3-[9-[3-[3-(3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,14,16,18-nonaen-5-yl)phenyl]phenyl]carbazol-3-yl]-9-(4-phenylphenyl)carbazole;2-[4-[9-(11,15-dioxa-18-thiaheptacyclo[14.11.0.02,14.04,12.05,10.017,25.019,24]heptacosa-1(27),2(14),3,5,7,9,12,16,19,21,23,25-dodecaen-26-yl)carbazol-2-yl]phenyl]-9-phenylcarbazole;3-[9-[3-(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-8-yl)phenyl]carbazol-3-yl]-9-triphenylen-2-ylcarbazole

C192H112N6O4S3 — CID 160524368

About 3-[9-[3-[3-(3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,14,16,18-nonaen-5-yl)phenyl]phenyl]carbazol-3-yl]-9-(4-phenylphenyl)carbazole;2-[4-[9-(11,15-dioxa-18-thiaheptacyclo[14.11.0.02,14.04,12.05,10.017,25.019,24]heptacosa-1(27),2(14),3,5,7,9,12,16,19,21,23,25-dodecaen-26-yl)carbazol-2-yl]phenyl]-9-phenylcarbazole;3-[9-[3-(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-8-yl)phenyl]carbazol-3-yl]-9-triphenylen-2-ylcarbazole

3-[9-[3-[3-(3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,14,16,18-nonaen-5-yl)phenyl]phenyl]carbazol-3-yl]-9-(4-phenylphenyl)carbazole;2-[4-[9-(11,15-dioxa-18-thiaheptacyclo[14.11.0.02,14.04,12.05,10.017,25.019,24]heptacosa-1(27),2(14),3,5,7,9,12,16,19,21,23,25-dodecaen-26-yl)carbazol-2-yl]phenyl]-9-phenylcarbazole;3-[9-[3-(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-8-yl)phenyl]carbazol-3-yl]-9-triphenylen-2-ylcarbazole (PubChem CID 160524368) has the molecular formula C192H112N6O4S3 and a molecular weight of 2663.25 g/mol. Its IUPAC name is 3-[9-[3-[3-(3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,14,16,18-nonaen-5-yl)phenyl]phenyl]carbazol-3-yl]-9-(4-phenylphenyl)carbazole;2-[4-[9-(11,15-dioxa-18-thiaheptacyclo[14.11.0.02,14.04,12.05,10.017,25.019,24]heptacosa-1(27),2(14),3,5,7,9,12,16,19,21,23,25-dodecaen-26-yl)carbazol-2-yl]phenyl]-9-phenylcarbazole;3-[9-[3-(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-8-yl)phenyl]carbazol-3-yl]-9-triphenylen-2-ylcarbazole.

Molecular Properties

• Compound Name: 3-[9-[3-[3-(3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,14,16,18-nonaen-5-yl)phenyl]phenyl]carbazol-3-yl]-9-(4-phenylphenyl)carbazole;2-[4-[9-(11,15-dioxa-18-thiaheptacyclo[14.11.0.02,14.04,12.05,10.017,25.019,24]heptacosa-1(27),2(14),3,5,7,9,12,16,19,21,23,25-dodecaen-26-yl)carbazol-2-yl]phenyl]-9-phenylcarbazole;3-[9-[3-(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-8-yl)phenyl]carbazol-3-yl]-9-triphenylen-2-ylcarbazole
• PubChem CID: 160524368
• Molecular Formula: C192H112N6O4S3
• Molecular Weight: 2663.25 g/mol
• Exact Mass: 2660.79
• IUPAC Name: 3-[9-[3-[3-(3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,14,16,18-nonaen-5-yl)phenyl]phenyl]carbazol-3-yl]-9-(4-phenylphenyl)carbazole;2-[4-[9-(11,15-dioxa-18-thiaheptacyclo[14.11.0.02,14.04,12.05,10.017,25.019,24]heptacosa-1(27),2(14),3,5,7,9,12,16,19,21,23,25-dodecaen-26-yl)carbazol-2-yl]phenyl]-9-phenylcarbazole;3-[9-[3-(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-8-yl)phenyl]carbazol-3-yl]-9-triphenylen-2-ylcarbazole
• SMILES: c1cc(-c2cccc3c2sc2cc4sc5ccccc5c4cc23)cc(-n2c3ccccc3c3cc(-c4ccc5c(c4)c4ccccc4n5-c4ccc5c6ccccc6c6ccccc6c5c4)ccc32)c1.c1ccc(-c2ccc(-n3c4ccccc4c4cc(-c5ccc6c(c5)c5ccccc5n6-c5cccc(-c6cccc(-c7cccc8c7oc7c8ccc8c9ccccc9oc87)c6)c5)ccc43)cc2)cc1.c1ccc(-n2c3ccccc3c3ccc(-c4ccc(-c5ccc6c7ccccc7n(-c7cc8c9cc%10c(cc9oc8c8sc9ccccc9c78)oc7ccccc7%10)c6c5)cc4)cc32)cc1
• InChI: InChI=1S/C66H40N2O2.C66H38N2S2.C60H34N2O2S/c1-2-13-41(14-3-1)42-27-31-48(32-28-42)67-59-24-7-4-19-51(59)57-39-45(29-35-61(57)67)46-30-36-62-58(40-46)52-20-5-8-25-60(52)68(62)49-18-11-16-44(38-49)43-15-10-17-47(37-43)50-22-12-23-54-56-34-33-55-53-21-6-9-26-63(53)69-65(55)66(56)70-64(50)54;1-2-17-47-45(15-1)46-16-3-4-18-48(46)54-36-43(29-30-49(47)54)68-60-25-9-6-20-51(60)56-35-40(28-32-62(56)68)39-27-31-61-55(34-39)50-19-5-8-24-59(50)67(61)42-14-11-13-41(33-42)44-22-12-23-53-58-37-57-52-21-7-10-26-63(52)69-64(57)38-65(58)70-66(44)53;1-2-12-39(13-3-1)61-49-18-8-4-14-40(49)42-28-26-37(30-51(42)61)35-22-24-36(25-23-35)38-27-29-43-41-15-5-9-19-50(41)62(52(43)31-38)53-33-48-47-32-46-44-16-6-10-20-54(44)63-55(46)34-56(47)64-59(48)60-58(53)45-17-7-11-21-57(45)65-60/h1-40H;1-38H;1-34H
• InChIKey: QURUDOMCGJUNRT-UHFFFAOYSA-N
• XLogP: 55.14
• TPSA: 82.14 Ų
• H-Bond Acceptors: 13
• Rotatable Bonds: 14
• Heavy Atoms: 205
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2663.25
LogP ≤ 5	55.14
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	13

