4-N',10-N'-bis(4-tert-butylphenyl)-4-N',10-N'-bis[3-(4-tert-butylphenyl)phenyl]-3-isocyanospiro[fluorene-9,12'-fluoreno[2,1-b][1]benzothiole]-4',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;5-N,12-N-bis[3-(2-fluoro-4-phenylphenyl)phenyl]-20,20-dimethyl-5-N,12-N-bis(3-phenylphenyl)-9-thia-17-azapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3(8),4,6,11,14(19),15,17-nonaene-5,12-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

C369H277F5N16OS2 — CID 160587743

About 4-N',10-N'-bis(4-tert-butylphenyl)-4-N',10-N'-bis[3-(4-tert-butylphenyl)phenyl]-3-isocyanospiro[fluorene-9,12'-fluoreno[2,1-b][1]benzothiole]-4',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;5-N,12-N-bis[3-(2-fluoro-4-phenylphenyl)phenyl]-20,20-dimethyl-5-N,12-N-bis(3-phenylphenyl)-9-thia-17-azapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3(8),4,6,11,14(19),15,17-nonaene-5,12-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

4-N',10-N'-bis(4-tert-butylphenyl)-4-N',10-N'-bis[3-(4-tert-butylphenyl)phenyl]-3-isocyanospiro[fluorene-9,12'-fluoreno[2,1-b][1]benzothiole]-4',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;5-N,12-N-bis[3-(2-fluoro-4-phenylphenyl)phenyl]-20,20-dimethyl-5-N,12-N-bis(3-phenylphenyl)-9-thia-17-azapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3(8),4,6,11,14(19),15,17-nonaene-5,12-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 160587743) has the molecular formula C369H277F5N16OS2 and a molecular weight of 5120.57 g/mol. Its IUPAC name is 4-N',10-N'-bis(4-tert-butylphenyl)-4-N',10-N'-bis[3-(4-tert-butylphenyl)phenyl]-3-isocyanospiro[fluorene-9,12'-fluoreno[2,1-b][1]benzothiole]-4',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;5-N,12-N-bis[3-(2-fluoro-4-phenylphenyl)phenyl]-20,20-dimethyl-5-N,12-N-bis(3-phenylphenyl)-9-thia-17-azapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3(8),4,6,11,14(19),15,17-nonaene-5,12-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 Name: 4-N',10-N'-bis(4-tert-butylphenyl)-4-N',10-N'-bis[3-(4-tert-butylphenyl)phenyl]-3-isocyanospiro[fluorene-9,12'-fluoreno[2,1-b][1]benzothiole]-4',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;5-N,12-N-bis[3-(2-fluoro-4-phenylphenyl)phenyl]-20,20-dimethyl-5-N,12-N-bis(3-phenylphenyl)-9-thia-17-azapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3(8),4,6,11,14(19),15,17-nonaene-5,12-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: 160587743
• Molecular Formula: C369H277F5N16OS2
• Molecular Weight: 5120.57 g/mol
• Exact Mass: 5116.21
• IUPAC Name: 4-N',10-N'-bis(4-tert-butylphenyl)-4-N',10-N'-bis[3-(4-tert-butylphenyl)phenyl]-3-isocyanospiro[fluorene-9,12'-fluoreno[2,1-b][1]benzothiole]-4',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;5-N,12-N-bis[3-(2-fluoro-4-phenylphenyl)phenyl]-20,20-dimethyl-5-N,12-N-bis(3-phenylphenyl)-9-thia-17-azapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3(8),4,6,11,14(19),15,17-nonaene-5,12-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
• SMILES: CC1(C)c2ccccc2-c2ccc(N(c3ccccc3)c3ccc4c(c3)C3(c5cccnc5-c5ncccc53)c3c-4c(N(c4ccccc4)c4ccc5c(c4)C(C)(C)c4ccccc4-5)cc4oc5ccccc5c34)cc21.CC1(C)c2cnccc2-c2c(N(c3cccc(-c4ccccc4)c3)c3cccc(-c4ccc(-c5ccccc5)cc4F)c3)cc3sc4ccc(N(c5cccc(-c6ccccc6)c5)c5cccc(-c6ccc(-c7ccccc7)cc6F)c5)cc4c3c21.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-c2ccc3sc4c(N(c5ccc(C(C)(C)C)cc5)c5cccc(-c6ccc(C(C)(C)C)cc6)c5)cccc4c3c21
• InChI: InChI=1S/C84H75N3S.C80H55F2N3S.C77H56F3N3.C71H50N4O.C57H41N3/c1-80(2,3)57-31-27-53(28-32-57)55-19-16-21-64(49-55)86(62-40-35-59(36-41-62)82(7,8)9)66-44-45-68-69-46-48-76-77(78(69)84(74(68)52-66)72-25-15-14-23-67(72)71-51-61(85-13)39-47-73(71)84)70-24-18-26-75(79(70)88-76)87(63-42-37-60(38-43-63)83(10,11)12)65-22-17-20-56(50-65)54-29-33-58(34-30-54)81(4,5)6;1-80(2)71-51-83-42-41-69(71)77-74(85(64-33-16-28-57(44-64)53-21-9-4-10-22-53)65-34-18-30-61(46-65)68-39-36-59(48-73(68)82)55-25-13-6-14-26-55)50-76-78(79(77)80)70-49-66(37-40-75(70)86-76)84(62-31-15-27-56(43-62)52-19-7-3-8-20-52)63-32-17-29-60(45-63)67-38-35-58(47-72(67)81)54-23-11-5-12-24-54;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;3-51H,1-2H3;4-50H,1-3H3;5-42H,1-4H3;3-37H,1-2H3/i;;;;3D,5D,7D,8D,11D,12D,20D,21D,24D,25D
• InChIKey: RCPMJZHMGZGLSS-IWKPQSBESA-N
• XLogP: 102.36
• TPSA: 106.39 Ų
• H-Bond Acceptors: 18
• Rotatable Bonds: 43
• Heavy Atoms: 393
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	5120.57
LogP ≤ 5	102.36
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	18

