4-dibenzofuran-1-yl-2-(5-pentacyclo[12.8.0.02,11.03,8.015,20]docosa-1(14),2(11),3(8),4,6,9,12,15,17,19,21-undecaenyl)quinazoline;4-naphthalen-2-yl-7-(13-pentacyclo[12.8.0.02,11.03,8.015,20]docosa-1,3,5,7,9,11,13,15,17,19,21-undecaenyl)-2-phenylquinazoline;7-(13-pentacyclo[12.8.0.02,11.03,8.015,20]docosa-1,3,5,7,9,11,13,15,17,19,21-undecaenyl)-2,4-diphenylquinazoline;2-(5-pentacyclo[12.8.0.02,11.03,8.015,20]docosa-1(14),2(11),3(8),4,6,9,12,15,17,19,21-undecaenyl)-4-phenylquinazoline

C166H100N8O — CID 167583599

About 4-dibenzofuran-1-yl-2-(5-pentacyclo[12.8.0.02,11.03,8.015,20]docosa-1(14),2(11),3(8),4,6,9,12,15,17,19,21-undecaenyl)quinazoline;4-naphthalen-2-yl-7-(13-pentacyclo[12.8.0.02,11.03,8.015,20]docosa-1,3,5,7,9,11,13,15,17,19,21-undecaenyl)-2-phenylquinazoline;7-(13-pentacyclo[12.8.0.02,11.03,8.015,20]docosa-1,3,5,7,9,11,13,15,17,19,21-undecaenyl)-2,4-diphenylquinazoline;2-(5-pentacyclo[12.8.0.02,11.03,8.015,20]docosa-1(14),2(11),3(8),4,6,9,12,15,17,19,21-undecaenyl)-4-phenylquinazoline

4-dibenzofuran-1-yl-2-(5-pentacyclo[12.8.0.02,11.03,8.015,20]docosa-1(14),2(11),3(8),4,6,9,12,15,17,19,21-undecaenyl)quinazoline;4-naphthalen-2-yl-7-(13-pentacyclo[12.8.0.02,11.03,8.015,20]docosa-1,3,5,7,9,11,13,15,17,19,21-undecaenyl)-2-phenylquinazoline;7-(13-pentacyclo[12.8.0.02,11.03,8.015,20]docosa-1,3,5,7,9,11,13,15,17,19,21-undecaenyl)-2,4-diphenylquinazoline;2-(5-pentacyclo[12.8.0.02,11.03,8.015,20]docosa-1(14),2(11),3(8),4,6,9,12,15,17,19,21-undecaenyl)-4-phenylquinazoline (PubChem CID 167583599) has the molecular formula C166H100N8O and a molecular weight of 2222.68 g/mol. Its IUPAC name is 4-dibenzofuran-1-yl-2-(5-pentacyclo[12.8.0.02,11.03,8.015,20]docosa-1(14),2(11),3(8),4,6,9,12,15,17,19,21-undecaenyl)quinazoline;4-naphthalen-2-yl-7-(13-pentacyclo[12.8.0.02,11.03,8.015,20]docosa-1,3,5,7,9,11,13,15,17,19,21-undecaenyl)-2-phenylquinazoline;7-(13-pentacyclo[12.8.0.02,11.03,8.015,20]docosa-1,3,5,7,9,11,13,15,17,19,21-undecaenyl)-2,4-diphenylquinazoline;2-(5-pentacyclo[12.8.0.02,11.03,8.015,20]docosa-1(14),2(11),3(8),4,6,9,12,15,17,19,21-undecaenyl)-4-phenylquinazoline.

