2-dibenzofuran-1-yl-4-(9-oxapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3(8),4,6,11,14,16,18,20-decaen-5-yl)-6-phenyl-1,3,5-triazine;N-(9,9-dimethyl-19-pentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16(21),17,19-decaenyl)-N-(2-phenylphenyl)dibenzothiophen-2-amine;2-naphthalen-2-yl-4-(9-oxapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3(8),4,6,11,14,16,18,20-decaen-5-yl)-6-phenyl-1,3,5-triazine;2-[3-(9-oxapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3(8),4,6,11,14,16,18,20-decaen-5-yl)phenyl]-4,6-diphenyl-1,3,5-triazine;2-(9-oxapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3(8),4,6,11,14,16,18,20-decaen-5-yl)-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine

C209H129N13O5S — CID 161176972

IUPAC2-dibenzofuran-1-yl-4-(9-oxapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3(8),4,6,11,14,16,18,20-decaen-5-yl)-6-phenyl-1,3,5-triazine;N-(9,9-dimethyl-19-pentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16(21),17,19-decaenyl)-N-(2-phenylphenyl)dibenzothiophen-2-amine;2-naphthalen-2-yl-4-(9-oxapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3(8),4,6,11,14,16,18,20-decaen-5-yl)-6-phenyl-1,3,5-triazine;2-[3-(9-oxapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3(8),4,6,11,14,16,18,20-decaen-5-yl)phenyl]-4,6-diphenyl-1,3,5-triazine;2-(9-oxapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3(8),4,6,11,14,16,18,20-decaen-5-yl)-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
SMILESCC1(C)c2ccccc2-c2c1ccc1ccc3ccc(N(c4ccc5sc6ccccc6c5c4)c4ccccc4-c4ccccc4)cc3c21.c1ccc(-c2ccc(-c3nc(-c4ccccc4)nc(-c4ccc5oc6ccc7ccc8ccccc8c7c6c5c4)n3)cc2)cc1.c1ccc(-c2nc(-c3ccc4ccccc4c3)nc(-c3ccc4oc5ccc6ccc7ccccc7c6c5c4c3)n2)cc1.c1ccc(-c2nc(-c3ccc4oc5ccc6ccc7ccccc7c6c5c4c3)nc(-c3cccc4oc5ccccc5c34)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc(-c4ccc5oc6ccc7ccc8ccccc8c7c6c5c4)c3)n2)cc1
InChIInChI=1S/C47H33NS.C41H23N3O2.2C41H25N3O.C39H23N3O/c1-47(2)40-17-9-6-16-37(40)46-41(47)26-23-32-21-20-31-22-24-33(28-38(31)45(32)46)48(42-18-10-7-14-35(42)30-12-4-3-5-13-30)34-25-27-44-39(29-34)36-15-8-11-19-43(36)49-44;1-2-10-26(11-3-1)39-42-40(44-41(43-39)30-14-8-16-34-37(30)29-13-6-7-15-32(29)45-34)27-20-21-33-31(23-27)38-35(46-33)22-19-25-18-17-24-9-4-5-12-28(24)36(25)38;1-3-11-28(12-4-1)39-42-40(29-13-5-2-6-14-29)44-41(43-39)32-16-9-15-30(24-32)31-21-22-35-34(25-31)38-36(45-35)23-20-27-19-18-26-10-7-8-17-33(26)37(27)38;1-3-9-26(10-4-1)27-15-19-31(20-16-27)40-42-39(30-12-5-2-6-13-30)43-41(44-40)32-22-23-35-34(25-32)38-36(45-35)24-21-29-18-17-28-11-7-8-14-33(28)37(29)38;1-2-10-27(11-3-1)37-40-38(29-17-14-24-8-4-5-12-28(24)22-29)42-39(41-37)30-19-20-33-32(23-30)36-34(43-33)21-18-26-16-15-25-9-6-7-13-31(25)35(26)36/h3-29H,1-2H3;1-23H;2*1-25H;1-23H
InChIKeyURYCOEAWLJZZIT-UHFFFAOYSA-N
MW2934.48 g/mol
LogP56.50
Rot. Bonds18