Frequently Asked Questions

What is the IUPAC name of 4-N',10-N'-bis(4-tert-butylphenyl)-4-N',10-N'-bis[3-(4-tert-butylphenyl)phenyl]-3-isocyanospiro[fluorene-9,12'-fluoreno[2,1-b][1]benzothiole]-4',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;5-N,12-N-bis[3-(2-fluoro-4-phenylphenyl)phenyl]-20,20-dimethyl-5-N,12-N-bis(3-phenylphenyl)-9-thia-17-azapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3(8),4,6,11,14(19),15,17-nonaene-5,12-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 4-N',10-N'-bis(4-tert-butylphenyl)-4-N',10-N'-bis[3-(4-tert-butylphenyl)phenyl]-3-isocyanospiro[fluorene-9,12'-fluoreno[2,1-b][1]benzothiole]-4',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;5-N,12-N-bis[3-(2-fluoro-4-phenylphenyl)phenyl]-20,20-dimethyl-5-N,12-N-bis(3-phenylphenyl)-9-thia-17-azapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3(8),4,6,11,14(19),15,17-nonaene-5,12-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 160587743) is 4-N',10-N'-bis(4-tert-butylphenyl)-4-N',10-N'-bis[3-(4-tert-butylphenyl)phenyl]-3-isocyanospiro[fluorene-9,12'-fluoreno[2,1-b][1]benzothiole]-4',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;5-N,12-N-bis[3-(2-fluoro-4-phenylphenyl)phenyl]-20,20-dimethyl-5-N,12-N-bis(3-phenylphenyl)-9-thia-17-azapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3(8),4,6,11,14(19),15,17-nonaene-5,12-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 4-N',10-N'-bis(4-tert-butylphenyl)-4-N',10-N'-bis[3-(4-tert-butylphenyl)phenyl]-3-isocyanospiro[fluorene-9,12'-fluoreno[2,1-b][1]benzothiole]-4',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;5-N,12-N-bis[3-(2-fluoro-4-phenylphenyl)phenyl]-20,20-dimethyl-5-N,12-N-bis(3-phenylphenyl)-9-thia-17-azapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3(8),4,6,11,14(19),15,17-nonaene-5,12-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 4-N',10-N'-bis(4-tert-butylphenyl)-4-N',10-N'-bis[3-(4-tert-butylphenyl)phenyl]-3-isocyanospiro[fluorene-9,12'-fluoreno[2,1-b][1]benzothiole]-4',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;5-N,12-N-bis[3-(2-fluoro-4-phenylphenyl)phenyl]-20,20-dimethyl-5-N,12-N-bis(3-phenylphenyl)-9-thia-17-azapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3(8),4,6,11,14(19),15,17-nonaene-5,12-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.CC1(C)c2cnccc2-c2c(N(c3cccc(-c4ccccc4)c3)c3cccc(-c4ccc(-c5ccccc5)cc4F)c3)cc3sc4ccc(N(c5cccc(-c6ccccc6)c5)c5cccc(-c6ccc(-c7ccccc7)cc6F)c5)cc4c3c21.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-c2ccc3sc4c(N(c5ccc(C(C)(C)C)cc5)c5cccc(-c6ccc(C(C)(C)C)cc6)c5)cccc4c3c21.

