N-dibenzothiophen-2-yl-N-(3,5-diphenylphenyl)-10,14-dithiapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15,17,19-nonaen-6-amine;N-dibenzothiophen-2-yl-N-[3-(3-phenylphenyl)phenyl]-9,20-dithiapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14(19),15,17-nonaen-16-amine;N-(4-naphthalen-1-ylphenyl)-N-(9,9,14,14-tetramethyl-5-pentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaenyl)dibenzothiophen-2-amine;N-(6,6,12,12-tetramethylindeno[1,2-b]fluoren-2-yl)-N-triphenylen-2-yldibenzothiophen-2-amine

C202H136N4S8 — CID 159771411

About N-dibenzothiophen-2-yl-N-(3,5-diphenylphenyl)-10,14-dithiapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15,17,19-nonaen-6-amine;N-dibenzothiophen-2-yl-N-[3-(3-phenylphenyl)phenyl]-9,20-dithiapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14(19),15,17-nonaen-16-amine;N-(4-naphthalen-1-ylphenyl)-N-(9,9,14,14-tetramethyl-5-pentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaenyl)dibenzothiophen-2-amine;N-(6,6,12,12-tetramethylindeno[1,2-b]fluoren-2-yl)-N-triphenylen-2-yldibenzothiophen-2-amine

N-dibenzothiophen-2-yl-N-(3,5-diphenylphenyl)-10,14-dithiapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15,17,19-nonaen-6-amine;N-dibenzothiophen-2-yl-N-[3-(3-phenylphenyl)phenyl]-9,20-dithiapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14(19),15,17-nonaen-16-amine;N-(4-naphthalen-1-ylphenyl)-N-(9,9,14,14-tetramethyl-5-pentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaenyl)dibenzothiophen-2-amine;N-(6,6,12,12-tetramethylindeno[1,2-b]fluoren-2-yl)-N-triphenylen-2-yldibenzothiophen-2-amine (PubChem CID 159771411) has the molecular formula C202H136N4S8 and a molecular weight of 2875.87 g/mol. Its IUPAC name is N-dibenzothiophen-2-yl-N-(3,5-diphenylphenyl)-10,14-dithiapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15,17,19-nonaen-6-amine;N-dibenzothiophen-2-yl-N-[3-(3-phenylphenyl)phenyl]-9,20-dithiapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14(19),15,17-nonaen-16-amine;N-(4-naphthalen-1-ylphenyl)-N-(9,9,14,14-tetramethyl-5-pentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaenyl)dibenzothiophen-2-amine;N-(6,6,12,12-tetramethylindeno[1,2-b]fluoren-2-yl)-N-triphenylen-2-yldibenzothiophen-2-amine.

Molecular Properties

• Compound Name: N-dibenzothiophen-2-yl-N-(3,5-diphenylphenyl)-10,14-dithiapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15,17,19-nonaen-6-amine;N-dibenzothiophen-2-yl-N-[3-(3-phenylphenyl)phenyl]-9,20-dithiapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14(19),15,17-nonaen-16-amine;N-(4-naphthalen-1-ylphenyl)-N-(9,9,14,14-tetramethyl-5-pentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaenyl)dibenzothiophen-2-amine;N-(6,6,12,12-tetramethylindeno[1,2-b]fluoren-2-yl)-N-triphenylen-2-yldibenzothiophen-2-amine
• PubChem CID: 159771411
• Molecular Formula: C202H136N4S8
• Molecular Weight: 2875.87 g/mol
• Exact Mass: 2872.85
• IUPAC Name: N-dibenzothiophen-2-yl-N-(3,5-diphenylphenyl)-10,14-dithiapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15,17,19-nonaen-6-amine;N-dibenzothiophen-2-yl-N-[3-(3-phenylphenyl)phenyl]-9,20-dithiapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14(19),15,17-nonaen-16-amine;N-(4-naphthalen-1-ylphenyl)-N-(9,9,14,14-tetramethyl-5-pentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaenyl)dibenzothiophen-2-amine;N-(6,6,12,12-tetramethylindeno[1,2-b]fluoren-2-yl)-N-triphenylen-2-yldibenzothiophen-2-amine
• SMILES: CC1(C)c2ccccc2-c2c1ccc1c2-c2cc(N(c3ccc(-c4cccc5ccccc45)cc3)c3ccc4sc5ccccc5c4c3)ccc2C1(C)C.CC1(C)c2ccccc2-c2cc3c(cc21)-c1ccc(N(c2ccc4sc5ccccc5c4c2)c2ccc4c5ccccc5c5ccccc5c4c2)cc1C3(C)C.c1ccc(-c2cc(-c3ccccc3)cc(N(c3ccc4sc5ccccc5c4c3)c3ccc4sc5cc6sc7ccccc7c6cc5c4c3)c2)cc1.c1ccc(-c2cccc(-c3cccc(N(c4ccc5sc6ccccc6c5c4)c4ccc5sc6c(ccc7sc8ccccc8c76)c5c4)c3)c2)cc1
• InChI: InChI=1S/C54H39NS.C52H39NS.2C48H29NS3/c1-53(2)47-19-11-9-17-40(47)44-30-50-45(31-49(44)53)41-25-22-34(29-48(41)54(50,3)4)55(33-23-26-52-46(28-33)42-18-10-12-20-51(42)56-52)32-21-24-39-37-15-6-5-13-35(37)36-14-7-8-16-38(36)43(39)27-32;1-51(2)43-18-9-7-16-40(43)49-45(51)27-28-46-50(49)42-31-35(24-26-44(42)52(46,3)4)53(36-25-29-48-41(30-36)39-15-8-10-19-47(39)54-48)34-22-20-33(21-23-34)38-17-11-13-32-12-5-6-14-37(32)38;1-3-11-30(12-4-1)32-23-33(31-13-5-2-6-14-31)25-36(24-32)49(34-19-21-45-39(26-34)37-15-7-9-17-43(37)50-45)35-20-22-46-40(27-35)42-28-41-38-16-8-10-18-44(38)51-47(41)29-48(42)52-46;1-2-10-30(11-3-1)31-12-8-13-32(26-31)33-14-9-15-34(27-33)49(35-20-23-44-40(28-35)37-16-4-6-18-42(37)50-44)36-21-24-45-41(29-36)38-22-25-46-47(48(38)52-45)39-17-5-7-19-43(39)51-46/h5-31H,1-4H3;5-31H,1-4H3;2*1-29H
• InChIKey: NGDUHMHIPBINDI-UHFFFAOYSA-N
• XLogP: 61.74
• TPSA: 12.96 Ų
• H-Bond Acceptors: 12
• Rotatable Bonds: 17
• Heavy Atoms: 214
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2875.87
LogP ≤ 5	61.74
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	12

