2-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]-1,5-diphenylbenzimidazole

C46H29N5O — CID 146513515

IUPAC2-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]-1,5-diphenylbenzimidazole
SMILESc1ccc(-c2ccc3c(c2)nc(-c2cccc4c2oc2c(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)cccc24)n3-c2ccccc2)cc1
InChIInChI=1S/C46H29N5O/c1-5-15-30(16-6-1)33-27-28-40-39(29-33)47-46(51(40)34-21-11-4-12-22-34)38-26-14-24-36-35-23-13-25-37(41(35)52-42(36)38)45-49-43(31-17-7-2-8-18-31)48-44(50-45)32-19-9-3-10-20-32/h1-29H
InChIKeySQCVDQSUBRNBAV-UHFFFAOYSA-N
MW667.77 g/mol
LogP11.44
Rot. Bonds6

About 2-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]-1,5-diphenylbenzimidazole

2-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]-1,5-diphenylbenzimidazole (PubChem CID 146513515) has the molecular formula C46H29N5O and a molecular weight of 667.77 g/mol. Its IUPAC name is 2-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]-1,5-diphenylbenzimidazole.

Molecular Properties

Compound Name2-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]-1,5-diphenylbenzimidazole
PubChem CID146513515
Molecular FormulaC46H29N5O
Molecular Weight667.77 g/mol
Exact Mass667.24
IUPAC Name2-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]-1,5-diphenylbenzimidazole
SMILESc1ccc(-c2ccc3c(c2)nc(-c2cccc4c2oc2c(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)cccc24)n3-c2ccccc2)cc1
InChIInChI=1S/C46H29N5O/c1-5-15-30(16-6-1)33-27-28-40-39(29-33)47-46(51(40)34-21-11-4-12-22-34)38-26-14-24-36-35-23-13-25-37(41(35)52-42(36)38)45-49-43(31-17-7-2-8-18-31)48-44(50-45)32-19-9-3-10-20-32/h1-29H
InChIKeySQCVDQSUBRNBAV-UHFFFAOYSA-N
XLogP11.44
TPSA69.63 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500667.77
LogP ≤ 511.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-[6-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]dibenzofuran-4-yl]-1-phenylbenzimidazole
CID 146513867
3-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]-9-phenyl-6-(9-phenylcarbazol-3-yl)carbazole
CID 122501655
2,4-bis(4-phenylphenyl)-6-[6-(4-phenylphenyl)dibenzofuran-4-yl]-1,3,5-triazine
CID 164797297
12-[3-(4-phenylphenyl)phenyl]-10-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-[1]benzofuro[2,3-a]carbazole
CID 163856123
2-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]-5,7-diphenylindolo[2,3-b]carbazole
CID 118020105
2,4-diphenyl-6-[6-[3-(3-phenylphenyl)phenyl]dibenzofuran-4-yl]-1,3,5-triazine
CID 171414948
2-phenyl-4-(3-phenylphenyl)-6-[4-[6-[4-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]dibenzofuran-4-yl]phenyl]-1,3,5-triazine
CID 177144922
1-phenyl-2-(3-phenylphenyl)-5-[10-(2-phenylphenyl)anthracen-9-yl]benzimidazole
CID 59010697
2-[6-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)-2-phenyldibenzothiophen-4-yl]-1-phenylbenzimidazole
CID 146513460
10-(4,6-diphenyl-1,3,5-triazin-2-yl)-12-(3-phenylphenyl)-[1]benzofuro[2,3-a]carbazole
CID 163856117
9-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]-1,3,6-triphenylcarbazole
CID 134236150
3-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-9-(3-phenylphenyl)-6-[9-(3-phenylphenyl)carbazol-3-yl]carbazole
CID 146620661

Frequently Asked Questions

What is the IUPAC name of 2-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]-1,5-diphenylbenzimidazole?
The IUPAC name of 2-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]-1,5-diphenylbenzimidazole (CID 146513515) is 2-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]-1,5-diphenylbenzimidazole.
What is the SMILES notation for 2-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]-1,5-diphenylbenzimidazole?
The canonical SMILES for 2-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]-1,5-diphenylbenzimidazole is c1ccc(-c2ccc3c(c2)nc(-c2cccc4c2oc2c(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)cccc24)n3-c2ccccc2)cc1.
What is the InChIKey of 2-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]-1,5-diphenylbenzimidazole?
The InChIKey is SQCVDQSUBRNBAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H29N5O/c1-5-15-30(16-6-1)33-27-28-40-39(29-33)47-46(51(40)34-21-11-4-12-22-34)38-26-14-24-36-35-23-13-25-37(41(35)52-42(36)38)45-49-43(31-17-7-2-8-18-31)48-44(50-45)32-19-9-3-10-20-32/h1-29H.
What are the key properties of 2-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]-1,5-diphenylbenzimidazole?
2-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]-1,5-diphenylbenzimidazole has a molecular weight of 667.77 g/mol, XLogP of 11.44, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]-1,5-diphenylbenzimidazole is sourced from PubChem (CID 146513515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).