5,11-di(carbazol-9-yl)-1'-(3-isocyanocarbazol-9-yl)-6'-(3-pyrido[3,4-b]indol-9-ylcarbazol-9-yl)spiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-xanthene];9-[9-[5,11-di(carbazol-9-yl)-8'-(3-isocyanocarbazol-9-yl)spiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-xanthene]-3'-yl]pyrido[3,4-b]indol-6-yl]carbazole-3-carbonitrile;9-(9-spiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-xanthene]-3'-ylpyrido[3,4-b]indol-6-yl)carbazole-3-carbonitrile;1',5,11-tri(carbazol-9-yl)-6'-(3-pyrido[3,4-b]indol-9-ylcarbazol-9-yl)spiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-xanthene]

C296H167N33O4 — CID 161089097

IUPAC5,11-di(carbazol-9-yl)-1'-(3-isocyanocarbazol-9-yl)-6'-(3-pyrido[3,4-b]indol-9-ylcarbazol-9-yl)spiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-xanthene];9-[9-[5,11-di(carbazol-9-yl)-8'-(3-isocyanocarbazol-9-yl)spiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-xanthene]-3'-yl]pyrido[3,4-b]indol-6-yl]carbazole-3-carbonitrile;9-(9-spiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-xanthene]-3'-ylpyrido[3,4-b]indol-6-yl)carbazole-3-carbonitrile;1',5,11-tri(carbazol-9-yl)-6'-(3-pyrido[3,4-b]indol-9-ylcarbazol-9-yl)spiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-xanthene]
SMILESN#Cc1ccc2c(c1)c1ccccc1n2-c1ccc2c(c1)c1ccncc1n2-c1ccc2c(c1)Oc1ccccc1C21c2cccnc2-c2ncccc21.[C-]#[N+]c1ccc2c(c1)c1ccccc1n2-c1cccc2c1C1(c3ccc(-n4c5ccc(-n6c7ccccc7c7cc(C#N)ccc76)cc5c5ccncc54)cc3O2)c2cc(-n3c4ccccc4c4ccccc43)cnc2-c2ncc(-n3c4ccccc4c4ccccc43)cc21.[C-]#[N+]c1ccc2c(c1)c1ccccc1n2-c1cccc2c1C1(c3ccc(-n4c5ccccc5c5cc(-n6c7ccccc7c7ccncc76)ccc54)cc3O2)c2cc(-n3c4ccccc4c4ccccc43)cnc2-c2ncc(-n3c4ccccc4c4ccccc43)cc21.c1cc2c(c(-n3c4ccccc4c4ccccc43)c1)C1(c3ccc(-n4c5ccccc5c5cc(-n6c7ccccc7c7ccncc76)ccc54)cc3O2)c2cc(-n3c4ccccc4c4ccccc43)cnc2-c2ncc(-n3c4ccccc4c4ccccc43)cc21
InChIInChI=1S/C84H46N10O.C83H47N9O.C82H48N8O.C47H26N6O/c1-86-50-30-35-76-63(40-50)60-20-7-13-26-73(60)94(76)77-27-14-28-79-81(77)84(65-33-31-52(44-80(65)95-79)91-75-36-32-51(41-64(75)61-37-38-87-48-78(61)91)90-72-25-12-6-19-59(72)62-39-49(45-85)29-34-74(62)90)66-42-53(92-68-21-8-2-15-55(68)56-16-3-9-22-69(56)92)46-88-82(66)83-67(84)43-54(47-89-83)93-70-23-10-4-17-57(70)58-18-5-11-24-71(58)93;1-84-49-33-37-75-62(41-49)59-22-8-15-30-73(59)92(75)76-31-16-32-78-80(76)83(64-36-34-51(45-79(64)93-78)88-72-29-14-7-23-60(72)63-42-50(35-38-74(63)88)89-67-24-9-6-21-58(67)61-39-40-85-48-77(61)89)65-43-52(90-68-25-10-2-17-54(68)55-18-3-11-26-69(55)90)46-86-81(65)82-66(83)44-53(47-87-82)91-70-27-12-4-19-56(70)57-20-5-13-28-71(57)91;1-10-27-67