Molecular Properties

• Compound Name: 4-dibenzofuran-1-yl-2-(5-pentacyclo[12.8.0.02,11.03,8.015,20]docosa-1(14),2(11),3(8),4,6,9,12,15,17,19,21-undecaenyl)quinazoline;4-naphthalen-2-yl-7-(13-pentacyclo[12.8.0.02,11.03,8.015,20]docosa-1,3,5,7,9,11,13,15,17,19,21-undecaenyl)-2-phenylquinazoline;7-(13-pentacyclo[12.8.0.02,11.03,8.015,20]docosa-1,3,5,7,9,11,13,15,17,19,21-undecaenyl)-2,4-diphenylquinazoline;2-(5-pentacyclo[12.8.0.02,11.03,8.015,20]docosa-1(14),2(11),3(8),4,6,9,12,15,17,19,21-undecaenyl)-4-phenylquinazoline
• PubChem CID: 167583599
• Molecular Formula: C166H100N8O
• Molecular Weight: 2222.68 g/mol
• Exact Mass: 2220.80
• IUPAC Name: 4-dibenzofuran-1-yl-2-(5-pentacyclo[12.8.0.02,11.03,8.015,20]docosa-1(14),2(11),3(8),4,6,9,12,15,17,19,21-undecaenyl)quinazoline;4-naphthalen-2-yl-7-(13-pentacyclo[12.8.0.02,11.03,8.015,20]docosa-1,3,5,7,9,11,13,15,17,19,21-undecaenyl)-2-phenylquinazoline;7-(13-pentacyclo[12.8.0.02,11.03,8.015,20]docosa-1,3,5,7,9,11,13,15,17,19,21-undecaenyl)-2,4-diphenylquinazoline;2-(5-pentacyclo[12.8.0.02,11.03,8.015,20]docosa-1(14),2(11),3(8),4,6,9,12,15,17,19,21-undecaenyl)-4-phenylquinazoline
• SMILES: c1ccc(-c2nc(-c3ccc4ccc5ccc6c7ccccc7ccc6c5c4c3)nc3ccccc23)cc1.c1ccc(-c2nc(-c3ccc4ccccc4c3)c3ccc(-c4cc5ccc6ccccc6c5c5ccc6ccccc6c45)cc3n2)cc1.c1ccc(-c2nc(-c3ccccc3)c3ccc(-c4cc5ccc6ccccc6c5c5ccc6ccccc6c45)cc3n2)cc1.c1ccc2c(c1)ccc1c2ccc2ccc3ccc(-c4nc(-c5cccc6oc7ccccc7c56)c5ccccc5n4)cc3c21
• InChI: InChI=1S/C46H28N2.C42H24N2O.C42H26N2.C36H22N2/c1-2-13-32(14-3-1)46-47-42-28-34(23-24-39(42)45(48-46)36-21-18-29-10-4-5-15-33(29)26-36)41-27-35-20-19-30-11-6-8-16-37(30)43(35)40-25-22-31-12-7-9-17-38(31)44(40)41;1-2-9-29-25(8-1)20-23-31-30(29)22-21-27-18-16-26-17-19-28(24-35(26)39(27)31)42-43-36-13-5-3-10-32(36)41(44-42)34-12-7-15-38-40(34)33-11-4-6-14-37(33)45-38;1-3-13-29(14-4-1)41-35-23-22-31(26-38(35)43-42(44-41)30-15-5-2-6-16-30)37-25-32-20-19-27-11-7-9-17-33(27)39(32)36-24-21-28-12-8-10-18-34(28)40(36)37;1-2-9-26(10-3-1)35-31-12-6-7-13-33(31)37-36(38-35)27-17-15-24-14-16-25-19-20-29-28-11-5-4-8-23(28)18-21-30(29)34(25)32(24)22-27/h1-28H;1-24H;1-26H;1-22H
• InChIKey: HMPFHIBSLSETMF-UHFFFAOYSA-N
• XLogP: 44.69
• TPSA: 116.26 Ų
• H-Bond Acceptors: 9
• Rotatable Bonds: 10
• Heavy Atoms: 175
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	2222.68
LogP ≤ 5	44.69
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4-dibenzofuran-1-yl-2-(5-pentacyclo[12.8.0.02,11.03,8.015,20]docosa-1(14),2(11),3(8),4,6,9,12,15,17,19,21-undecaenyl)quinazoline;4-naphthalen-2-yl-7-(13-pentacyclo[12.8.0.02,11.03,8.015,20]docosa-1,3,5,7,9,11,13,15,17,19,21-undecaenyl)-2-phenylquinazoline;7-(13-pentacyclo[12.8.0.02,11.03,8.015,20]docosa-1,3,5,7,9,11,13,15,17,19,21-undecaenyl)-2,4-diphenylquinazoline;2-(5-pentacyclo[12.8.0.02,11.03,8.015,20]docosa-1(14),2(11),3(8),4,6,9,12,15,17,19,21-undecaenyl)-4-phenylquinazoline?

