9-[4-(4-dibenzofuran-3-ylquinazolin-2-yl)dibenzothiophen-2-yl]-9-azahexacyclo[13.6.2.02,10.03,8.012,22.019,23]tricosa-1(22),2(10),3,5,7,11,13,15(23),16,18,20-undecaene;9-[4-(4-dibenzofuran-4-ylquinazolin-2-yl)dibenzothiophen-2-yl]-9-azahexacyclo[13.6.2.02,10.03,8.012,22.019,23]tricosa-1(22),2(10),3,5,7,11,13,15(23),16,18,20-undecaene;9-[4-(4-dibenzothiophen-4-ylquinazolin-2-yl)dibenzothiophen-2-yl]-9-azahexacyclo[13.6.2.02,10.03,8.012,22.019,23]tricosa-1(22),2(10),3,5,7,11,13,15(23),16,18,20-undecaene;11-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]naphtho[2,1-a]carbazole

C209H115N13O2S5 — CID 163927430

About 9-[4-(4-dibenzofuran-3-ylquinazolin-2-yl)dibenzothiophen-2-yl]-9-azahexacyclo[13.6.2.02,10.03,8.012,22.019,23]tricosa-1(22),2(10),3,5,7,11,13,15(23),16,18,20-undecaene;9-[4-(4-dibenzofuran-4-ylquinazolin-2-yl)dibenzothiophen-2-yl]-9-azahexacyclo[13.6.2.02,10.03,8.012,22.019,23]tricosa-1(22),2(10),3,5,7,11,13,15(23),16,18,20-undecaene;9-[4-(4-dibenzothiophen-4-ylquinazolin-2-yl)dibenzothiophen-2-yl]-9-azahexacyclo[13.6.2.02,10.03,8.012,22.019,23]tricosa-1(22),2(10),3,5,7,11,13,15(23),16,18,20-undecaene;11-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]naphtho[2,1-a]carbazole

9-[4-(4-dibenzofuran-3-ylquinazolin-2-yl)dibenzothiophen-2-yl]-9-azahexacyclo[13.6.2.02,10.03,8.012,22.019,23]tricosa-1(22),2(10),3,5,7,11,13,15(23),16,18,20-undecaene;9-[4-(4-dibenzofuran-4-ylquinazolin-2-yl)dibenzothiophen-2-yl]-9-azahexacyclo[13.6.2.02,10.03,8.012,22.019,23]tricosa-1(22),2(10),3,5,7,11,13,15(23),16,18,20-undecaene;9-[4-(4-dibenzothiophen-4-ylquinazolin-2-yl)dibenzothiophen-2-yl]-9-azahexacyclo[13.6.2.02,10.03,8.012,22.019,23]tricosa-1(22),2(10),3,5,7,11,13,15(23),16,18,20-undecaene;11-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]naphtho[2,1-a]carbazole (PubChem CID 163927430) has the molecular formula C209H115N13O2S5 and a molecular weight of 3000.64 g/mol. Its IUPAC name is 9-[4-(4-dibenzofuran-3-ylquinazolin-2-yl)dibenzothiophen-2-yl]-9-azahexacyclo[13.6.2.02,10.03,8.012,22.019,23]tricosa-1(22),2(10),3,5,7,11,13,15(23),16,18,20-undecaene;9-[4-(4-dibenzofuran-4-ylquinazolin-2-yl)dibenzothiophen-2-yl]-9-azahexacyclo[13.6.2.02,10.03,8.012,22.019,23]tricosa-1(22),2(10),3,5,7,11,13,15(23),16,18,20-undecaene;9-[4-(4-dibenzothiophen-4-ylquinazolin-2-yl)dibenzothiophen-2-yl]-9-azahexacyclo[13.6.2.02,10.03,8.012,22.019,23]tricosa-1(22),2(10),3,5,7,11,13,15(23),16,18,20-undecaene;11-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]naphtho[2,1-a]carbazole.

