene]-2'-amine;N-dibenzothiophen-3-yl-N-phenylspiro[benzo[a]phenalene-7,9'-xanthene]-2'-amine;N-(9,9-dimethylfluoren-2-yl)-N-(9-naphthalen-1-yl-9-phenylxanthen-2-yl)-9-phenylcarbazol-2-amine;N-(9,9-dimethylfluoren-2-yl)-N-phenylspiro[benzo[a]phenalene-7,9'-xanthene]-2'-amine?
The InChIKey is ZBKJGKCUECVYAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C62H44N2O.C50H35NO.C47H29NO2.C47H29NOS/c1-61(2)52-27-13-11-25-48(52)49-35-32-44(38-55(49)61)63(46-33-36-51-50-26-12-15-30-57(50)64(58(51)40-46)43-22-7-4-8-23-43)45-34-37-60-56(39-45)62(42-20-5-3-6-21-42,54-28-14-16-31-59(54)65-60)53-29-17-19-41-18-9-10-24-47(41)53;1-49(2)40-21-8-6-18-36(40)38-28-26-34(30-44(38)49)51(33-16-4-3-5-17-33)35-27-29-47-45(31-35)50(42-23-10-11-25-46(42)52-47)41-22-9-7-19-37(41)39-20-12-14-32-15-13-24-43(50)48(32)39;1-2-14-31(15-3-1)48(33-24-26-36-35-17-5-8-22-42(35)49-45(36)29-33)32-25-27-44-41(28-32)47(39-20-7-9-23-43(39)50-44)38-19-6-4-16-34(38)37-18-10-12-30-13-11-21-40(47)46(30)37;1-2-14-31(15-3-1)48(33-24-26-36-35-17-5-9-23-44(35)50-45(36)29-33)32-25-27-43-41(28-32)47(39-20-7-8-22-42(39)49-43)38-19-6-4-16-34(38)37-18-10-12-30-13-11-21-40(47)46(30)37/h3-40H,1-2H3;3-31H,1-2H3;2*1-29H.
What are the key properties of N-dibenzofuran-3-yl-N-phenylspiro[benzo[a]phenalene-7,9'-xanthene]-2'-amine;N-dibenzothiophen-3-yl-N-phenylspiro[benzo[a]phenalene-7,9'-xanthene]-2'-amine;N-(9,9-dimethylfluoren-2-yl)-N-(9-naphthalen-1-yl-9-phenylxanthen-2-yl)-9-phenylcarbazol-2-amine;N-(9,9-dimethylfluoren-2-yl)-N-phenylspiro[benzo[a]phenalene-7,9'-xanthene]-2'-amine?
N-dibenzofuran-3-yl-N-phenylspiro[benzo[a]phenalene-7,9'-xanthene]-2'-amine;N-dibenzothiophen-3-yl-N-phenylspiro[benzo[a]phenalene-7,9'-xanthene]-2'-amine;N-(9,9-dimethylfluoren-2-yl)-N-(9-naphthalen-1-yl-9-phenylxanthen-2-yl)-9-phenylcarbazol-2-amine;N-(9,9-dimethylfluoren-2-yl)-N-phenylspiro[benzo[a]phenalene-7,9'-xanthene]-2'-amine has a molecular weight of 2794.46 g/mol, XLogP of 55.11, 15 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for N-dibenzofuran-3-yl-N-phenylspiro[benzo[a]phenalene-7,9'-xanthene]-2'-amine;N-dibenzothiophen-3-yl-N-phenylspiro[benzo[a]phenalene-7,9'-xanthene]-2'-amine;N-(9,9-dimethylfluoren-2-yl)-N-(9-naphthalen-1-yl-9-phenylxanthen-2-yl)-9-phenylcarbazol-2-amine;N-(9,9-dimethylfluoren-2-yl)-N-phenylspiro[benzo[a]phenalene-7,9'-xanthene]-2'-amine is sourced from PubChem (CID 165105589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).