The IUPAC name of 4-dibenzofuran-1-yl-2-(5-pentacyclo[12.8.0.02,11.03,8.015,20]docosa-1(14),2(11),3(8),4,6,9,12,15,17,19,21-undecaenyl)quinazoline;4-naphthalen-2-yl-7-(13-pentacyclo[12.8.0.02,11.03,8.015,20]docosa-1,3,5,7,9,11,13,15,17,19,21-undecaenyl)-2-phenylquinazoline;7-(13-pentacyclo[12.8.0.02,11.03,8.015,20]docosa-1,3,5,7,9,11,13,15,17,19,21-undecaenyl)-2,4-diphenylquinazoline;2-(5-pentacyclo[12.8.0.02,11.03,8.015,20]docosa-1(14),2(11),3(8),4,6,9,12,15,17,19,21-undecaenyl)-4-phenylquinazoline (CID 167583599) is 4-dibenzofuran-1-yl-2-(5-pentacyclo[12.8.0.02,11.03,8.015,20]docosa-1(14),2(11),3(8),4,6,9,12,15,17,19,21-undecaenyl)quinazoline;4-naphthalen-2-yl-7-(13-pentacyclo[12.8.0.02,11.03,8.015,20]docosa-1,3,5,7,9,11,13,15,17,19,21-undecaenyl)-2-phenylquinazoline;7-(13-pentacyclo[12.8.0.02,11.03,8.015,20]docosa-1,3,5,7,9,11,13,15,17,19,21-undecaenyl)-2,4-diphenylquinazoline;2-(5-pentacyclo[12.8.0.02,11.03,8.015,20]docosa-1(14),2(11),3(8),4,6,9,12,15,17,19,21-undecaenyl)-4-phenylquinazoline.

What is the SMILES notation for 4-dibenzofuran-1-yl-2-(5-pentacyclo[12.8.0.02,11.03,8.015,20]docosa-1(14),2(11),3(8),4,6,9,12,15,17,19,21-undecaenyl)quinazoline;4-naphthalen-2-yl-7-(13-pentacyclo[12.8.0.02,11.03,8.015,20]docosa-1,3,5,7,9,11,13,15,17,19,21-undecaenyl)-2-phenylquinazoline;7-(13-pentacyclo[12.8.0.02,11.03,8.015,20]docosa-1,3,5,7,9,11,13,15,17,19,21-undecaenyl)-2,4-diphenylquinazoline;2-(5-pentacyclo[12.8.0.02,11.03,8.015,20]docosa-1(14),2(11),3(8),4,6,9,12,15,17,19,21-undecaenyl)-4-phenylquinazoline?

The canonical SMILES for 4-dibenzofuran-1-yl-2-(5-pentacyclo[12.8.0.02,11.03,8.015,20]docosa-1(14),2(11),3(8),4,6,9,12,15,17,19,21-undecaenyl)quinazoline;4-naphthalen-2-yl-7-(13-pentacyclo[12.8.0.02,11.03,8.015,20]docosa-1,3,5,7,9,11,13,15,17,19,21-undecaenyl)-2-phenylquinazoline;7-(13-pentacyclo[12.8.0.02,11.03,8.015,20]docosa-1,3,5,7,9,11,13,15,17,19,21-undecaenyl)-2,4-diphenylquinazoline;2-(5-pentacyclo[12.8.0.02,11.03,8.015,20]docosa-1(14),2(11),3(8),4,6,9,12,15,17,19,21-undecaenyl)-4-phenylquinazoline is c1ccc(-c2nc(-c3ccc4ccc5ccc6c7ccccc7ccc6c5c4c3)nc3ccccc23)cc1.c1ccc(-c2nc(-c3ccc4ccccc4c3)c3ccc(-c4cc5ccc6ccccc6c5c5ccc6ccccc6c45)cc3n2)cc1.c1ccc(-c2nc(-c3ccccc3)c3ccc(-c4cc5ccc6ccccc6c5c5ccc6ccccc6c45)cc3n2)cc1.c1ccc2c(c1)ccc1c2ccc2ccc3ccc(-c4nc(-c5cccc6oc7ccccc7c56)c5ccccc5n4)cc3c21.