-53(18-1)54-19-2-11-28-68(54)88(67)51-43-64-80(84-46-51)81-65(44-52(47-85-81)89-69-29-12-3-20-55(69)56-21-4-13-30-70(56)89)82(64)63-38-36-50(45-78(63)91-77-35-17-34-75(79(77)82)90-72-32-15-6-22-57(72)58-23-7-16-33-73(58)90)86-71-31-14-8-25-60(71)62-42-49(37-39-74(62)86)87-66-26-9-5-24-59(66)61-40-41-83-48-76(61)87;48-26-28-13-17-40-33(23-28)31-7-1-3-11-39(31)52(40)29-15-18-41-34(24-29)32-19-22-49-27-42(32)53(41)30-14-16-36-44(25-30)54-43-12-4-2-8-35(43)47(36)37-9-5-20-50-45(37)46-38(47)10-6-21-51-46/h2-44,46-48H;2-48H;1-48H;1-25,27H
InChIKeyUGXVSYMMCMJGHY-UHFFFAOYSA-N
MW4249.82 g/mol
LogP70.86
Rot. Bonds17

About 5,11-di(carbazol-9-yl)-1'-(3-isocyanocarbazol-9-yl)-6'-(3-pyrido[3,4-b]indol-9-ylcarbazol-9-yl)spiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-xanthene];9-[9-[5,11-di(carbazol-9-yl)-8'-(3-isocyanocarbazol-9-yl)spiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-xanthene]-3'-yl]pyrido[3,4-b]indol-6-yl]carbazole-3-carbonitrile;9-(9-spiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-xanthene]-3'-ylpyrido[3,4-b]indol-6-yl)carbazole-3-carbonitrile;1',5,11-tri(carbazol-9-yl)-6'-(3-pyrido[3,4-b]indol-9-ylcarbazol-9-yl)spiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-xanthene]

5,11-di(carbazol-9-yl)-1'-(3-isocyanocarbazol-9-yl)-6'-(3-pyrido[3,4-b]indol-9-ylcarbazol-9-yl)spiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-xanthene];9-[9-[5,11-di(carbazol-9-yl)-8'-(3-isocyanocarbazol-9-yl)spiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-xanthene]-3'-yl]pyrido[3,4-b]indol-6-yl]carbazole-3-carbonitrile;9-(9-spiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-xanthene]-3'-ylpyrido[3,4-b]indol-6-yl)carbazole-3-carbonitrile;1',5,11-tri(carbazol-9-yl)-6'-(3-pyrido[3,4-b]indol-9-ylcarbazol-9-yl)spiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-xanthene] (PubChem CID 161089097) has the molecular formula C296H167N33O4 and a molecular weight of 4249.82 g/mol. Its IUPAC name is 5,11-di(carbazol-9-yl)-1'-(3-isocyanocarbazol-9-yl)-6'-(3-pyrido[3,4-b]indol-9-ylcarbazol-9-yl)spiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-xanthene];9-[9-[5,11-di(carbazol-9-yl)-8'-(3-isocyanocarbazol-9-yl)spiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-xanthene]-3'-yl]pyrido[3,4-b]indol-6-yl]carbazole-3-carbonitrile;9-(9-spiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-xanthene]-3'-ylpyrido[3,4-b]indol-6-yl)carbazole-3-carbonitrile;1',5,11-tri(carbazol-9-yl)-6'-(3-pyrido[3,4-b]indol-9-ylcarbazol-9-yl)spiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-xanthene].

