2-dibenzofuran-1-yl-4-(3,3-dimethyl-11-pentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1,4,6,8,10,12,16,18,20-nonaenyl)-6-phenyl-1,3,5-triazine

C44H31N3O — CID 134218171

IUPAC2-dibenzofuran-1-yl-4-(3,3-dimethyl-11-pentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1,4,6,8,10,12,16,18,20-nonaenyl)-6-phenyl-1,3,5-triazine
SMILESCC1(C)c2ccccc2-c2c(-c3nc(-c4ccccc4)nc(-c4cccc5oc6ccccc6c45)n3)cc3c(c21)-c1ccccc1CC3
InChIInChI=1S/C44H31N3O/c1-44(2)34-20-10-8-17-30(34)39-33(25-28-24-23-26-13-6-7-16-29(26)37(28)40(39)44)43-46-41(27-14-4-3-5-15-27)45-42(47-43)32-19-12-22-36-38(32)31-18-9-11-21-35(31)48-36/h3-22,25H,23-24H2,1-2H3
InChIKeyBIOMFKMTMDSKSB-UHFFFAOYSA-N
MW617.75 g/mol
LogP10.84
Rot. Bonds3

About 2-dibenzofuran-1-yl-4-(3,3-dimethyl-11-pentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1,4,6,8,10,12,16,18,20-nonaenyl)-6-phenyl-1,3,5-triazine

2-dibenzofuran-1-yl-4-(3,3-dimethyl-11-pentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1,4,6,8,10,12,16,18,20-nonaenyl)-6-phenyl-1,3,5-triazine (PubChem CID 134218171) has the molecular formula C44H31N3O and a molecular weight of 617.75 g/mol. Its IUPAC name is 2-dibenzofuran-1-yl-4-(3,3-dimethyl-11-pentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1,4,6,8,10,12,16,18,20-nonaenyl)-6-phenyl-1,3,5-triazine.

Molecular Properties

Compound Name2-dibenzofuran-1-yl-4-(3,3-dimethyl-11-pentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1,4,6,8,10,12,16,18,20-nonaenyl)-6-phenyl-1,3,5-triazine
PubChem CID134218171
Molecular FormulaC44H31N3O
Molecular Weight617.75 g/mol
Exact Mass617.25
IUPAC Name2-dibenzofuran-1-yl-4-(3,3-dimethyl-11-pentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1,4,6,8,10,12,16,18,20-nonaenyl)-6-phenyl-1,3,5-triazine
SMILESCC1(C)c2ccccc2-c2c(-c3nc(-c4ccccc4)nc(-c4cccc5oc6ccccc6c45)n3)cc3c(c21)-c1ccccc1CC3
InChIInChI=1S/C44H31N3O/c1-44(2)34-20-10-8-17-30(34)39-33(25-28-24-23-26-13-6-7-16-29(26)37(28)40(39)44)43-46-41(27-14-4-3-5-15-27)45-42(47-43)32-19-12-22-36-38(32)31-18-9-11-21-35(31)48-36/h3-22,25H,23-24H2,1-2H3
InChIKeyBIOMFKMTMDSKSB-UHFFFAOYSA-N
XLogP10.84
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500617.75
LogP ≤ 510.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-dibenzofuran-1-yl-4-(3,3-dimethyl-11-pentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1,4,6,8,10,12,16,18,20-nonaenyl)-6-phenyl-1,3,5-triazine with MolForge