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-dibenzothiophen-2-yl-N-(3,5-diphenylphenyl)-10,14-dithiapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15,17,19-nonaen-6-amine;N-dibenzothiophen-2-yl-N-[3-(3-phenylphenyl)phenyl]-9,20-dithiapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14(19),15,17-nonaen-16-amine;N-(4-naphthalen-1-ylphenyl)-N-(9,9,14,14-tetramethyl-5-pentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaenyl)dibenzothiophen-2-amine;N-(6,6,12,12-tetramethylindeno[1,2-b]fluoren-2-yl)-N-triphenylen-2-yldibenzothiophen-2-amine?

The IUPAC name of N-dibenzothiophen-2-yl-N-(3,5-diphenylphenyl)-10,14-dithiapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15,17,19-nonaen-6-amine;N-dibenzothiophen-2-yl-N-[3-(3-phenylphenyl)phenyl]-9,20-dithiapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14(19),15,17-nonaen-16-amine;N-(4-naphthalen-1-ylphenyl)-N-(9,9,14,14-tetramethyl-5-pentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaenyl)dibenzothiophen-2-amine;N-(6,6,12,12-tetramethylindeno[1,2-b]fluoren-2-yl)-N-triphenylen-2-yldibenzothiophen-2-amine (CID 159771411) is N-dibenzothiophen-2-yl-N-(3,5-diphenylphenyl)-10,14-dithiapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15,17,19-nonaen-6-amine;N-dibenzothiophen-2-yl-N-[3-(3-phenylphenyl)phenyl]-9,20-dithiapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14(19),15,17-nonaen-16-amine;N-(4-naphthalen-1-ylphenyl)-N-(9,9,14,14-tetramethyl-5-pentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaenyl)dibenzothiophen-2-amine;N-(6,6,12,12-tetramethylindeno[1,2-b]fluoren-2-yl)-N-triphenylen-2-yldibenzothiophen-2-amine.

What is the SMILES notation for N-dibenzothiophen-2-yl-N-(3,5-diphenylphenyl)-10,14-dithiapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15,17,19-nonaen-6-amine;N-dibenzothiophen-2-yl-N-[3-(3-phenylphenyl)phenyl]-9,20-dithiapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14(19),15,17-nonaen-16-amine;N-(4-naphthalen-1-ylphenyl)-N-(9,9,14,14-tetramethyl-5-pentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaenyl)dibenzothiophen-2-amine;N-(6,6,12,12-tetramethylindeno[1,2-b]fluoren-2-yl)-N-triphenylen-2-yldibenzothiophen-2-amine?