Molecular Properties

Compound Name5,11-di(carbazol-9-yl)-1'-(3-isocyanocarbazol-9-yl)-6'-(3-pyrido[3,4-b]indol-9-ylcarbazol-9-yl)spiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-xanthene];9-[9-[5,11-di(carbazol-9-yl)-8'-(3-isocyanocarbazol-9-yl)spiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-xanthene]-3'-yl]pyrido[3,4-b]indol-6-yl]carbazole-3-carbonitrile;9-(9-spiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-xanthene]-3'-ylpyrido[3,4-b]indol-6-yl)carbazole-3-carbonitrile;1',5,11-tri(carbazol-9-yl)-6'-(3-pyrido[3,4-b]indol-9-ylcarbazol-9-yl)spiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-xanthene]
PubChem CID161089097
Molecular FormulaC296H167N33O4
Molecular Weight4249.82 g/mol
Exact Mass4246.39
IUPAC Name5,11-di(carbazol-9-yl)-1'-(3-isocyanocarbazol-9-yl)-6'-(3-pyrido[3,4-b]indol-9-ylcarbazol-9-yl)spiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-xanthene];9-[9-[5,11-di(carbazol-9-yl)-8'-(3-isocyanocarbazol-9-yl)spiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-xanthene]-3'-yl]pyrido[3,4-b]indol-6-yl]carbazole-3-carbonitrile;9-(9-spiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-xanthene]-3'-ylpyrido[3,4-b]indol-6-yl)carbazole-3-carbonitrile;1',5,11-tri(carbazol-9-yl)-6'-(3-pyrido[3,4-b]indol-9-ylcarbazol-9-yl)spiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-xanthene]
SMILESN#Cc1ccc2c(c1)c1ccccc1n2-c1ccc2c(c1)c1ccncc1n2-c1ccc2c(c1)Oc1ccccc1C21c2cccnc2-c2ncccc21.[C-]#[N+]c1ccc2c(c1)c1ccccc1n2-c1cccc2c1C1(c3ccc(-n4c5ccc(-n6c7ccccc7c7cc(C#N)ccc76)cc5c5ccncc54)cc3O2)c2cc(-n3c4ccccc4c4ccccc43)cnc2-c2ncc(-n3c4ccccc4c4ccccc43)cc21.[C-]#[N+]c1ccc2c(c1)c1ccccc1n2-c1cccc2c1C1(c3ccc(-n4c5ccccc5c5cc(-n6c7ccccc7c7ccncc76)ccc54)cc3O2)c2cc(-n3c4ccccc4c4ccccc43)cnc2-c2ncc(-n3c4ccccc4c4ccccc43)cc21.c1cc2c(c(-n3c4ccccc4c4ccccc43)c1)C1(c3ccc(-n4c5ccccc5c5cc(-n6c7ccccc7c7ccncc76)ccc54)cc3O2)c2cc(-n3c4ccccc4c4ccccc43)cnc2-c2ncc(-n3c4ccccc4c4ccccc43)cc21
InChIInChI=1S/C84H46N10O.C83H47N9O.C82H48N8O.C47H26N6O/c1-86-50-30-35-76-63(40-50)60-20-7-13-26-73(60)94(76)77-27-14-28-79-81(77)84(65-33-31-52(44-80(65)95-79)91-75-36-32-51(41-64(75)61-37-38-87-48-78(61)91)90-72-25-12-6-19-59(72)62-39-49(45-85)29-34-74(62)90)66-42-53(92-68-21-8-2-15-55(68)56-16-3-9-22-69(56)92)46-88-82(66)83-67(84)43-54(47-89-83)93-70-23-10-4-17-57(70)58-18-5-11-24-71(58)93;1-84-49-33-37-75-62(41-49)59-22-8-15-30-73(59)92(75)76-31-16-32-78-80(76)83(64-36-34-51(45-79(64)93-78)88-72-29-14-7-23-60(72)63-42-50(35-38-74(63)88)89-67-24-9-6-21-58(67)61-39-40-85-48-77(61)89)65-43-52(90-68-25-10-2-17-54(68)55-18-3-11-26-69(55)90)46-86-81(65)82-66(83)44-53(47-87-82)91-70-27-12-4-19-56(70)57-20-5-13-28-71(57)91;1-10-27-67-53(18-1)54-19-2-11-28-68(54)88(67)51-43-64-80(84-46-51)81-65(44-52(47-85-81)89-69-29-12-3-20-55(69)56-21-4-13-30-70(56)89)82(64)63-38-36-50(45-78(63)91-77-35-17-34-75(79(77)82)90-72-32-15-6-22-57(72)58-23-7-16-33-73(58)90)86-71-31-14-8-25-60(71)62-42-49(37-39-74(62)86)87-66-26-9-5-24-59(66)61-40-41-83-48-76(61)87;48-26-28-13-17-40-33(23-28)31-7-1-3-11-39(31)52(40)29-15-18-41-34(24-29)32-19-22-49-27-42(32)53(41)30-14-16-36-44(25-30)54-43-12-4-2-8-35(43)47(36)37-9-5-20-50-45(37)46-38(47)10-6-21-51-46/h2-44,46-48H;2-48H;1-48H;1-25,27H
