2-dibenzofuran-1-yl-4-[3-(6-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)phenyl]-6-phenyl-1,3,5-triazine;2-(9,9-dimethylfluoren-2-yl)-4-[3-(6-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)phenyl]-6-phenyl-1,3,5-triazine

C101H64N6O — CID 167675014

About 2-dibenzofuran-1-yl-4-[3-(6-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)phenyl]-6-phenyl-1,3,5-triazine;2-(9,9-dimethylfluoren-2-yl)-4-[3-(6-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)phenyl]-6-phenyl-1,3,5-triazine

2-dibenzofuran-1-yl-4-[3-(6-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)phenyl]-6-phenyl-1,3,5-triazine;2-(9,9-dimethylfluoren-2-yl)-4-[3-(6-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)phenyl]-6-phenyl-1,3,5-triazine (PubChem CID 167675014) has the molecular formula C101H64N6O and a molecular weight of 1377.66 g/mol. Its IUPAC name is 2-dibenzofuran-1-yl-4-[3-(6-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)phenyl]-6-phenyl-1,3,5-triazine;2-(9,9-dimethylfluoren-2-yl)-4-[3-(6-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)phenyl]-6-phenyl-1,3,5-triazine.

Molecular Properties

• Compound Name: 2-dibenzofuran-1-yl-4-[3-(6-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)phenyl]-6-phenyl-1,3,5-triazine;2-(9,9-dimethylfluoren-2-yl)-4-[3-(6-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)phenyl]-6-phenyl-1,3,5-triazine
• PubChem CID: 167675014
• Molecular Formula: C101H64N6O
• Molecular Weight: 1377.66 g/mol
• Exact Mass: 1376.51
• IUPAC Name: 2-dibenzofuran-1-yl-4-[3-(6-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)phenyl]-6-phenyl-1,3,5-triazine;2-(9,9-dimethylfluoren-2-yl)-4-[3-(6-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)phenyl]-6-phenyl-1,3,5-triazine
• SMILES: CC1(C)c2ccccc2-c2ccc(-c3nc(-c4ccccc4)nc(-c4cccc(-c5ccc6c(ccc7ccc8c9ccccc9ccc8c76)c5)c4)n3)cc21.c1ccc(-c2nc(-c3cccc(-c4ccc5c(ccc6ccc7c8ccccc8ccc7c65)c4)c3)nc(-c3cccc4oc5ccccc5c34)n2)cc1
• InChI: InChI=1S/C52H35N3.C49H29N3O/c1-52(2)46-18-9-8-17-43(46)44-27-24-39(31-47(44)52)51-54-49(34-12-4-3-5-13-34)53-50(55-51)38-15-10-14-35(30-38)36-23-25-41-37(29-36)20-19-33-22-26-42-40-16-7-6-11-32(40)21-28-45(42)48(33)41;1-2-11-32(12-3-1)47-50-48(52-49(51-47)42-17-9-19-44-46(42)41-16-6-7-18-43(41)53-44)36-14-8-13-33(29-36)34-24-25-38-35(28-34)21-20-31-23-26-39-37-15-5-4-10-30(37)22-27-40(39)45(31)38/h3-31H,1-2H3;1-29H
• InChIKey: URIBAJDZJYIEKK-UHFFFAOYSA-N
• XLogP: 26.51
• TPSA: 90.48 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 8
• Heavy Atoms: 108
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1377.66
LogP ≤ 5	26.51
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-dibenzofuran-1-yl-4-[3-(6-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)phenyl]-6-phenyl-1,3,5-triazine;2-(9,9-dimethylfluoren-2-yl)-4-[3-(6-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)phenyl]-6-phenyl-1,3,5-triazine?

The IUPAC name of 2-dibenzofuran-1-yl-4-[3-(6-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)phenyl]-6-phenyl-1,3,5-triazine;2-(9,9-dimethylfluoren-2-yl)-4-[3-(6-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)phenyl]-6-phenyl-1,3,5-triazine (CID 167675014) is 2-dibenzofuran-1-yl-4-[3-(6-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)phenyl]-6-phenyl-1,3,5-triazine;2-(9,9-dimethylfluoren-2-yl)-4-[3-(6-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)phenyl]-6-phenyl-1,3,5-triazine.

What is the SMILES notation for 2-dibenzofuran-1-yl-4-[3-(6-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)phenyl]-6-phenyl-1,3,5-triazine;2-(9,9-dimethylfluoren-2-yl)-4-[3-(6-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)phenyl]-6-phenyl-1,3,5-triazine?

The canonical SMILES for 2-dibenzofuran-1-yl-4-[3-(6-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)phenyl]-6-phenyl-1,3,5-triazine;2-(9,9-dimethylfluoren-2-yl)-4-[3-(6-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)phenyl]-6-phenyl-1,3,5-triazine is CC1(C)c2ccccc2-c2ccc(-c3nc(-c4ccccc4)nc(-c4cccc(-c5ccc6c(ccc7ccc8c9ccccc9ccc8c76)c5)c4)n3)cc21.c1ccc(-c2nc(-c3cccc(-c4ccc5c(ccc6ccc7c8ccccc8ccc7c65)c4)c3)nc(-c3cccc4oc5ccccc5c34)n2)cc1.

What is the InChIKey of 2-dibenzofuran-1-yl-4-[3-(6-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)phenyl]-6-phenyl-1,3,5-triazine;2-(9,9-dimethylfluoren-2-yl)-4-[3-(6-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)phenyl]-6-phenyl-1,3,5-triazine?

The InChIKey is URIBAJDZJYIEKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H35N3.C49H29N3O/c1-52(2)46-18-9-8-17-43(46)44-27-24-39(31-47(44)52)51-54-49(34-12-4-3-5-13-34)53-50(55-51)38-15-10-14-35(30-38)36-23-25-41-37(29-36)20-19-33-22-26-42-40-16-7-6-11-32(40)21-28-45(42)48(33)41;1-2-11-32(12-3-1)47-50-48(52-49(51-47)42-17-9-19-44-46(42)41-16-6-7-18-43(41)53-44)36-14-8-13-33(29-36)34-24-25-38-35(28-34)21-20-31-23-26-39-37-15-5-4-10-30(37)22-27-40(39)45(31)38/h3-31H,1-2H3;1-29H.

What are the key properties of 2-dibenzofuran-1-yl-4-[3-(6-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)phenyl]-6-phenyl-1,3,5-triazine;2-(9,9-dimethylfluoren-2-yl)-4-[3-(6-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)phenyl]-6-phenyl-1,3,5-triazine?

2-dibenzofuran-1-yl-4-[3-(6-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)phenyl]-6-phenyl-1,3,5-triazine;2-(9,9-dimethylfluoren-2-yl)-4-[3-(6-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)phenyl]-6-phenyl-1,3,5-triazine has a molecular weight of 1377.66 g/mol, XLogP of 26.51, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-dibenzofuran-1-yl-4-[3-(6-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)phenyl]-6-phenyl-1,3,5-triazine;2-(9,9-dimethylfluoren-2-yl)-4-[3-(6-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)phenyl]-6-phenyl-1,3,5-triazine is sourced from PubChem (CID 167675014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).