2-(2-chlorodibenzofuran-1-yl)-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine;pentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaene;12-[1-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-2-yl]-12-azapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaene

C107H66ClN7O2 — CID 165092252

About 2-(2-chlorodibenzofuran-1-yl)-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine;pentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaene;12-[1-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-2-yl]-12-azapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaene

2-(2-chlorodibenzofuran-1-yl)-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine;pentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaene;12-[1-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-2-yl]-12-azapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaene (PubChem CID 165092252) has the molecular formula C107H66ClN7O2 and a molecular weight of 1517.20 g/mol. Its IUPAC name is 2-(2-chlorodibenzofuran-1-yl)-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine;pentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaene;12-[1-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-2-yl]-12-azapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaene.

Molecular Properties

• Compound Name: 2-(2-chlorodibenzofuran-1-yl)-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine;pentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaene;12-[1-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-2-yl]-12-azapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaene
• PubChem CID: 165092252
• Molecular Formula: C107H66ClN7O2
• Molecular Weight: 1517.20 g/mol
• Exact Mass: 1515.50
• IUPAC Name: 2-(2-chlorodibenzofuran-1-yl)-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine;pentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaene;12-[1-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-2-yl]-12-azapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaene
• SMILES: Clc1ccc2oc3ccccc3c2c1-c1nc(-c2ccccc2)nc(-c2ccc(-c3ccccc3)cc2)n1.c1ccc(-c2ccc(-c3nc(-c4ccccc4)nc(-c4c(-n5c6cc7ccccc7cc6c6c7ccccc7ccc65)ccc5oc6ccccc6c45)n3)cc2)cc1.c1ccc2cc3c(cc2c1)Cc1ccc2ccccc2c1-3
• InChI: InChI=1S/C53H32N4O.C33H20ClN3O.C21H14/c1-3-13-33(14-4-1)34-23-25-37(26-24-34)52-54-51(36-16-5-2-6-17-36)55-53(56-52)50-44(29-30-47-49(50)41-21-11-12-22-46(41)58-47)57-43-28-27-35-15-9-10-20-40(35)48(43)42-31-38-18-7-8-19-39(38)32-45(42)57;34-26-19-20-28-29(25-13-7-8-14-27(25)38-28)30(26)33-36-31(23-11-5-2-6-12-23)35-32(37-33)24-17-15-22(16-18-24)21-9-3-1-4-10-21;1-2-7-16-13-20-18(11-15(16)6-1)12-17-10-9-14-5-3-4-8-19(14)21(17)20/h1-32H;1-20H;1-11,13H,12H2
• InChIKey: WXIDAKWTBKWPRN-UHFFFAOYSA-N
• XLogP: 28.50
• TPSA: 108.55 Ų
• H-Bond Acceptors: 9
• Rotatable Bonds: 9
• Heavy Atoms: 117
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1517.20
LogP ≤ 5	28.50
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorodibenzofuran-1-yl)-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine;pentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaene;12-[1-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-2-yl]-12-azapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaene?

The IUPAC name of 2-(2-chlorodibenzofuran-1-yl)-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine;pentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaene;12-[1-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-2-yl]-12-azapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaene (CID 165092252) is 2-(2-chlorodibenzofuran-1-yl)-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine;pentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaene;12-[1-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-2-yl]-12-azapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaene.

What is the SMILES notation for 2-(2-chlorodibenzofuran-1-yl)-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine;pentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaene;12-[1-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-2-yl]-12-azapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaene?

The canonical SMILES for 2-(2-chlorodibenzofuran-1-yl)-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine;pentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaene;12-[1-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-2-yl]-12-azapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaene is Clc1ccc2oc3ccccc3c2c1-c1nc(-c2ccccc2)nc(-c2ccc(-c3ccccc3)cc2)n1.c1ccc(-c2ccc(-c3nc(-c4ccccc4)nc(-c4c(-n5c6cc7ccccc7cc6c6c7ccccc7ccc65)ccc5oc6ccccc6c45)n3)cc2)cc1.c1ccc2cc3c(cc2c1)Cc1ccc2ccccc2c1-3.

What is the InChIKey of 2-(2-chlorodibenzofuran-1-yl)-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine;pentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaene;12-[1-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-2-yl]-12-azapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaene?

The InChIKey is WXIDAKWTBKWPRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H32N4O.C33H20ClN3O.C21H14/c1-3-13-33(14-4-1)34-23-25-37(26-24-34)52-54-51(36-16-5-2-6-17-36)55-53(56-52)50-44(29-30-47-49(50)41-21-11-12-22-46(41)58-47)57-43-28-27-35-15-9-10-20-40(35)48(43)42-31-38-18-7-8-19-39(38)32-45(42)57;34-26-19-20-28-29(25-13-7-8-14-27(25)38-28)30(26)33-36-31(23-11-5-2-6-12-23)35-32(37-33)24-17-15-22(16-18-24)21-9-3-1-4-10-21;1-2-7-16-13-20-18(11-15(16)6-1)12-17-10-9-14-5-3-4-8-19(14)21(17)20/h1-32H;1-20H;1-11,13H,12H2.

What are the key properties of 2-(2-chlorodibenzofuran-1-yl)-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine;pentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaene;12-[1-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-2-yl]-12-azapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaene?

2-(2-chlorodibenzofuran-1-yl)-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine;pentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaene;12-[1-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-2-yl]-12-azapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaene has a molecular weight of 1517.20 g/mol, XLogP of 28.50, 9 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(2-chlorodibenzofuran-1-yl)-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine;pentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaene;12-[1-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-2-yl]-12-azapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaene is sourced from PubChem (CID 165092252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).