About 2-dibenzofuran-1-yl-4-(9-oxapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3(8),4,6,11,14,16,18,20-decaen-5-yl)-6-phenyl-1,3,5-triazine;N-(9,9-dimethyl-19-pentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16(21),17,19-decaenyl)-N-(2-phenylphenyl)dibenzothiophen-2-amine;2-naphthalen-2-yl-4-(9-oxapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3(8),4,6,11,14,16,18,20-decaen-5-yl)-6-phenyl-1,3,5-triazine;2-[3-(9-oxapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3(8),4,6,11,14,16,18,20-decaen-5-yl)phenyl]-4,6-diphenyl-1,3,5-triazine;2-(9-oxapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3(8),4,6,11,14,16,18,20-decaen-5-yl)-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine

2-dibenzofuran-1-yl-4-(9-oxapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3(8),4,6,11,14,16,18,20-decaen-5-yl)-6-phenyl-1,3,5-triazine;N-(9,9-dimethyl-19-pentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16(21),17,19-decaenyl)-N-(2-phenylphenyl)dibenzothiophen-2-amine;2-naphthalen-2-yl-4-(9-oxapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3(8),4,6,11,14,16,18,20-decaen-5-yl)-6-phenyl-1,3,5-triazine;2-[3-(9-oxapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3(8),4,6,11,14,16,18,20-decaen-5-yl)phenyl]-4,6-diphenyl-1,3,5-triazine;2-(9-oxapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3(8),4,6,11,14,16,18,20-decaen-5-yl)-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine (PubChem CID 161176972) has the molecular formula C209H129N13O5S and a molecular weight of 2934.48 g/mol. Its IUPAC name is 2-dibenzofuran-1-yl-4-(9-oxapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3(8),4,6,11,14,16,18,20-decaen-5-yl)-6-phenyl-1,3,5-triazine;N-(9,9-dimethyl-19-pentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16(21),17,19-decaenyl)-N-(2-phenylphenyl)dibenzothiophen-2-amine;2-naphthalen-2-yl-4-(9-oxapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3(8),4,6,11,14,16,18,20-decaen-5-yl)-6-phenyl-1,3,5-triazine;2-[3-(9-oxapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3(8),4,6,11,14,16,18,20-decaen-5-yl)phenyl]-4,6-diphenyl-1,3,5-triazine;2-(9-oxapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3(8),4,6,11,14,16,18,20-decaen-5-yl)-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine.

