7-N',10-N'-bis(4-tert-butylphenyl)-7-N',10-N'-bis[3-(4-tert-butylphenyl)phenyl]-3-isocyanospiro[fluorene-9,12'-fluoreno[2,1-b][1]benzothiole]-7',10'-diamine;7-N',10-N'-bis(9,9-dimethylfluoren-2-yl)-7-N',10-N'-diphenylspiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,12'-fluoreno[2,1-b][1]benzofuran]-7',10'-diamine;3-N,7-N-bis(2,4-diphenylphenyl)-12,12-dimethyl-7-N-(4-methylphenyl)-5-phenyl-3-N-[4-(trifluoromethyl)phenyl]indeno[1,2-c]carbazole-3,7-diamine;9,9-dimethyl-12-N,17-N-bis(2,3,4,5,6-pentadeuteriophenyl)-12-N,17-N-diphenylspiro[7-azapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1,3(8),4,6,10,12,14(19),15,17-nonaene-20,9'-fluorene]-12,17-diamine

C289H222F3N13OS — CID 159610862

IUPAC7-N',10-N'-bis(4-tert-butylphenyl)-7-N',10-N'-bis[3-(4-tert-butylphenyl)phenyl]-3-isocyanospiro[fluorene-9,12'-fluoreno[2,1-b][1]benzothiole]-7',10'-diamine;7-N',10-N'-bis(9,9-dimethylfluoren-2-yl)-7-N',10-N'-diphenylspiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,12'-fluoreno[2,1-b][1]benzofuran]-7',10'-diamine;3-N,7-N-bis(2,4-diphenylphenyl)-12,12-dimethyl-7-N-(4-methylphenyl)-5-phenyl-3-N-[4-(trifluoromethyl)phenyl]indeno[1,2-c]carbazole-3,7-diamine;9,9-dimethyl-12-N,17-N-bis(2,3,4,5,6-pentadeuteriophenyl)-12-N,17-N-diphenylspiro[7-azapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1,3(8),4,6,10,12,14(19),15,17-nonaene-20,9'-fluorene]-12,17-diamine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccccc3)c3ccc4c(c3)C3(c5cccnc5-c5ncccc53)c3c-4c(N(c4ccccc4)c4ccc5c(c4)C(C)(C)c4ccccc4-5)cc4oc5ccccc5c34)cc21.Cc1ccc(N(c2ccc(-c3ccccc3)cc2-c2ccccc2)c2cc3c(c4c2-c2ccccc2C4(C)C)c2ccc(N(c4ccc(C(F)(F)F)cc4)c4ccc(-c5ccccc5)cc4-c4ccccc4)cc2n3-c2ccccc2)cc1.[2H]c1c([2H])c([2H])c(N(c2ccccc2)c2ccc3c(c2)C2(c4ccccc4-c4ccccc42)c2c-3c(N(c3ccccc3)c3c([2H])c([2H])c([2H])c([2H])c3[2H])cc3c2-c2cccnc2C3(C)C)c([2H])c1[2H].[C-]#[N+]c1ccc2c(c1)-c1ccccc1C21c2cc(N(c3ccc(C(C)(C)C)cc3)c3cccc(-c4ccc(C(C)(C)C)cc4)c3)ccc2-c2c(N(c3ccc(C(C)(C)C)cc3)c3cccc(-c4ccc(C(C)(C)C)cc4)c3)cc3sc4ccccc4c3c21
InChIInChI=1S/C84H75N3S.C77H56F3N3.C71H50N4O.C57H41N3/c1-80(2,3)57-32-28-53(29-33-57)55-20-18-22-64(48-55)86(62-41-36-59(37-42-62)82(7,8)9)66-45-46-68-73(51-66)84(71-26-16-14-24-67(71)70-50-61(85-13)40-47-72(70)84)79-77(68)74(52-76-78(79)69-25-15-17-27-75(69)88-76)87(63-43-38-60(39-44-63)83(10,11)12)65-23-19-21-56(49-65)54-30-34-58(35-31-54)81(4,5)6;1-51-33-39-61(40-34-51)82(69-46-36-57(53-23-11-5-12-24-53)48-66(69)55-27-15-7-16-28-55)71-50-72-74(75-73(71)63-31-19-20-32-67(63)76(75,2)3)64-44-43-62(49-70(64)83(72)59-29-17-8-18-30-59)81(60-41-37-58(38-42-60)77(78,79)80)68-45-35-56(52-21-9-4-10-22-52)47-65(68)54-25-13-6-14-26-54;1-69(2)54-26-14-11-23-48(54)50-34-31-45(39-58(50)69)74(43-19-7-5-8-20-43)46-33