InChIKeyUGXVSYMMCMJGHY-UHFFFAOYSA-N
XLogP70.86
TPSA331.71 Ų
H-Bond Donors
H-Bond Acceptors35
Rotatable Bonds17
Heavy Atoms333
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5004249.82
LogP ≤ 570.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1035

Analyze 5,11-di(carbazol-9-yl)-1'-(3-isocyanocarbazol-9-yl)-6'-(3-pyrido[3,4-b]indol-9-ylcarbazol-9-yl)spiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-xanthene];9-[9-[5,11-di(carbazol-9-yl)-8'-(3-isocyanocarbazol-9-yl)spiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-xanthene]-3'-yl]pyrido[3,4-b]indol-6-yl]carbazole-3-carbonitrile;9-(9-spiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-xanthene]-3'-ylpyrido[3,4-b]indol-6-yl)carbazole-3-carbonitrile;1',5,11-tri(carbazol-9-yl)-6'-(3-pyrido[3,4-b]indol-9-ylcarbazol-9-yl)spiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-xanthene] with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5,11-di(carbazol-9-yl)-1'-(3-isocyanocarbazol-9-yl)-6'-(3-pyrido[3,4-b]indol-9-ylcarbazol-9-yl)spiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-xanthene];9-[9-[5,11-di(carbazol-9-yl)-8'-(3-isocyanocarbazol-9-yl)spiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-xanthene]-3'-yl]pyrido[3,4-b]indol-6-yl]carbazole-3-carbonitrile;9-(9-spiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-xanthene]-3'-ylpyrido[3,4-b]indol-6-yl)carbazole-3-carbonitrile;1',5,11-tri(carbazol-9-yl)-6'-(3-pyrido[3,4-b]indol-9-ylcarbazol-9-yl)spiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-xanthene]?
The IUPAC name of 5,11-di(carbazol-9-yl)-1'-(3-isocyanocarbazol-9-yl)-6'-(3-pyrido[3,4-b]indol-9-ylcarbazol-9-yl)spiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-xanthene];9-[9-[5,11-di(carbazol-9-yl)-8'-(3-isocyanocarbazol-9-yl)spiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-xanthene]-3'-yl]pyrido[3,4-b]indol-6-yl]carbazole-3-carbonitrile;9-(9-spiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-xanthene]-3'-ylpyrido[3,4-b]indol-6-yl)carbazole-3-carbonitrile;1',5,11-tri(carbazol-9-yl)-6'-(3-pyrido[3,4-b]indol-9-ylcarbazol-9-yl)spiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-xanthene] (CID 161089097) is 5,11-di(carbazol-9-yl)-1'-(3-isocyanocarbazol-9-yl)-6'-(3-pyrido[3,4-b]indol-9-ylcarbazol-9-yl)spiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-xanthene];9-[9-[5,11-di(carbazol-9-yl)-8'-(3-isocyanocarbazol-9-yl)spiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-xanthene]-3'-yl]pyrido[3,4-b]indol-6-yl]carbazole-3-carbonitrile;9-(9-spiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-xanthene]-3'-ylpyrido[3,4-b]indol-6-yl)carbazole-3-carbonitrile;1',5,11-tri(carbazol-9-yl)-6'-(3-pyrido[3,4-b]indol-9-ylcarbazol-9-yl)spiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-xanthene].