What is the InChIKey of 4-dibenzofuran-1-yl-2-(5-pentacyclo[12.8.0.02,11.03,8.015,20]docosa-1(14),2(11),3(8),4,6,9,12,15,17,19,21-undecaenyl)quinazoline;4-naphthalen-2-yl-7-(13-pentacyclo[12.8.0.02,11.03,8.015,20]docosa-1,3,5,7,9,11,13,15,17,19,21-undecaenyl)-2-phenylquinazoline;7-(13-pentacyclo[12.8.0.02,11.03,8.015,20]docosa-1,3,5,7,9,11,13,15,17,19,21-undecaenyl)-2,4-diphenylquinazoline;2-(5-pentacyclo[12.8.0.02,11.03,8.015,20]docosa-1(14),2(11),3(8),4,6,9,12,15,17,19,21-undecaenyl)-4-phenylquinazoline?

The InChIKey is HMPFHIBSLSETMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H28N2.C42H24N2O.C42H26N2.C36H22N2/c1-2-13-32(14-3-1)46-47-42-28-34(23-24-39(42)45(48-46)36-21-18-29-10-4-5-15-33(29)26-36)41-27-35-20-19-30-11-6-8-16-37(30)43(35)40-25-22-31-12-7-9-17-38(31)44(40)41;1-2-9-29-25(8-1)20-23-31-30(29)22-21-27-18-16-26-17-19-28(24-35(26)39(27)31)42-43-36-13-5-3-10-32(36)41(44-42)34-12-7-15-38-40(34)33-11-4-6-14-37(33)45-38;1-3-13-29(14-4-1)41-35-23-22-31(26-38(35)43-42(44-41)30-15-5-2-6-16-30)37-25-32-20-19-27-11-7-9-17-33(27)39(32)36-24-21-28-12-8-10-18-34(28)40(36)37;1-2-9-26(10-3-1)35-31-12-6-7-13-33(31)37-36(38-35)27-17-15-24-14-16-25-19-20-29-28-11-5-4-8-23(28)18-21-30(29)34(25)32(24)22-27/h1-28H;1-24H;1-26H;1-22H.

What are the key properties of 4-dibenzofuran-1-yl-2-(5-pentacyclo[12.8.0.02,11.03,8.015,20]docosa-1(14),2(11),3(8),4,6,9,12,15,17,19,21-undecaenyl)quinazoline;4-naphthalen-2-yl-7-(13-pentacyclo[12.8.0.02,11.03,8.015,20]docosa-1,3,5,7,9,11,13,15,17,19,21-undecaenyl)-2-phenylquinazoline;7-(13-pentacyclo[12.8.0.02,11.03,8.015,20]docosa-1,3,5,7,9,11,13,15,17,19,21-undecaenyl)-2,4-diphenylquinazoline;2-(5-pentacyclo[12.8.0.02,11.03,8.015,20]docosa-1(14),2(11),3(8),4,6,9,12,15,17,19,21-undecaenyl)-4-phenylquinazoline?

4-dibenzofuran-1-yl-2-(5-pentacyclo[12.8.0.02,11.03,8.015,20]docosa-1(14),2(11),3(8),4,6,9,12,15,17,19,21-undecaenyl)quinazoline;4-naphthalen-2-yl-7-(13-pentacyclo[12.8.0.02,11.03,8.015,20]docosa-1,3,5,7,9,11,13,15,17,19,21-undecaenyl)-2-phenylquinazoline;7-(13-pentacyclo[12.8.0.02,11.03,8.015,20]docosa-1,3,5,7,9,11,13,15,17,19,21-undecaenyl)-2,4-diphenylquinazoline;2-(5-pentacyclo[12.8.0.02,11.03,8.015,20]docosa-1(14),2(11),3(8),4,6,9,12,15,17,19,21-undecaenyl)-4-phenylquinazoline has a molecular weight of 2222.68 g/mol, XLogP of 44.69, 10 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 4-dibenzofuran-1-yl-2-(5-pentacyclo[12.8.0.02,11.03,8.015,20]docosa-1(14),2(11),3(8),4,6,9,12,15,17,19,21-undecaenyl)quinazoline;4-naphthalen-2-yl-7-(13-pentacyclo[12.8.0.02,11.03,8.015,20]docosa-1,3,5,7,9,11,13,15,17,19,21-undecaenyl)-2-phenylquinazoline;7-(13-pentacyclo[12.8.0.02,11.03,8.015,20]docosa-1,3,5,7,9,11,13,15,17,19,21-undecaenyl)-2,4-diphenylquinazoline;2-(5-pentacyclo[12.8.0.02,11.03,8.015,20]docosa-1(14),2(11),3(8),4,6,9,12,15,17,19,21-undecaenyl)-4-phenylquinazoline is sourced from PubChem (CID 167583599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).