-36-52-60(41-46)71(56-28-17-37-72-67(56)68-57(71)29-18-38-73-68)66-64(52)61(42-63-65(66)53-25-13-16-30-62(53)76-63)75(44-21-9-6-10-22-44)47-32-35-51-49-24-12-15-27-55(49)70(3,4)59(51)40-47;1-56(2)50-37-51(60(40-24-11-5-12-25-40)41-26-13-6-14-27-41)53-45-34-33-42(59(38-20-7-3-8-21-38)39-22-9-4-10-23-39)36-49(45)57(54(53)52(50)46-30-19-35-58-55(46)56)47-31-17-15-28-43(47)44-29-16-18-32-48(44)57/h14-52H,1-12H3;4-50H,1-3H3;5-42H,1-4H3;3-37H,1-2H3/i;;;3D,5D,7D,8D,11D,12D,20D,21D,24D,25D
InChIKeyMMRCPTVXYMNKJE-FPBZVLIJSA-N
MW3992.17 g/mol
LogP79.38
Rot. Bonds31

About 7-N',10-N'-bis(4-tert-butylphenyl)-7-N',10-N'-bis[3-(4-tert-butylphenyl)phenyl]-3-isocyanospiro[fluorene-9,12'-fluoreno[2,1-b][1]benzothiole]-7',10'-diamine;7-N',10-N'-bis(9,9-dimethylfluoren-2-yl)-7-N',10-N'-diphenylspiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,12'-fluoreno[2,1-b][1]benzofuran]-7',10'-diamine;3-N,7-N-bis(2,4-diphenylphenyl)-12,12-dimethyl-7-N-(4-methylphenyl)-5-phenyl-3-N-[4-(trifluoromethyl)phenyl]indeno[1,2-c]carbazole-3,7-diamine;9,9-dimethyl-12-N,17-N-bis(2,3,4,5,6-pentadeuteriophenyl)-12-N,17-N-diphenylspiro[7-azapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1,3(8),4,6,10,12,14(19),15,17-nonaene-20,9'-fluorene]-12,17-diamine

7-N',10-N'-bis(4-tert-butylphenyl)-7-N',10-N'-bis[3-(4-tert-butylphenyl)phenyl]-3-isocyanospiro[fluorene-9,12'-fluoreno[2,1-b][1]benzothiole]-7',10'-diamine;7-N',10-N'-bis(9,9-dimethylfluoren-2-yl)-7-N',10-N'-diphenylspiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,12'-fluoreno[2,1-b][1]benzofuran]-7',10'-diamine;3-N,7-N-bis(2,4-diphenylphenyl)-12,12-dimethyl-7-N-(4-methylphenyl)-5-phenyl-3-N-[4-(trifluoromethyl)phenyl]indeno[1,2-c]carbazole-3,7-diamine;9,9-dimethyl-12-N,17-N-bis(2,3,4,5,6-pentadeuteriophenyl)-12-N,17-N-diphenylspiro[7-azapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1,3(8),4,6,10,12,14(19),15,17-nonaene-20,9'-fluorene]-12,17-diamine (PubChem CID 159610862) has the molecular formula C289H222F3N13OS and a molecular weight of 3992.17 g/mol. Its IUPAC name is 7-N',10-N'-bis(4-tert-butylphenyl)-7-N',10-N'-bis[3-(4-tert-butylphenyl)phenyl]-3-isocyanospiro[fluorene-9,12'-fluoreno[2,1-b][1]benzothiole]-7',10'-diamine;7-N',10-N'-bis(9,9-dimethylfluoren-2-yl)-7-N',10-N'-diphenylspiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,12'-fluoreno[2,1-b][1]benzofuran]-7',10'-diamine;3-N,7-N-bis(2,4-diphenylphenyl)-12,12-dimethyl-7-N-(4-methylphenyl)-5-phenyl-3-N-[4-(trifluoromethyl)phenyl]indeno[1,2-c]carbazole-3,7-diamine;9,9-dimethyl-12-N,17-N-bis(2,3,4,5,6-pentadeuteriophenyl)-12-N,17-N-diphenylspiro[7-azapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1,3(8),4,6,10,12,14(19),15,17-nonaene-20,9'-fluorene]-12,17-diamine.