The canonical SMILES for N-dibenzothiophen-2-yl-N-(3,5-diphenylphenyl)-10,14-dithiapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15,17,19-nonaen-6-amine;N-dibenzothiophen-2-yl-N-[3-(3-phenylphenyl)phenyl]-9,20-dithiapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14(19),15,17-nonaen-16-amine;N-(4-naphthalen-1-ylphenyl)-N-(9,9,14,14-tetramethyl-5-pentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaenyl)dibenzothiophen-2-amine;N-(6,6,12,12-tetramethylindeno[1,2-b]fluoren-2-yl)-N-triphenylen-2-yldibenzothiophen-2-amine is CC1(C)c2ccccc2-c2c1ccc1c2-c2cc(N(c3ccc(-c4cccc5ccccc45)cc3)c3ccc4sc5ccccc5c4c3)ccc2C1(C)C.CC1(C)c2ccccc2-c2cc3c(cc21)-c1ccc(N(c2ccc4sc5ccccc5c4c2)c2ccc4c5ccccc5c5ccccc5c4c2)cc1C3(C)C.c1ccc(-c2cc(-c3ccccc3)cc(N(c3ccc4sc5ccccc5c4c3)c3ccc4sc5cc6sc7ccccc7c6cc5c4c3)c2)cc1.c1ccc(-c2cccc(-c3cccc(N(c4ccc5sc6ccccc6c5c4)c4ccc5sc6c(ccc7sc8ccccc8c76)c5c4)c3)c2)cc1.

What is the InChIKey of N-dibenzothiophen-2-yl-N-(3,5-diphenylphenyl)-10,14-dithiapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15,17,19-nonaen-6-amine;N-dibenzothiophen-2-yl-N-[3-(3-phenylphenyl)phenyl]-9,20-dithiapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14(19),15,17-nonaen-16-amine;N-(4-naphthalen-1-ylphenyl)-N-(9,9,14,14-tetramethyl-5-pentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaenyl)dibenzothiophen-2-amine;N-(6,6,12,12-tetramethylindeno[1,2-b]fluoren-2-yl)-N-triphenylen-2-yldibenzothiophen-2-amine?

The InChIKey is NGDUHMHIPBINDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H39NS.C52H39NS.2C48H29NS3/c1-53(2)47-19-11-9-17-40(47)44-30-50-45(31-49(44)53)41-25-22-34(29-48(41)54(50,3)4)55(33-23-26-52-46(28-33)42-18-10-12-20-51(42)56-52)32-21-24-39-37-15-6-5-13-35(37)36-14-7-8-16-38(36)43(39)27-32;1-51(2)43-18-9-7-16-40(43)49-45(51)27-28-46-50(49)42-31-35(24-26-44(42)52(46,3)4)53(36-25-29-48-41(30-36)39-15-8-10-19-47(39)54-48)34-22-20-33(21-23-34)38-17-11-13-32-12-5-6-14-37(32)38;1-3-11-30(12-4-1)32-23-33(31-13-5-2-6-14-31)25-36(24-32)49(34-19-21-45-39(26-34)37-15-7-9-17-43(37)50-45)35-20-22-46-40(27-35)42-28-41-38-16-8-10-18-44(38)51-47(41)29-48(42)52-46;1-2-10-30(11-3-1)31-12-8-13-32(26-31)33-14-9-15-34(27-33)49(35-20-23-44-40(28-35)37-16-4-6-18-42(37)50-44)36-21-24-45-41(29-36)38-22-25-46-47(48(38)52-45)39-17-5-7-19-43(39)51-46/h5-31H,1-4H3;5-31H,1-4H3;2*1-29H.

What are the key properties of N-dibenzothiophen-2-yl-N-(3,5-diphenylphenyl)-10,14-dithiapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15,17,19-nonaen-6-amine;N-dibenzothiophen-2-yl-N-[3-(3-phenylphenyl)phenyl]-9,20-dithiapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14(19),15,17-nonaen-16-amine;N-(4-naphthalen-1-ylphenyl)-N-(9,9,14,14-tetramethyl-5-pentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaenyl)dibenzothiophen-2-amine;N-(6,6,12,12-tetramethylindeno[1,2-b]fluoren-2-yl)-N-triphenylen-2-yldibenzothiophen-2-amine?

N-dibenzothiophen-2-yl-N-(3,5-diphenylphenyl)-10,14-dithiapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15,17,19-nonaen-6-amine;N-dibenzothiophen-2-yl-N-[3-(3-phenylphenyl)phenyl]-9,20-dithiapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14(19),15,17-nonaen-16-amine;N-(4-naphthalen-1-ylphenyl)-N-(9,9,14,14-tetramethyl-5-pentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaenyl)dibenzothiophen-2-amine;N-(6,6,12,12-tetramethylindeno[1,2-b]fluoren-2-yl)-N-triphenylen-2-yldibenzothiophen-2-amine has a molecular weight of 2875.87 g/mol, XLogP of 61.74, 17 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for N-dibenzothiophen-2-yl-N-(3,5-diphenylphenyl)-10,14-dithiapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15,17,19-nonaen-6-amine;N-dibenzothiophen-2-yl-N-[3-(3-phenylphenyl)phenyl]-9,20-dithiapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14(19),15,17-nonaen-16-amine;N-(4-naphthalen-1-ylphenyl)-N-(9,9,14,14-tetramethyl-5-pentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaenyl)dibenzothiophen-2-amine;N-(6,6,12,12-tetramethylindeno[1,2-b]fluoren-2-yl)-N-triphenylen-2-yldibenzothiophen-2-amine is sourced from PubChem (CID 159771411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).