Molecular Properties

• Compound Name: 9-[4-(4-dibenzofuran-3-ylquinazolin-2-yl)dibenzothiophen-2-yl]-9-azahexacyclo[13.6.2.02,10.03,8.012,22.019,23]tricosa-1(22),2(10),3,5,7,11,13,15(23),16,18,20-undecaene;9-[4-(4-dibenzofuran-4-ylquinazolin-2-yl)dibenzothiophen-2-yl]-9-azahexacyclo[13.6.2.02,10.03,8.012,22.019,23]tricosa-1(22),2(10),3,5,7,11,13,15(23),16,18,20-undecaene;9-[4-(4-dibenzothiophen-4-ylquinazolin-2-yl)dibenzothiophen-2-yl]-9-azahexacyclo[13.6.2.02,10.03,8.012,22.019,23]tricosa-1(22),2(10),3,5,7,11,13,15(23),16,18,20-undecaene;11-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]naphtho[2,1-a]carbazole
• PubChem CID: 163927430
• Molecular Formula: C209H115N13O2S5
• Molecular Weight: 3000.64 g/mol
• Exact Mass: 2997.79
• IUPAC Name: 9-[4-(4-dibenzofuran-3-ylquinazolin-2-yl)dibenzothiophen-2-yl]-9-azahexacyclo[13.6.2.02,10.03,8.012,22.019,23]tricosa-1(22),2(10),3,5,7,11,13,15(23),16,18,20-undecaene;9-[4-(4-dibenzofuran-4-ylquinazolin-2-yl)dibenzothiophen-2-yl]-9-azahexacyclo[13.6.2.02,10.03,8.012,22.019,23]tricosa-1(22),2(10),3,5,7,11,13,15(23),16,18,20-undecaene;9-[4-(4-dibenzothiophen-4-ylquinazolin-2-yl)dibenzothiophen-2-yl]-9-azahexacyclo[13.6.2.02,10.03,8.012,22.019,23]tricosa-1(22),2(10),3,5,7,11,13,15(23),16,18,20-undecaene;11-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]naphtho[2,1-a]carbazole
• SMILES: c1cc2ccc3cc4c(c5ccc(c1)c2c35)c1ccccc1n4-c1cc(-c2nc(-c3ccc4c(c3)oc3ccccc34)c3ccccc3n2)c2sc3ccccc3c2c1.c1cc2ccc3cc4c(c5ccc(c1)c2c35)c1ccccc1n4-c1cc(-c2nc(-c3cccc4c3oc3ccccc34)c3ccccc3n2)c2sc3ccccc3c2c1.c1cc2ccc3cc4c(c5ccc(c1)c2c35)c1ccccc1n4-c1cc(-c2nc(-c3cccc4c3sc3ccccc34)c3ccccc3n2)c2sc3ccccc3c2c1.c1ccc(-c2nc(-c3ccccc3)nc(-c3cc(-n4c5ccccc5c5ccc6c7ccccc7ccc6c54)cc4c3sc3ccccc34)n2)cc1
• InChI: InChI=1S/2C54H29N3OS.C54H29N3S2.C47H28N4S/c1-5-19-43-37(15-1)51(40-18-10-17-36-34-13-3-7-21-46(34)58-52(36)40)56-54(55-43)42-29-33(28-41-35-14-4-8-22-47(35)59-53(41)42)57-44-20-6-2-16-38(44)50-39-26-25-31-12-9-11-30-23-24-32(27-45(50)57)49(39)48(30)31;1-5-16-43-38(14-1)52(33-23-24-36-35-12-3-7-18-46(35)58-47(36)27-33)56-54(55-43)42-29-34(28-41-37-13-4-8-19-48(37)59-53(41)42)57-44-17-6-2-15-39(44)51-40-25-22-31-11-9-10-30-20-21-32(26-45(51)57)50(40)49(30)31;1-5-19-43-37(15-1)51(40-18-10-17-36-34-13-3-7-21-46(34)58-52(36)40)56-54(55-43)42-29-33(28-41-35-14-4-8-22-47(35)59-53(41)42)57-44-20-6-2-16-38(44)50-39-26-25-31-12-9-11-30-23-24-32(27-45(50)57)49(39)48(30)31;1-3-14-30(15-4-1)45-48-46(31-16-5-2-6-17-31)50-47(49-45)40-28-32(27-39-36-20-10-12-22-42(36)52-44(39)40)51-41-21-11-9-19-35(41)38-26-25-34-33-18-8-7-13-29(33)23-24-37(34)43(38)51/h3*1-29H;1-28H
• InChIKey: RFSLMOYNDFUQSS-UHFFFAOYSA-N
• XLogP: 58.79
• TPSA: 162.01 Ų
• H-Bond Acceptors: 20
• Rotatable Bonds: 13
• Heavy Atoms: 229
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3000.64
LogP ≤ 5	58.79
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	20