Molecular Properties

Compound Name7-N',10-N'-bis(4-tert-butylphenyl)-7-N',10-N'-bis[3-(4-tert-butylphenyl)phenyl]-3-isocyanospiro[fluorene-9,12'-fluoreno[2,1-b][1]benzothiole]-7',10'-diamine;7-N',10-N'-bis(9,9-dimethylfluoren-2-yl)-7-N',10-N'-diphenylspiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,12'-fluoreno[2,1-b][1]benzofuran]-7',10'-diamine;3-N,7-N-bis(2,4-diphenylphenyl)-12,12-dimethyl-7-N-(4-methylphenyl)-5-phenyl-3-N-[4-(trifluoromethyl)phenyl]indeno[1,2-c]carbazole-3,7-diamine;9,9-dimethyl-12-N,17-N-bis(2,3,4,5,6-pentadeuteriophenyl)-12-N,17-N-diphenylspiro[7-azapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1,3(8),4,6,10,12,14(19),15,17-nonaene-20,9'-fluorene]-12,17-diamine
PubChem CID159610862
Molecular FormulaC289H222F3N13OS
Molecular Weight3992.17 g/mol
Exact Mass3988.80
IUPAC Name7-N',10-N'-bis(4-tert-butylphenyl)-7-N',10-N'-bis[3-(4-tert-butylphenyl)phenyl]-3-isocyanospiro[fluorene-9,12'-fluoreno[2,1-b][1]benzothiole]-7',10'-diamine;7-N',10-N'-bis(9,9-dimethylfluoren-2-yl)-7-N',10-N'-diphenylspiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,12'-fluoreno[2,1-b][1]benzofuran]-7',10'-diamine;3-N,7-N-bis(2,4-diphenylphenyl)-12,12-dimethyl-7-N-(4-methylphenyl)-5-phenyl-3-N-[4-(trifluoromethyl)phenyl]indeno[1,2-c]carbazole-3,7-diamine;9,9-dimethyl-12-N,17-N-bis(2,3,4,5,6-pentadeuteriophenyl)-12-N,17-N-diphenylspiro[7-azapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1,3(8),4,6,10,12,14(19),15,17-nonaene-20,9'-fluorene]-12,17-diamine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccccc3)c3ccc4c(c3)C3(c5cccnc5-c5ncccc53)c3c-4c(N(c4ccccc4)c4ccc5c(c4)C(C)(C)c4ccccc4-5)cc4oc5ccccc5c34)cc21.Cc1ccc(N(c2ccc(-c3ccccc3)cc2-c2ccccc2)c2cc3c(c4c2-c2ccccc2C4(C)C)c2ccc(N(c4ccc(C(F)(F)F)cc4)c4ccc(-c5ccccc5)cc4-c4ccccc4)cc2n3-c2ccccc2)cc1.[2H]c1c([2H])c([2H])c(N(c2ccccc2)c2ccc3c(c2)C2(c4ccccc4-c4ccccc42)c2c-3c(N(c3ccccc3)c3c([2H])c([2H])c([2H])c([2H])c3[2H])cc3c2-c2cccnc2C3(C)C)c([2H])c1[2H].[C-]#[N+]c1ccc2c(c1)-c1ccccc1C21c2cc(N(c3ccc(C(C)(C)C)cc3)c3cccc(-c4ccc(C(C)(C)C)cc4)c3)ccc2-c2c(N(c3ccc(C(C)(C)C)cc3)c3cccc(-c4ccc(C(C)(C)C)cc4)c3)cc3sc4ccccc4c3c21
InChIInChI=1S/C84H75N3S.C77H56F3N3.C71H50N4O.C57H41N3/c1-80(2,3)57-32-28-53(29-33-57)55-20-18-22-64(48-55)86(62-41-36-59(37-42-62)82(7,8)9)66-45-46-68-73(51-66)84(71-26-16-14-24-67(71)70-50-61(85-13)40-47-72(70)84)79-77(68)74(52-76-78(79)69-25-15-17-27-75(69)88-76)87(63-43-38-60(39-44-63)83(10,11)12)65-23-19-21-56(49-65)54-30-34-58(35-31-54)81(4,5)6;1-51-33-39-61(40-34-51