Molecular Properties

Compound Name2-dibenzofuran-1-yl-4-(9-oxapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3(8),4,6,11,14,16,18,20-decaen-5-yl)-6-phenyl-1,3,5-triazine;N-(9,9-dimethyl-19-pentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16(21),17,19-decaenyl)-N-(2-phenylphenyl)dibenzothiophen-2-amine;2-naphthalen-2-yl-4-(9-oxapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3(8),4,6,11,14,16,18,20-decaen-5-yl)-6-phenyl-1,3,5-triazine;2-[3-(9-oxapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3(8),4,6,11,14,16,18,20-decaen-5-yl)phenyl]-4,6-diphenyl-1,3,5-triazine;2-(9-oxapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3(8),4,6,11,14,16,18,20-decaen-5-yl)-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
PubChem CID161176972
Molecular FormulaC209H129N13O5S
Molecular Weight2934.48 g/mol
Exact Mass2932.00
IUPAC Name2-dibenzofuran-1-yl-4-(9-oxapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3(8),4,6,11,14,16,18,20-decaen-5-yl)-6-phenyl-1,3,5-triazine;N-(9,9-dimethyl-19-pentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16(21),17,19-decaenyl)-N-(2-phenylphenyl)dibenzothiophen-2-amine;2-naphthalen-2-yl-4-(9-oxapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3(8),4,6,11,14,16,18,20-decaen-5-yl)-6-phenyl-1,3,5-triazine;2-[3-(9-oxapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3(8),4,6,11,14,16,18,20-decaen-5-yl)phenyl]-4,6-diphenyl-1,3,5-triazine;2-(9-oxapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3(8),4,6,11,14,16,18,20-decaen-5-yl)-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
SMILESCC1(C)c2ccccc2-c2c1ccc1ccc3ccc(N(c4ccc5sc6ccccc6c5c4)c4ccccc4-c4ccccc4)cc3c21.c1ccc(-c2ccc(-c3nc(-c4ccccc4)nc(-c4ccc5oc6ccc7ccc8ccccc8c7c6c5c4)n3)cc2)cc1.c1ccc(-c2nc(-c3ccc4ccccc4c3)nc(-c3ccc4oc5ccc6ccc7ccccc7c6c5c4c3)n2)cc1.c1ccc(-c2nc(-c3ccc4oc5ccc6ccc7ccccc7c6c5c4c3)nc(-c3cccc4oc5ccccc5c34)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc(-c4ccc5oc6ccc7ccc8ccccc8c7c6c5c4)c3)n2)cc1
InChIInChI=1S/C47H33NS.C41H23N3O2.2C41H25N3O.C39H23N3O/c1-47(2)40-17-9-6-16-37(40)46-41(47)26-23-32-21-20-31-22-24-33(28-38(31)45(32)46)48(42-18-10-7-14-35(42)30-12-4-3-5-13-30)34-25-27-44-39(29-34)36-15-8-11-19-43(36)49-44;1-2-10-26(11-3-1)39-42-40(44-41(43-39)30-14-8-16-34-37(30)29-13-6-7-15-32(29)45-34)27-20-21-33-31(23-27)38-35(46-33)22-19-25-18-17-24-9-4-5-12-28(24)36(25)38;1-3-11-28(12-4-1)39-42-40(29-13-5-2-6-14-29)44-41(43-39)32-16-9-15-30(24-32)31-21-22-35-34(25-31)38-36(45-35)23-20-27-19-18-26-10-7-8-17-33(26)37(27)38;1-3-9-26(10-4-1)27-15-19-31(20-16-27)40-42-39(30-12-5-2-6-13-30)43-41(44-40)32-22-23-35-34(25-32)38-36(45-35)24-21-29-18-17-28-11-7-8-14-33(28)37(29)38;1-2-10-27(11-3-1)37-40-38(29-17-14-24-8-4-5-12-28(24)22-29)42-39(41-37)30-19-20-33-32(23-30)36-34(43-33)21-18-26-16-15-25-9-6-7-13-31(25)35(26)36/h3-29H,1-2H3;1-23H;2*1-25H;1-23H
InChIKeyURYCOEAWLJZZIT-UHFFFAOYSA-N
XLogP56.50
TPSA223.62 Ų
H-Bond Donors
H-Bond Acceptors19
Rotatable Bonds18
Heavy Atoms228
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002934.48
LogP ≤ 556.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1019

Computed Properties (RDKit)