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 3-[9-[3-[3-(3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,14,16,18-nonaen-5-yl)phenyl]phenyl]carbazol-3-yl]-9-(4-phenylphenyl)carbazole;2-[4-[9-(11,15-dioxa-18-thiaheptacyclo[14.11.0.02,14.04,12.05,10.017,25.019,24]heptacosa-1(27),2(14),3,5,7,9,12,16,19,21,23,25-dodecaen-26-yl)carbazol-2-yl]phenyl]-9-phenylcarbazole;3-[9-[3-(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-8-yl)phenyl]carbazol-3-yl]-9-triphenylen-2-ylcarbazole?

The IUPAC name of 3-[9-[3-[3-(3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,14,16,18-nonaen-5-yl)phenyl]phenyl]carbazol-3-yl]-9-(4-phenylphenyl)carbazole;2-[4-[9-(11,15-dioxa-18-thiaheptacyclo[14.11.0.02,14.04,12.05,10.017,25.019,24]heptacosa-1(27),2(14),3,5,7,9,12,16,19,21,23,25-dodecaen-26-yl)carbazol-2-yl]phenyl]-9-phenylcarbazole;3-[9-[3-(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-8-yl)phenyl]carbazol-3-yl]-9-triphenylen-2-ylcarbazole (CID 160524368) is 3-[9-[3-[3-(3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,14,16,18-nonaen-5-yl)phenyl]phenyl]carbazol-3-yl]-9-(4-phenylphenyl)carbazole;2-[4-[9-(11,15-dioxa-18-thiaheptacyclo[14.11.0.02,14.04,12.05,10.017,25.019,24]heptacosa-1(27),2(14),3,5,7,9,12,16,19,21,23,25-dodecaen-26-yl)carbazol-2-yl]phenyl]-9-phenylcarbazole;3-[9-[3-(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-8-yl)phenyl]carbazol-3-yl]-9-triphenylen-2-ylcarbazole.

What is the SMILES notation for 3-[9-[3-[3-(3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,14,16,18-nonaen-5-yl)phenyl]phenyl]carbazol-3-yl]-9-(4-phenylphenyl)carbazole;2-[4-[9-(11,15-dioxa-18-thiaheptacyclo[14.11.0.02,14.04,12.05,10.017,25.019,24]heptacosa-1(27),2(14),3,5,7,9,12,16,19,21,23,25-dodecaen-26-yl)carbazol-2-yl]phenyl]-9-phenylcarbazole;3-[9-[3-(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-8-yl)phenyl]carbazol-3-yl]-9-triphenylen-2-ylcarbazole?