)82(69-46-36-57(53-23-11-5-12-24-53)48-66(69)55-27-15-7-16-28-55)71-50-72-74(75-73(71)63-31-19-20-32-67(63)76(75,2)3)64-44-43-62(49-70(64)83(72)59-29-17-8-18-30-59)81(60-41-37-58(38-42-60)77(78,79)80)68-45-35-56(52-21-9-4-10-22-52)47-65(68)54-25-13-6-14-26-54;1-69(2)54-26-14-11-23-48(54)50-34-31-45(39-58(50)69)74(43-19-7-5-8-20-43)46-33-36-52-60(41-46)71(56-28-17-37-72-67(56)68-57(71)29-18-38-73-68)66-64(52)61(42-63-65(66)53-25-13-16-30-62(53)76-63)75(44-21-9-6-10-22-44)47-32-35-51-49-24-12-15-27-55(49)70(3,4)59(51)40-47;1-56(2)50-37-51(60(40-24-11-5-12-25-40)41-26-13-6-14-27-41)53-45-34-33-42(59(38-20-7-3-8-21-38)39-22-9-4-10-23-39)36-49(45)57(54(53)52(50)46-30-19-35-58-55(46)56)47-31-17-15-28-43(47)44-29-16-18-32-48(44)57/h14-52H,1-12H3;4-50H,1-3H3;5-42H,1-4H3;3-37H,1-2H3/i;;;3D,5D,7D,8D,11D,12D,20D,21D,24D,25D
InChIKeyMMRCPTVXYMNKJE-FPBZVLIJSA-N
XLogP79.38
TPSA87.02 Ų
H-Bond Donors
H-Bond Acceptors14
Rotatable Bonds31
Heavy Atoms307
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003992.17
LogP ≤ 579.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1014

Analyze 7-N',10-N'-bis(4-tert-butylphenyl)-7-N',10-N'-bis[3-(4-tert-butylphenyl)phenyl]-3-isocyanospiro[fluorene-9,12'-fluoreno[2,1-b][1]benzothiole]-7',10'-diamine;7-N',10-N'-bis(9,9-dimethylfluoren-2-yl)-7-N',10-N'-diphenylspiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,12'-fluoreno[2,1-b][1]benzofuran]-7',10'-diamine;3-N,7-N-bis(2,4-diphenylphenyl)-12,12-dimethyl-7-N-(4-methylphenyl)-5-phenyl-3-N-[4-(trifluoromethyl)phenyl]indeno[1,2-c]carbazole-3,7-diamine;9,9-dimethyl-12-N,17-N-bis(2,3,4,5,6-pentadeuteriophenyl)-12-N,17-N-diphenylspiro[7-azapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1,3(8),4,6,10,12,14(19),15,17-nonaene-20,9'-fluorene]-12,17-diamine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 7-N',10-N'-bis(4-tert-butylphenyl)-7-N',10-N'-bis[3-(4-tert-butylphenyl)phenyl]-3-isocyanospiro[fluorene-9,12'-fluoreno[2,1-b][1]benzothiole]-7',10'-diamine;7-N',10-N'-bis(9,9-dimethylfluoren-2-yl)-7-N',10-N'-diphenylspiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,12'-fluoreno[2,1-b][1]benzofuran]-7',10'-diamine;3-N,7-N-bis(2,4-diphenylphenyl)-12,12-dimethyl-7-N-(4-methylphenyl)-5-phenyl-3-N-[4-(trifluoromethyl)phenyl]indeno[1,2-c]carbazole-3,7-diamine;9,9-dimethyl-12-N,17-N-bis(2,3,4,5,6-pentadeuteriophenyl)-12-N,17-N-diphenylspiro[7-azapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1,3(8),4,6,10,12,14(19),15,17-nonaene-20,9'-fluorene]-12,17-diamine?