What is the SMILES notation for 5,11-di(carbazol-9-yl)-1'-(3-isocyanocarbazol-9-yl)-6'-(3-pyrido[3,4-b]indol-9-ylcarbazol-9-yl)spiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-xanthene];9-[9-[5,11-di(carbazol-9-yl)-8'-(3-isocyanocarbazol-9-yl)spiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-xanthene]-3'-yl]pyrido[3,4-b]indol-6-yl]carbazole-3-carbonitrile;9-(9-spiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-xanthene]-3'-ylpyrido[3,4-b]indol-6-yl)carbazole-3-carbonitrile;1',5,11-tri(carbazol-9-yl)-6'-(3-pyrido[3,4-b]indol-9-ylcarbazol-9-yl)spiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-xanthene]?
The canonical SMILES for 5,11-di(carbazol-9-yl)-1'-(3-isocyanocarbazol-9-yl)-6'-(3-pyrido[3,4-b]indol-9-ylcarbazol-9-yl)spiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-xanthene];9-[9-[5,11-di(carbazol-9-yl)-8'-(3-isocyanocarbazol-9-yl)spiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-xanthene]-3'-yl]pyrido[3,4-b]indol-6-yl]carbazole-3-carbonitrile;9-(9-spiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-xanthene]-3'-ylpyrido[3,4-b]indol-6-yl)carbazole-3-carbonitrile;1',5,11-tri(carbazol-9-yl)-6'-(3-pyrido[3,4-b]indol-9-ylcarbazol-9-yl)spiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-xanthene] is N#Cc1ccc2c(c1)c1ccccc1n2-c1ccc2c(c1)c1ccncc1n2-c1ccc2c(c1)Oc1ccccc1C21c2cccnc2-c2ncccc21.[C-]#[N+]c1ccc2c(c1)c1ccccc1n2-c1cccc2c1C1(c3ccc(-n4c5ccc(-n6c7ccccc7c7cc(C#N)ccc76)cc5c5ccncc54)cc3O2)c2cc(-n3c4ccccc4c4ccccc43)cnc2-c2ncc(-n3c4ccccc4c4ccccc43)cc21.[C-]#[N+]c1ccc2c(c1)c1ccccc1n2-c1cccc2c1C1(c3ccc(-n4c5ccccc5c5cc(-n6c7ccccc7c7ccncc76)ccc54)cc3O2)c2cc(-n3c4ccccc4c4ccccc43)cnc2-c2ncc(-n3c4ccccc4c4ccccc43)cc21.c1cc2c(c(-n3c4ccccc4c4ccccc43)c1)C1(c3ccc(-n4c5ccccc5c5cc(-n6c7ccccc7c7ccncc76)ccc54)cc3O2)c2cc(-n3c4ccccc4c4ccccc43)cnc2-c2ncc(-n3c4ccccc4c4ccccc43)cc21.
What is the InChIKey of 5,11-di(carbazol-9-yl)-1'-(3-isocyanocarbazol-9-yl)-6'-(3-pyrido[3,4-b]indol-9-ylcarbazol-9-yl)spiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-xanthene];9-[9-[5,11-di(carbazol-9-yl)-8'-(3-isocyanocarbazol-9-yl)spiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-xanthene]-3'-yl]pyrido[3,4-b]indol-6-yl]carbazole-3-carbonitrile;9-(9-spiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-xanthene]-3'-ylpyrido[3,4-b]indol-6-yl)carbazole-3-carbonitrile;1',5,11-tri(carbazol-9-yl)-6'-(3-pyrido[3,4-b]indol-9-ylcarbazol-9-yl)spiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-xanthene]?
The InChIKey is UGXVSYMMCMJGHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C84H46N10O.C83H47N9O.C82H48N8O.C47H26N6O/c1-86-50-30-35-76-63(40-50)60-20-7-13-26-73(60)94(76)77-27-14-28-79-81(77)84(65-33-31-52(44-80(65)95-79)91-75-36-32-51(41-64(75)61-37-38-87-48-78(61)91)90-72-25-12-6-19-59(72)62-39-49(45-85)29-34-74(62)90)66-42-53(92-68-21-8-2-15-55(68)56-16-3-9-22-69(56)92)46-88-82(66)83-67(84)43-54(47-89-83)93-70-23-10-4-17-57(70)58-18-5-11-24-71(58)93;1-84-49-33-37-75-62(41-49)59-22-8-15-30-73(59)92(75)76-31-16-32-78-80(76)83(64-36-34-51(45-79(64)93-78)88-72-29-14-7-23-60(72)63-42-50(35-38-74(63)88)89-67-24-9-6-21-58(67)61-39-40-85-48-77(61)89)65-43-52(90-68-25-10-2-17-54(68)55-18-3-11-26-69(55)90)46-86-81(65)82-66(83)44-53(47-87-82)91-70-27-12-4-19-56(70)57-20-5-13-28-71(57)91;1-10-27-67-53(18-1)54-19-2-11-28-68(54)88(67)51-43-64-80(84-46-51)81-65(44-52(47-85-81)89-69-29-12-3-20-55(69)56-21-4-13-30-70(56)89)82(64)63-38-36-50(45-78(63)91-77-35-17-34-75(79(77)82)90-72-32-15-6-22-57(72)58-23-7-16-33-73(58)90)86-71-31-14-8-25-60(71)62-42-49(37-39-74(62)86)87-66-26-9-5-24-59(66)61-40-41-83-48-76(61)87;48-26-28-13-17-40-33(23-28)31-7-1-3-11-39(31)52(40)29-15-18-41-34(24-29)32-19-22-49-27-42(32)53(41)30-14-16-36-44(25-30)54-43-12-4-2-8-35(43)47(36)37-9-5-20-50-45(37)46-38(47)10-6-21-51-46/h2-44,46-48H;2-48H;1-48H;1-25,27H.
What are the key properties of 5,11-di(carbazol-9-yl)-1'-(3-isocyanocarbazol-9-yl)-6'-(3-pyrido[3,4-b]indol-9-ylcarbazol-9-yl)spiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-xanthene];9-[9-[5,11-di(carbazol-9-yl)-8'-(3-isocyanocarbazol-9-yl)spiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-xanthene]-3'-yl]pyrido[3,4-b]indol-6-yl]carbazole-3-carbonitrile;9-(9-spiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-xanthene]-3'-ylpyrido[3,4-b]indol-6-yl)carbazole-3-carbonitrile;1',5,11-tri(carbazol-9-yl)-6'-(3-pyrido[3,4-b]indol-9-ylcarbazol-9-yl)spiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-xanthene]?
5,11-di(carbazol-9-yl)-1'-(3-isocyanocarbazol-9-yl)-6'-(3-pyrido[3,4-b]indol-9-ylcarbazol-9-yl)spiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-xanthene];9-[9-[5,11-di(carbazol-9-yl)-8'-(3-isocyanocarbazol-9-yl)spiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-xanthene]-3'-yl]pyrido[3,4-b]indol-6-yl]carbazole-3-carbonitrile;9-(9-spiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-xanthene]-3'-ylpyrido[3,4-b]indol-6-yl)carbazole-3-carbonitrile;1',5,11-tri(carbazol-9-yl)-6'-(3-pyrido[3,4-b]indol-9-ylcarbazol-9-yl)spiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-xanthene] has a molecular weight of 4249.82 g/mol, XLogP of 70.86, 17 rotatable bonds, 0 hydrogen bond donors, and 35 hydrogen bond acceptors.
Where does this data come from?
All data for 5,11-di(carbazol-9-yl)-1'-(3-isocyanocarbazol-9-yl)-6'-(3-pyrido[3,4-b]indol-9-ylcarbazol-9-yl)spiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-xanthene];9-[9-[5,11-di(carbazol-9-yl)-8'-(3-isocyanocarbazol-9-yl)spiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-xanthene]-3'-yl]pyrido[3,4-b]indol-6-yl]carbazole-3-carbonitrile;9-(9-spiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-xanthene]-3'-ylpyrido[3,4-b]indol-6-yl)carbazole-3-carbonitrile;1',5,11-tri(carbazol-9-yl)-6'-(3-pyrido[3,4-b]indol-9-ylcarbazol-9-yl)spiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-xanthene] is sourced from PubChem (CID 161089097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).