The canonical SMILES for 3-[9-[3-[3-(3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,14,16,18-nonaen-5-yl)phenyl]phenyl]carbazol-3-yl]-9-(4-phenylphenyl)carbazole;2-[4-[9-(11,15-dioxa-18-thiaheptacyclo[14.11.0.02,14.04,12.05,10.017,25.019,24]heptacosa-1(27),2(14),3,5,7,9,12,16,19,21,23,25-dodecaen-26-yl)carbazol-2-yl]phenyl]-9-phenylcarbazole;3-[9-[3-(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-8-yl)phenyl]carbazol-3-yl]-9-triphenylen-2-ylcarbazole is c1cc(-c2cccc3c2sc2cc4sc5ccccc5c4cc23)cc(-n2c3ccccc3c3cc(-c4ccc5c(c4)c4ccccc4n5-c4ccc5c6ccccc6c6ccccc6c5c4)ccc32)c1.c1ccc(-c2ccc(-n3c4ccccc4c4cc(-c5ccc6c(c5)c5ccccc5n6-c5cccc(-c6cccc(-c7cccc8c7oc7c8ccc8c9ccccc9oc87)c6)c5)ccc43)cc2)cc1.c1ccc(-n2c3ccccc3c3ccc(-c4ccc(-c5ccc6c7ccccc7n(-c7cc8c9cc%10c(cc9oc8c8sc9ccccc9c78)oc7ccccc7%10)c6c5)cc4)cc32)cc1.

What is the InChIKey of 3-[9-[3-[3-(3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,14,16,18-nonaen-5-yl)phenyl]phenyl]carbazol-3-yl]-9-(4-phenylphenyl)carbazole;2-[4-[9-(11,15-dioxa-18-thiaheptacyclo[14.11.0.02,14.04,12.05,10.017,25.019,24]heptacosa-1(27),2(14),3,5,7,9,12,16,19,21,23,25-dodecaen-26-yl)carbazol-2-yl]phenyl]-9-phenylcarbazole;3-[9-[3-(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-8-yl)phenyl]carbazol-3-yl]-9-triphenylen-2-ylcarbazole?

The InChIKey is QURUDOMCGJUNRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C66H40N2O2.C66H38N2S2.C60H34N2O2S/c1-2-13-41(14-3-1)42-27-31-48(32-28-42)67-59-24-7-4-19-51(59)57-39-45(29-35-61(57)67)46-30-36-62-58(40-46)52-20-5-8-25-60(52)68(62)49-18-11-16-44(38-49)43-15-10-17-47(37-43)50-22-12-23-54-56-34-33-55-53-21-6-9-26-63(53)69-65(55)66(56)70-64(50)54;1-2-17-47-45(15-1)46-16-3-4-18-48(46)54-36-43(29-30-49(47)54)68-60-25-9-6-20-51(60)56-35-40(28-32-62(56)68)39-27-31-61-55(34-39)50-19-5-8-24-59(50)67(61)42-14-11-13-41(33-42)44-22-12-23-53-58-37-57-52-21-7-10-26-63(52)69-64(57)38-65(58)70-66(44)53;1-2-12-39(13-3-1)61-49-18-8-4-14-40(49)42-28-26-37(30-51(42)61)35-22-24-36(25-23-35)38-27-29-43-41-15-5-9-19-50(41)62(52(43)31-38)53-33-48-47-32-46-44-16-6-10-20-54(44)63-55(46)34-56(47)64-59(48)60-58(53)45-17-7-11-21-57(45)65-60/h1-40H;1-38H;1-34H.

What are the key properties of 3-[9-[3-[3-(3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,14,16,18-nonaen-5-yl)phenyl]phenyl]carbazol-3-yl]-9-(4-phenylphenyl)carbazole;2-[4-[9-(11,15-dioxa-18-thiaheptacyclo[14.11.0.02,14.04,12.05,10.017,25.019,24]heptacosa-1(27),2(14),3,5,7,9,12,16,19,21,23,25-dodecaen-26-yl)carbazol-2-yl]phenyl]-9-phenylcarbazole;3-[9-[3-(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-8-yl)phenyl]carbazol-3-yl]-9-triphenylen-2-ylcarbazole?

3-[9-[3-[3-(3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,14,16,18-nonaen-5-yl)phenyl]phenyl]carbazol-3-yl]-9-(4-phenylphenyl)carbazole;2-[4-[9-(11,15-dioxa-18-thiaheptacyclo[14.11.0.02,14.04,12.05,10.017,25.019,24]heptacosa-1(27),2(14),3,5,7,9,12,16,19,21,23,25-dodecaen-26-yl)carbazol-2-yl]phenyl]-9-phenylcarbazole;3-[9-[3-(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-8-yl)phenyl]carbazol-3-yl]-9-triphenylen-2-ylcarbazole has a molecular weight of 2663.25 g/mol, XLogP of 55.14, 14 rotatable bonds, 0 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[9-[3-[3-(3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,14,16,18-nonaen-5-yl)phenyl]phenyl]carbazol-3-yl]-9-(4-phenylphenyl)carbazole;2-[4-[9-(11,15-dioxa-18-thiaheptacyclo[14.11.0.02,14.04,12.05,10.017,25.019,24]heptacosa-1(27),2(14),3,5,7,9,12,16,19,21,23,25-dodecaen-26-yl)carbazol-2-yl]phenyl]-9-phenylcarbazole;3-[9-[3-(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-8-yl)phenyl]carbazol-3-yl]-9-triphenylen-2-ylcarbazole is sourced from PubChem (CID 160524368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).