The IUPAC name of 7-N',10-N'-bis(4-tert-butylphenyl)-7-N',10-N'-bis[3-(4-tert-butylphenyl)phenyl]-3-isocyanospiro[fluorene-9,12'-fluoreno[2,1-b][1]benzothiole]-7',10'-diamine;7-N',10-N'-bis(9,9-dimethylfluoren-2-yl)-7-N',10-N'-diphenylspiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,12'-fluoreno[2,1-b][1]benzofuran]-7',10'-diamine;3-N,7-N-bis(2,4-diphenylphenyl)-12,12-dimethyl-7-N-(4-methylphenyl)-5-phenyl-3-N-[4-(trifluoromethyl)phenyl]indeno[1,2-c]carbazole-3,7-diamine;9,9-dimethyl-12-N,17-N-bis(2,3,4,5,6-pentadeuteriophenyl)-12-N,17-N-diphenylspiro[7-azapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1,3(8),4,6,10,12,14(19),15,17-nonaene-20,9'-fluorene]-12,17-diamine (CID 159610862) is 7-N',10-N'-bis(4-tert-butylphenyl)-7-N',10-N'-bis[3-(4-tert-butylphenyl)phenyl]-3-isocyanospiro[fluorene-9,12'-fluoreno[2,1-b][1]benzothiole]-7',10'-diamine;7-N',10-N'-bis(9,9-dimethylfluoren-2-yl)-7-N',10-N'-diphenylspiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,12'-fluoreno[2,1-b][1]benzofuran]-7',10'-diamine;3-N,7-N-bis(2,4-diphenylphenyl)-12,12-dimethyl-7-N-(4-methylphenyl)-5-phenyl-3-N-[4-(trifluoromethyl)phenyl]indeno[1,2-c]carbazole-3,7-diamine;9,9-dimethyl-12-N,17-N-bis(2,3,4,5,6-pentadeuteriophenyl)-12-N,17-N-diphenylspiro[7-azapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1,3(8),4,6,10,12,14(19),15,17-nonaene-20,9'-fluorene]-12,17-diamine.
What is the SMILES notation for 7-N',10-N'-bis(4-tert-butylphenyl)-7-N',10-N'-bis[3-(4-tert-butylphenyl)phenyl]-3-isocyanospiro[fluorene-9,12'-fluoreno[2,1-b][1]benzothiole]-7',10'-diamine;7-N',10-N'-bis(9,9-dimethylfluoren-2-yl)-7-N',10-N'-diphenylspiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,12'-fluoreno[2,1-b][1]benzofuran]-7',10'-diamine;3-N,7-N-bis(2,4-diphenylphenyl)-12,12-dimethyl-7-N-(4-methylphenyl)-5-phenyl-3-N-[4-(trifluoromethyl)phenyl]indeno[1,2-c]carbazole-3,7-diamine;9,9-dimethyl-12-N,17-N-bis(2,3,4,5,6-pentadeuteriophenyl)-12-N,17-N-diphenylspiro[7-azapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1,3(8),4,6,10,12,14(19),15,17-nonaene-20,9'-fluorene]-12,17-diamine?