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Related Compounds

2-dibenzofuran-1-yl-4-(12,12-dimethyl-7H-indeno[1,2-a]fluoren-9-yl)-6-phenyl-1,3,5-triazine
CID 134218172
2-(12,12-dimethylfluoreno[2,1-b][1]benzofuran-7-yl)-4-naphthalen-1-yl-6-phenyl-1,3,5-triazine
CID 134237811
2-(12,12-dimethyl-7H-indeno[1,2-a]fluoren-5-yl)-4,6-diphenyl-1,3,5-triazine
CID 134218170
2-dibenzofuran-1-yl-4-[8-[4-(9,9-dimethylfluoren-4-yl)phenyl]dibenzofuran-1-yl]-6-(4-phenylphenyl)-1,3,5-triazine
CID 166003049
2-[8-[4-[4-(9,9-dimethylfluoren-4-yl)phenyl]phenyl]dibenzofuran-1-yl]-4,6-diphenyl-1,3,5-triazine
CID 153369225
2-[8-[7-(9,9-dimethylfluoren-4-yl)phenanthren-2-yl]dibenzofuran-1-yl]-4,6-diphenyl-1,3,5-triazine
CID 153369056
2-(6-dibenzofuran-1-yl-9,9-dimethylfluoren-4-yl)-4,6-diphenyl-1,3,5-triazine
CID 118507911
2-[8-[4-(9,9-dimethylfluoren-1-yl)phenyl]dibenzofuran-1-yl]-4,6-bis(4-phenylphenyl)-1,3,5-triazine
CID 166002481
2-[8-[4-(9,9-dimethylfluoren-1-yl)phenyl]dibenzofuran-1-yl]-4,6-diphenyl-1,3,5-triazine
CID 166003177
2-[4-[8-(9,10-dihydrophenanthren-3-yl)dibenzofuran-1-yl]phenyl]-4-(9,9-dimethylfluoren-2-yl)-6-phenyl-1,3,5-triazine
CID 140946329
2-(9,9-dimethylfluoren-4-yl)-4-(8-fluoranthen-3-yldibenzofuran-1-yl)-6-phenyl-1,3,5-triazine
CID 134199117
2-dibenzofuran-1-yl-4-[3-(9,9-dimethyl-2,3-dihydroindeno[1,2-f][1]benzofuran-7-yl)phenyl]-6-phenyl-1,3,5-triazine
CID 134237864

Frequently Asked Questions

What is the IUPAC name of 2-dibenzofuran-1-yl-4-(3,3-dimethyl-11-pentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1,4,6,8,10,12,16,18,20-nonaenyl)-6-phenyl-1,3,5-triazine?
The IUPAC name of 2-dibenzofuran-1-yl-4-(3,3-dimethyl-11-pentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1,4,6,8,10,12,16,18,20-nonaenyl)-6-phenyl-1,3,5-triazine (CID 134218171) is 2-dibenzofuran-1-yl-4-(3,3-dimethyl-11-pentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1,4,6,8,10,12,16,18,20-nonaenyl)-6-phenyl-1,3,5-triazine.
What is the SMILES notation for 2-dibenzofuran-1-yl-4-(3,3-dimethyl-11-pentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1,4,6,8,10,12,16,18,20-nonaenyl)-6-phenyl-1,3,5-triazine?
The canonical SMILES for 2-dibenzofuran-1-yl-4-(3,3-dimethyl-11-pentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1,4,6,8,10,12,16,18,20-nonaenyl)-6-phenyl-1,3,5-triazine is CC1(C)c2ccccc2-c2c(-c3nc(-c4ccccc4)nc(-c4cccc5oc6ccccc6c45)n3)cc3c(c21)-c1ccccc1CC3.
What is the InChIKey of 2-dibenzofuran-1-yl-4-(3,3-dimethyl-11-pentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1,4,6,8,10,12,16,18,20-nonaenyl)-6-phenyl-1,3,5-triazine?
The InChIKey is BIOMFKMTMDSKSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H31N3O/c1-44(2)34-20-10-8-17-30(34)39-33(25-28-24-23-26-13-6-7-16-29(26)37(28)40(39)44)43-46-41(27-14-4-3-5-15-27)45-42(47-43)32-19-12-22-36-38(32)31-18-9-11-21-35(31)48-36/h3-22,25H,23-24H2,1-2H3.
What are the key properties of 2-dibenzofuran-1-yl-4-(3,3-dimethyl-11-pentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1,4,6,8,10,12,16,18,20-nonaenyl)-6-phenyl-1,3,5-triazine?
2-dibenzofuran-1-yl-4-(3,3-dimethyl-11-pentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1,4,6,8,10,12,16,18,20-nonaenyl)-6-phenyl-1,3,5-triazine has a molecular weight of 617.75 g/mol, XLogP of 10.84, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-dibenzofuran-1-yl-4-(3,3-dimethyl-11-pentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1,4,6,8,10,12,16,18,20-nonaenyl)-6-phenyl-1,3,5-triazine is sourced from PubChem (CID 134218171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).