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 9-[4-(4-dibenzofuran-3-ylquinazolin-2-yl)dibenzothiophen-2-yl]-9-azahexacyclo[13.6.2.02,10.03,8.012,22.019,23]tricosa-1(22),2(10),3,5,7,11,13,15(23),16,18,20-undecaene;9-[4-(4-dibenzofuran-4-ylquinazolin-2-yl)dibenzothiophen-2-yl]-9-azahexacyclo[13.6.2.02,10.03,8.012,22.019,23]tricosa-1(22),2(10),3,5,7,11,13,15(23),16,18,20-undecaene;9-[4-(4-dibenzothiophen-4-ylquinazolin-2-yl)dibenzothiophen-2-yl]-9-azahexacyclo[13.6.2.02,10.03,8.012,22.019,23]tricosa-1(22),2(10),3,5,7,11,13,15(23),16,18,20-undecaene;11-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]naphtho[2,1-a]carbazole?

The IUPAC name of 9-[4-(4-dibenzofuran-3-ylquinazolin-2-yl)dibenzothiophen-2-yl]-9-azahexacyclo[13.6.2.02,10.03,8.012,22.019,23]tricosa-1(22),2(10),3,5,7,11,13,15(23),16,18,20-undecaene;9-[4-(4-dibenzofuran-4-ylquinazolin-2-yl)dibenzothiophen-2-yl]-9-azahexacyclo[13.6.2.02,10.03,8.012,22.019,23]tricosa-1(22),2(10),3,5,7,11,13,15(23),16,18,20-undecaene;9-[4-(4-dibenzothiophen-4-ylquinazolin-2-yl)dibenzothiophen-2-yl]-9-azahexacyclo[13.6.2.02,10.03,8.012,22.019,23]tricosa-1(22),2(10),3,5,7,11,13,15(23),16,18,20-undecaene;11-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]naphtho[2,1-a]carbazole (CID 163927430) is 9-[4-(4-dibenzofuran-3-ylquinazolin-2-yl)dibenzothiophen-2-yl]-9-azahexacyclo[13.6.2.02,10.03,8.012,22.019,23]tricosa-1(22),2(10),3,5,7,11,13,15(23),16,18,20-undecaene;9-[4-(4-dibenzofuran-4-ylquinazolin-2-yl)dibenzothiophen-2-yl]-9-azahexacyclo[13.6.2.02,10.03,8.012,22.019,23]tricosa-1(22),2(10),3,5,7,11,13,15(23),16,18,20-undecaene;9-[4-(4-dibenzothiophen-4-ylquinazolin-2-yl)dibenzothiophen-2-yl]-9-azahexacyclo[13.6.2.02,10.03,8.012,22.019,23]tricosa-1(22),2(10),3,5,7,11,13,15(23),16,18,20-undecaene;11-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]naphtho[2,1-a]carbazole.