The canonical SMILES for 7-N',10-N'-bis(4-tert-butylphenyl)-7-N',10-N'-bis[3-(4-tert-butylphenyl)phenyl]-3-isocyanospiro[fluorene-9,12'-fluoreno[2,1-b][1]benzothiole]-7',10'-diamine;7-N',10-N'-bis(9,9-dimethylfluoren-2-yl)-7-N',10-N'-diphenylspiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,12'-fluoreno[2,1-b][1]benzofuran]-7',10'-diamine;3-N,7-N-bis(2,4-diphenylphenyl)-12,12-dimethyl-7-N-(4-methylphenyl)-5-phenyl-3-N-[4-(trifluoromethyl)phenyl]indeno[1,2-c]carbazole-3,7-diamine;9,9-dimethyl-12-N,17-N-bis(2,3,4,5,6-pentadeuteriophenyl)-12-N,17-N-diphenylspiro[7-azapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1,3(8),4,6,10,12,14(19),15,17-nonaene-20,9'-fluorene]-12,17-diamine is CC1(C)c2ccccc2-c2ccc(N(c3ccccc3)c3ccc4c(c3)C3(c5cccnc5-c5ncccc53)c3c-4c(N(c4ccccc4)c4ccc5c(c4)C(C)(C)c4ccccc4-5)cc4oc5ccccc5c34)cc21.Cc1ccc(N(c2ccc(-c3ccccc3)cc2-c2ccccc2)c2cc3c(c4c2-c2ccccc2C4(C)C)c2ccc(N(c4ccc(C(F)(F)F)cc4)c4ccc(-c5ccccc5)cc4-c4ccccc4)cc2n3-c2ccccc2)cc1.[2H]c1c([2H])c([2H])c(N(c2ccccc2)c2ccc3c(c2)C2(c4ccccc4-c4ccccc42)c2c-3c(N(c3ccccc3)c3c([2H])c([2H])c([2H])c([2H])c3[2H])cc3c2-c2cccnc2C3(C)C)c([2H])c1[2H].[C-]#[N+]c1ccc2c(c1)-c1ccccc1C21c2cc(N(c3ccc(C(C)(C)C)cc3)c3cccc(-c4ccc(C(C)(C)C)cc4)c3)ccc2-c2c(N(c3ccc(C(C)(C)C)cc3)c3cccc(-c4ccc(C(C)(C)C)cc4)c3)cc3sc4ccccc4c3c21.
What is the InChIKey of 7-N',10-N'-bis(4-tert-butylphenyl)-7-N',10-N'-bis[3-(4-tert-butylphenyl)phenyl]-3-isocyanospiro[fluorene-9,12'-fluoreno[2,1-b][1]benzothiole]-7',10'-diamine;7-N',10-N'-bis(9,9-dimethylfluoren-2-yl)-7-N',10-N'-diphenylspiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,12'-fluoreno[2,1-b][1]benzofuran]-7',10'-diamine;3-N,7-N-bis(2,4-diphenylphenyl)-12,12-dimethyl-7-N-(4-methylphenyl)-5-phenyl-3-N-[4-(trifluoromethyl)phenyl]indeno[1,2-c]carbazole-3,7-diamine;9,9-dimethyl-12-N,17-N-bis(2,3,4,5,6-pentadeuteriophenyl)-12-N,17-N-diphenylspiro[7-azapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1,3(8),4,6,10,12,14(19),15,17-nonaene-20,9'-fluorene]-12,17-diamine?
The InChIKey is MMRCPTVXYMNKJE-FPBZVLIJSA-N. The full InChI is InChI=1S/C84H75N3S.C77H56F3N3.C71H50N4O.C57H41N3/c1-80(2,3)57-32-28-53(29-33-57)55-20-18-22-64(48-55)86(62-41-36-59(37-42-62)82(7,8)9)66-45-46-68-73(51-66)84(71-26-16-14-24-67(71)70-50-61(85-13)40-47-72(70)84)79-77(68)74(52-76-78(79)69-25-15-17-27-75(69)88-76)87(63-43-38-60(39-44-63)83(10,11)12)65-23-19-21-56(49-65)54-30-34-58(35-31-54)81(4,5)6;1-51-33-39-61(40-34-51)82(69-46-36-57(53-23-11-5-12-24-53)48-66(69)55-27-15-7-16-28-55)71-50-72-74(75-73(71)63-31-19-20-32-67(63)76(75,2)3)64-44-43-62(49-70(64)83(72)59-29-17-8-18-30-59)81(60-41-37-58(38-42-60)77(78,79)80)68-45-35-56(52-21-9-4-10-22-52)47-65(68)54-25-13-6-14-26-54;1-69(2)54-26-14-11-23-48(54)50-34-31-45(39-58(50)69)74(43-19-7-5-8-20-43)46-33-36-52-60(41-46)71(56-28-17-37-72-67(56)68-57(71)29-18-38-73-68)66-64(52)61(42-63-65(66)53-25-13-16-30-62(53)76-63)75(44-21-9-6-10-22-44)47-32-35-51-49-24-12-15-27-55(49)70(3,4)59(51)40-47;1-56(2)50-37-51(60(40-24-11-5-12-25-40)41-26-13-6-14-27-41)53-45-34-33-42(59(38-20-7-3-8-21-38)39-22-9-4-10-23-39)36-49(45)57(54(53)52(50)46-30-19-35-58-55(46)56)47-31-17-15-28-43(47)44-29-16-18-32-48(44)57/h14-52H,1-12H3;4-50H,1-3H3;5-42H,1-4H3;3-37H,1-2H3/i;;;3D,5D,7D,8D,11D,12D,20D,21D,24D,25D.