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

Analyze 2-dibenzofuran-1-yl-4-(9-oxapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3(8),4,6,11,14,16,18,20-decaen-5-yl)-6-phenyl-1,3,5-triazine;N-(9,9-dimethyl-19-pentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16(21),17,19-decaenyl)-N-(2-phenylphenyl)dibenzothiophen-2-amine;2-naphthalen-2-yl-4-(9-oxapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3(8),4,6,11,14,16,18,20-decaen-5-yl)-6-phenyl-1,3,5-triazine;2-[3-(9-oxapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3(8),4,6,11,14,16,18,20-decaen-5-yl)phenyl]-4,6-diphenyl-1,3,5-triazine;2-(9-oxapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3(8),4,6,11,14,16,18,20-decaen-5-yl)-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-dibenzofuran-1-yl-4-(9-oxapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3(8),4,6,11,14,16,18,20-decaen-5-yl)-6-phenyl-1,3,5-triazine;N-(9,9-dimethyl-19-pentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16(21),17,19-decaenyl)-N-(2-phenylphenyl)dibenzothiophen-2-amine;2-naphthalen-2-yl-4-(9-oxapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3(8),4,6,11,14,16,18,20-decaen-5-yl)-6-phenyl-1,3,5-triazine;2-[3-(9-oxapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3(8),4,6,11,14,16,18,20-decaen-5-yl)phenyl]-4,6-diphenyl-1,3,5-triazine;2-(9-oxapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3(8),4,6,11,14,16,18,20-decaen-5-yl)-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine?
The IUPAC name of 2-dibenzofuran-1-yl-4-(9-oxapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3(8),4,6,11,14,16,18,20-decaen-5-yl)-6-phenyl-1,3,5-triazine;N-(9,9-dimethyl-19-pentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16(21),17,19-decaenyl)-N-(2-phenylphenyl)dibenzothiophen-2-amine;2-naphthalen-2-yl-4-(9-oxapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3(8),4,6,11,14,16,18,20-decaen-5-yl)-6-phenyl-1,3,5-triazine;2-[3-(9-oxapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3(8),4,6,11,14,16,18,20-decaen-5-yl)phenyl]-4,6-diphenyl-1,3,5-triazine;2-(9-oxapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3(8),4,6,11,14,16,18,20-decaen-5-yl)-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine (CID 161176972) is 2-dibenzofuran-1-yl-4-(9-oxapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3(8),4,6,11,14,16,18,20-decaen-5-yl)-6-phenyl-1,3,5-triazine;N-(9,9-dimethyl-19-pentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16(21),17,19-decaenyl)-N-(2-phenylphenyl)dibenzothiophen-2-amine;2-naphthalen-2-yl-4-(9-oxapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3(8),4,6,11,14,16,18,20-decaen-5-yl)-6-phenyl-1,3,5-triazine;2-[3-(9-oxapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3(8),4,6,11,14,16,18,20-decaen-5-yl)phenyl]-4,6-diphenyl-1,3,5-triazine;2-(9-oxapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3(8),4,6,11,14,16,18,20-decaen-5-yl)-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine.
What is the SMILES notation for 2-dibenzofuran-1-yl-4-(9-oxapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3(8),4,6,11,14,16,18,20-decaen-5-yl)-6-phenyl-1,3,5-triazine;N-(9,9-dimethyl-19-pentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16(21),17,19-decaenyl)-N-(2-phenylphenyl)dibenzothiophen-2-amine;2-naphthalen-2-yl-4-(9-oxapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3(8),4,6,11,14,16,18,20-decaen-5-yl)-6-phenyl-1,3,5-triazine;2-[3-(9-oxapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3(8),4,6,11,14,16,18,20-decaen-5-yl)phenyl]-4,6-diphenyl-1,3,5-triazine;2-(9-oxapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3(8),4,6,11,14,16,18,20-decaen-5-yl)-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine?
The canonical SMILES for 2-dibenzofuran-1-yl-4-(9-oxapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3(8),4,6,11,14,16,18,20-decaen-5-yl)-6-phenyl-1,3,5-triazine;N-(9,9-dimethyl-19-pentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16(21),17,19-decaenyl)-N-(2-phenylphenyl)dibenzothiophen-2-amine;2-naphthalen-2-yl-4-(9-oxapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3(8),4,6,11,14,16,18,20-decaen-5-yl)-6-phenyl-1,3,5-triazine;2-[3-(9-oxapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3(8),4,6,11,14,16,18,20-decaen-5-yl)phenyl]-4,6-diphenyl-1,3,5-triazine;2-(9-oxapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3(8),4,6,11,14,16,18,20-decaen-5-yl)-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine is CC1(C)c2ccccc2-c2c1ccc1ccc3ccc(N(c4ccc5sc6ccccc6c5c4)c4ccccc4-c4ccccc4)cc3c21.c1ccc(-c2ccc(-c3nc(-c4ccccc4)nc(-c4ccc5oc6ccc7ccc8ccccc8c7c6c5c4)n3)cc2)cc1.c1ccc(-c2nc(-c3ccc4ccccc4c3)nc(-c3ccc4oc5ccc6ccc7ccccc7c6c5c4c3)n2)cc1.c1ccc(-c2nc(-c3ccc4oc5ccc6ccc7ccccc7c6c5c4c3)nc(-c3cccc4oc5ccccc5c34)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc(-c4ccc5oc6ccc7ccc8ccccc8c7c6c5c4)c3)n2)cc1.