What is the SMILES notation for 9-[4-(4-dibenzofuran-3-ylquinazolin-2-yl)dibenzothiophen-2-yl]-9-azahexacyclo[13.6.2.02,10.03,8.012,22.019,23]tricosa-1(22),2(10),3,5,7,11,13,15(23),16,18,20-undecaene;9-[4-(4-dibenzofuran-4-ylquinazolin-2-yl)dibenzothiophen-2-yl]-9-azahexacyclo[13.6.2.02,10.03,8.012,22.019,23]tricosa-1(22),2(10),3,5,7,11,13,15(23),16,18,20-undecaene;9-[4-(4-dibenzothiophen-4-ylquinazolin-2-yl)dibenzothiophen-2-yl]-9-azahexacyclo[13.6.2.02,10.03,8.012,22.019,23]tricosa-1(22),2(10),3,5,7,11,13,15(23),16,18,20-undecaene;11-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]naphtho[2,1-a]carbazole?

The canonical SMILES for 9-[4-(4-dibenzofuran-3-ylquinazolin-2-yl)dibenzothiophen-2-yl]-9-azahexacyclo[13.6.2.02,10.03,8.012,22.019,23]tricosa-1(22),2(10),3,5,7,11,13,15(23),16,18,20-undecaene;9-[4-(4-dibenzofuran-4-ylquinazolin-2-yl)dibenzothiophen-2-yl]-9-azahexacyclo[13.6.2.02,10.03,8.012,22.019,23]tricosa-1(22),2(10),3,5,7,11,13,15(23),16,18,20-undecaene;9-[4-(4-dibenzothiophen-4-ylquinazolin-2-yl)dibenzothiophen-2-yl]-9-azahexacyclo[13.6.2.02,10.03,8.012,22.019,23]tricosa-1(22),2(10),3,5,7,11,13,15(23),16,18,20-undecaene;11-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]naphtho[2,1-a]carbazole is c1cc2ccc3cc4c(c5ccc(c1)c2c35)c1ccccc1n4-c1cc(-c2nc(-c3ccc4c(c3)oc3ccccc34)c3ccccc3n2)c2sc3ccccc3c2c1.c1cc2ccc3cc4c(c5ccc(c1)c2c35)c1ccccc1n4-c1cc(-c2nc(-c3cccc4c3oc3ccccc34)c3ccccc3n2)c2sc3ccccc3c2c1.c1cc2ccc3cc4c(c5ccc(c1)c2c35)c1ccccc1n4-c1cc(-c2nc(-c3cccc4c3sc3ccccc34)c3ccccc3n2)c2sc3ccccc3c2c1.c1ccc(-c2nc(-c3ccccc3)nc(-c3cc(-n4c5ccccc5c5ccc6c7ccccc7ccc6c54)cc4c3sc3ccccc34)n2)cc1.

What is the InChIKey of 9-[4-(4-dibenzofuran-3-ylquinazolin-2-yl)dibenzothiophen-2-yl]-9-azahexacyclo[13.6.2.02,10.03,8.012,22.019,23]tricosa-1(22),2(10),3,5,7,11,13,15(23),16,18,20-undecaene;9-[4-(4-dibenzofuran-4-ylquinazolin-2-yl)dibenzothiophen-2-yl]-9-azahexacyclo[13.6.2.02,10.03,8.012,22.019,23]tricosa-1(22),2(10),3,5,7,11,13,15(23),16,18,20-undecaene;9-[4-(4-dibenzothiophen-4-ylquinazolin-2-yl)dibenzothiophen-2-yl]-9-azahexacyclo[13.6.2.02,10.03,8.012,22.019,23]tricosa-1(22),2(10),3,5,7,11,13,15(23),16,18,20-undecaene;11-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]naphtho[2,1-a]carbazole?