What are the key properties of 7-N',10-N'-bis(4-tert-butylphenyl)-7-N',10-N'-bis[3-(4-tert-butylphenyl)phenyl]-3-isocyanospiro[fluorene-9,12'-fluoreno[2,1-b][1]benzothiole]-7',10'-diamine;7-N',10-N'-bis(9,9-dimethylfluoren-2-yl)-7-N',10-N'-diphenylspiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,12'-fluoreno[2,1-b][1]benzofuran]-7',10'-diamine;3-N,7-N-bis(2,4-diphenylphenyl)-12,12-dimethyl-7-N-(4-methylphenyl)-5-phenyl-3-N-[4-(trifluoromethyl)phenyl]indeno[1,2-c]carbazole-3,7-diamine;9,9-dimethyl-12-N,17-N-bis(2,3,4,5,6-pentadeuteriophenyl)-12-N,17-N-diphenylspiro[7-azapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1,3(8),4,6,10,12,14(19),15,17-nonaene-20,9'-fluorene]-12,17-diamine?
7-N',10-N'-bis(4-tert-butylphenyl)-7-N',10-N'-bis[3-(4-tert-butylphenyl)phenyl]-3-isocyanospiro[fluorene-9,12'-fluoreno[2,1-b][1]benzothiole]-7',10'-diamine;7-N',10-N'-bis(9,9-dimethylfluoren-2-yl)-7-N',10-N'-diphenylspiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,12'-fluoreno[2,1-b][1]benzofuran]-7',10'-diamine;3-N,7-N-bis(2,4-diphenylphenyl)-12,12-dimethyl-7-N-(4-methylphenyl)-5-phenyl-3-N-[4-(trifluoromethyl)phenyl]indeno[1,2-c]carbazole-3,7-diamine;9,9-dimethyl-12-N,17-N-bis(2,3,4,5,6-pentadeuteriophenyl)-12-N,17-N-diphenylspiro[7-azapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1,3(8),4,6,10,12,14(19),15,17-nonaene-20,9'-fluorene]-12,17-diamine has a molecular weight of 3992.17 g/mol, XLogP of 79.38, 31 rotatable bonds, 0 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 7-N',10-N'-bis(4-tert-butylphenyl)-7-N',10-N'-bis[3-(4-tert-butylphenyl)phenyl]-3-isocyanospiro[fluorene-9,12'-fluoreno[2,1-b][1]benzothiole]-7',10'-diamine;7-N',10-N'-bis(9,9-dimethylfluoren-2-yl)-7-N',10-N'-diphenylspiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,12'-fluoreno[2,1-b][1]benzofuran]-7',10'-diamine;3-N,7-N-bis(2,4-diphenylphenyl)-12,12-dimethyl-7-N-(4-methylphenyl)-5-phenyl-3-N-[4-(trifluoromethyl)phenyl]indeno[1,2-c]carbazole-3,7-diamine;9,9-dimethyl-12-N,17-N-bis(2,3,4,5,6-pentadeuteriophenyl)-12-N,17-N-diphenylspiro[7-azapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1,3(8),4,6,10,12,14(19),15,17-nonaene-20,9'-fluorene]-12,17-diamine is sourced from PubChem (CID 159610862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).