What is the InChIKey of 2-dibenzofuran-1-yl-4-(9-oxapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3(8),4,6,11,14,16,18,20-decaen-5-yl)-6-phenyl-1,3,5-triazine;N-(9,9-dimethyl-19-pentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16(21),17,19-decaenyl)-N-(2-phenylphenyl)dibenzothiophen-2-amine;2-naphthalen-2-yl-4-(9-oxapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3(8),4,6,11,14,16,18,20-decaen-5-yl)-6-phenyl-1,3,5-triazine;2-[3-(9-oxapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3(8),4,6,11,14,16,18,20-decaen-5-yl)phenyl]-4,6-diphenyl-1,3,5-triazine;2-(9-oxapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3(8),4,6,11,14,16,18,20-decaen-5-yl)-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine?
The InChIKey is URYCOEAWLJZZIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H33NS.C41H23N3O2.2C41H25N3O.C39H23N3O/c1-47(2)40-17-9-6-16-37(40)46-41(47)26-23-32-21-20-31-22-24-33(28-38(31)45(32)46)48(42-18-10-7-14-35(42)30-12-4-3-5-13-30)34-25-27-44-39(29-34)36-15-8-11-19-43(36)49-44;1-2-10-26(11-3-1)39-42-40(44-41(43-39)30-14-8-16-34-37(30)29-13-6-7-15-32(29)45-34)27-20-21-33-31(23-27)38-35(46-33)22-19-25-18-17-24-9-4-5-12-28(24)36(25)38;1-3-11-28(12-4-1)39-42-40(29-13-5-2-6-14-29)44-41(43-39)32-16-9-15-30(24-32)31-21-22-35-34(25-31)38-36(45-35)23-20-27-19-18-26-10-7-8-17-33(26)37(27)38;1-3-9-26(10-4-1)27-15-19-31(20-16-27)40-42-39(30-12-5-2-6-13-30)43-41(44-40)32-22-23-35-34(25-32)38-36(45-35)24-21-29-18-17-28-11-7-8-14-33(28)37(29)38;1-2-10-27(11-3-1)37-40-38(29-17-14-24-8-4-5-12-28(24)22-29)42-39(41-37)30-19-20-33-32(23-30)36-34(43-33)21-18-26-16-15-25-9-6-7-13-31(25)35(26)36/h3-29H,1-2H3;1-23H;2*1-25H;1-23H.
What are the key properties of 2-dibenzofuran-1-yl-4-(9-oxapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3(8),4,6,11,14,16,18,20-decaen-5-yl)-6-phenyl-1,3,5-triazine;N-(9,9-dimethyl-19-pentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16(21),17,19-decaenyl)-N-(2-phenylphenyl)dibenzothiophen-2-amine;2-naphthalen-2-yl-4-(9-oxapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3(8),4,6,11,14,16,18,20-decaen-5-yl)-6-phenyl-1,3,5-triazine;2-[3-(9-oxapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3(8),4,6,11,14,16,18,20-decaen-5-yl)phenyl]-4,6-diphenyl-1,3,5-triazine;2-(9-oxapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3(8),4,6,11,14,16,18,20-decaen-5-yl)-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine?
2-dibenzofuran-1-yl-4-(9-oxapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3(8),4,6,11,14,16,18,20-decaen-5-yl)-6-phenyl-1,3,5-triazine;N-(9,9-dimethyl-19-pentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16(21),17,19-decaenyl)-N-(2-phenylphenyl)dibenzothiophen-2-amine;2-naphthalen-2-yl-4-(9-oxapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3(8),4,6,11,14,16,18,20-decaen-5-yl)-6-phenyl-1,3,5-triazine;2-[3-(9-oxapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3(8),4,6,11,14,16,18,20-decaen-5-yl)phenyl]-4,6-diphenyl-1,3,5-triazine;2-(9-oxapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3(8),4,6,11,14,16,18,20-decaen-5-yl)-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine has a molecular weight of 2934.48 g/mol, XLogP of 56.50, 18 rotatable bonds, 0 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for 2-dibenzofuran-1-yl-4-(9-oxapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3(8),4,6,11,14,16,18,20-decaen-5-yl)-6-phenyl-1,3,5-triazine;N-(9,9-dimethyl-19-pentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16(21),17,19-decaenyl)-N-(2-phenylphenyl)dibenzothiophen-2-amine;2-naphthalen-2-yl-4-(9-oxapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3(8),4,6,11,14,16,18,20-decaen-5-yl)-6-phenyl-1,3,5-triazine;2-[3-(9-oxapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3(8),4,6,11,14,16,18,20-decaen-5-yl)phenyl]-4,6-diphenyl-1,3,5-triazine;2-(9-oxapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3(8),4,6,11,14,16,18,20-decaen-5-yl)-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine is sourced from PubChem (CID 161176972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).