The InChIKey is RFSLMOYNDFUQSS-UHFFFAOYSA-N. The full InChI is InChI=1S/2C54H29N3OS.C54H29N3S2.C47H28N4S/c1-5-19-43-37(15-1)51(40-18-10-17-36-34-13-3-7-21-46(34)58-52(36)40)56-54(55-43)42-29-33(28-41-35-14-4-8-22-47(35)59-53(41)42)57-44-20-6-2-16-38(44)50-39-26-25-31-12-9-11-30-23-24-32(27-45(50)57)49(39)48(30)31;1-5-16-43-38(14-1)52(33-23-24-36-35-12-3-7-18-46(35)58-47(36)27-33)56-54(55-43)42-29-34(28-41-37-13-4-8-19-48(37)59-53(41)42)57-44-17-6-2-15-39(44)51-40-25-22-31-11-9-10-30-20-21-32(26-45(51)57)50(40)49(30)31;1-5-19-43-37(15-1)51(40-18-10-17-36-34-13-3-7-21-46(34)58-52(36)40)56-54(55-43)42-29-33(28-41-35-14-4-8-22-47(35)59-53(41)42)57-44-20-6-2-16-38(44)50-39-26-25-31-12-9-11-30-23-24-32(27-45(50)57)49(39)48(30)31;1-3-14-30(15-4-1)45-48-46(31-16-5-2-6-17-31)50-47(49-45)40-28-32(27-39-36-20-10-12-22-42(36)52-44(39)40)51-41-21-11-9-19-35(41)38-26-25-34-33-18-8-7-13-29(33)23-24-37(34)43(38)51/h3*1-29H;1-28H.

What are the key properties of 9-[4-(4-dibenzofuran-3-ylquinazolin-2-yl)dibenzothiophen-2-yl]-9-azahexacyclo[13.6.2.02,10.03,8.012,22.019,23]tricosa-1(22),2(10),3,5,7,11,13,15(23),16,18,20-undecaene;9-[4-(4-dibenzofuran-4-ylquinazolin-2-yl)dibenzothiophen-2-yl]-9-azahexacyclo[13.6.2.02,10.03,8.012,22.019,23]tricosa-1(22),2(10),3,5,7,11,13,15(23),16,18,20-undecaene;9-[4-(4-dibenzothiophen-4-ylquinazolin-2-yl)dibenzothiophen-2-yl]-9-azahexacyclo[13.6.2.02,10.03,8.012,22.019,23]tricosa-1(22),2(10),3,5,7,11,13,15(23),16,18,20-undecaene;11-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]naphtho[2,1-a]carbazole?

9-[4-(4-dibenzofuran-3-ylquinazolin-2-yl)dibenzothiophen-2-yl]-9-azahexacyclo[13.6.2.02,10.03,8.012,22.019,23]tricosa-1(22),2(10),3,5,7,11,13,15(23),16,18,20-undecaene;9-[4-(4-dibenzofuran-4-ylquinazolin-2-yl)dibenzothiophen-2-yl]-9-azahexacyclo[13.6.2.02,10.03,8.012,22.019,23]tricosa-1(22),2(10),3,5,7,11,13,15(23),16,18,20-undecaene;9-[4-(4-dibenzothiophen-4-ylquinazolin-2-yl)dibenzothiophen-2-yl]-9-azahexacyclo[13.6.2.02,10.03,8.012,22.019,23]tricosa-1(22),2(10),3,5,7,11,13,15(23),16,18,20-undecaene;11-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]naphtho[2,1-a]carbazole has a molecular weight of 3000.64 g/mol, XLogP of 58.79, 13 rotatable bonds, 0 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for 9-[4-(4-dibenzofuran-3-ylquinazolin-2-yl)dibenzothiophen-2-yl]-9-azahexacyclo[13.6.2.02,10.03,8.012,22.019,23]tricosa-1(22),2(10),3,5,7,11,13,15(23),16,18,20-undecaene;9-[4-(4-dibenzofuran-4-ylquinazolin-2-yl)dibenzothiophen-2-yl]-9-azahexacyclo[13.6.2.02,10.03,8.012,22.019,23]tricosa-1(22),2(10),3,5,7,11,13,15(23),16,18,20-undecaene;9-[4-(4-dibenzothiophen-4-ylquinazolin-2-yl)dibenzothiophen-2-yl]-9-azahexacyclo[13.6.2.02,10.03,8.012,22.019,23]tricosa-1(22),2(10),3,5,7,11,13,15(23),16,18,20-undecaene;11-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]naphtho[2,1-a]carbazole is sourced from PubChem (CID 163927430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).