What is the InChIKey of 4-N',10-N'-bis(4-tert-butylphenyl)-4-N',10-N'-bis[3-(4-tert-butylphenyl)phenyl]-3-isocyanospiro[fluorene-9,12'-fluoreno[2,1-b][1]benzothiole]-4',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;5-N,12-N-bis[3-(2-fluoro-4-phenylphenyl)phenyl]-20,20-dimethyl-5-N,12-N-bis(3-phenylphenyl)-9-thia-17-azapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3(8),4,6,11,14(19),15,17-nonaene-5,12-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 RCPMJZHMGZGLSS-IWKPQSBESA-N. The full InChI is InChI=1S/C84H75N3S.C80H55F2N3S.C77H56F3N3.C71H50N4O.C57H41N3/c1-80(2,3)57-31-27-53(28-32-57)55-19-16-21-64(49-55)86(62-40-35-59(36-41-62)82(7,8)9)66-44-45-68-69-46-48-76-77(78(69)84(74(68)52-66)72-25-15-14-23-67(72)71-51-61(85-13)39-47-73(71)84)70-24-18-26-75(79(70)88-76)87(63-42-37-60(38-43-63)83(10,11)12)65-22-17-20-56(50-65)54-29-33-58(34-30-54)81(4,5)6;1-80(2)71-51-83-42-41-69(71)77-74(85(64-33-16-28-57(44-64)53-21-9-4-10-22-53)65-34-18-30-61(46-65)68-39-36-59(48-73(68)82)55-25-13-6-14-26-55)50-76-78(79(77)80)70-49-66(37-40-75(70)86-76)84(62-31-15-27-56(43-62)52-19-7-3-8-20-52)63-32-17-29-60(45-63)67-38-35-58(47-72(67)81)54-23-11-5-12-24-54;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;3-51H,1-2H3;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 4-N',10-N'-bis(4-tert-butylphenyl)-4-N',10-N'-bis[3-(4-tert-butylphenyl)phenyl]-3-isocyanospiro[fluorene-9,12'-fluoreno[2,1-b][1]benzothiole]-4',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;5-N,12-N-bis[3-(2-fluoro-4-phenylphenyl)phenyl]-20,20-dimethyl-5-N,12-N-bis(3-phenylphenyl)-9-thia-17-azapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3(8),4,6,11,14(19),15,17-nonaene-5,12-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?

4-N',10-N'-bis(4-tert-butylphenyl)-4-N',10-N'-bis[3-(4-tert-butylphenyl)phenyl]-3-isocyanospiro[fluorene-9,12'-fluoreno[2,1-b][1]benzothiole]-4',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;5-N,12-N-bis[3-(2-fluoro-4-phenylphenyl)phenyl]-20,20-dimethyl-5-N,12-N-bis(3-phenylphenyl)-9-thia-17-azapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3(8),4,6,11,14(19),15,17-nonaene-5,12-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 5120.57 g/mol, XLogP of 102.36, 43 rotatable bonds, 0 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for 4-N',10-N'-bis(4-tert-butylphenyl)-4-N',10-N'-bis[3-(4-tert-butylphenyl)phenyl]-3-isocyanospiro[fluorene-9,12'-fluoreno[2,1-b][1]benzothiole]-4',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;5-N,12-N-bis[3-(2-fluoro-4-phenylphenyl)phenyl]-20,20-dimethyl-5-N,12-N-bis(3-phenylphenyl)-9-thia-17-azapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3(8),4,6,11,14(19),15,17-nonaene-5,12-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 160587743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).