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

C46H29N5O — CID 146513867

IUPAC2-[6-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]dibenzofuran-4-yl]-1-phenylbenzimidazole
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3cccc(-c4cccc5c4oc4c(-c6nc7ccccc7n6-c6ccccc6)cccc45)c3)n2)cc1
InChIInChI=1S/C46H29N5O/c1-4-15-30(16-5-1)43-48-44(31-17-6-2-7-18-31)50-45(49-43)33-20-12-19-32(29-33)35-23-13-24-36-37-25-14-26-38(42(37)52-41(35)36)46-47-39-27-10-11-28-40(39)51(46)34-21-8-3-9-22-34/h1-29H
InChIKeyIGUNIBBCBUSUAZ-UHFFFAOYSA-N
MW667.77 g/mol
LogP11.44
Rot. Bonds6

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

2-[6-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]dibenzofuran-4-yl]-1-phenylbenzimidazole (PubChem CID 146513867) has the molecular formula C46H29N5O and a molecular weight of 667.77 g/mol. Its IUPAC name is 2-[6-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]dibenzofuran-4-yl]-1-phenylbenzimidazole.

Molecular Properties

Compound Name2-[6-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]dibenzofuran-4-yl]-1-phenylbenzimidazole
PubChem CID146513867
Molecular FormulaC46H29N5O
Molecular Weight667.77 g/mol
Exact Mass667.24
IUPAC Name2-[6-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]dibenzofuran-4-yl]-1-phenylbenzimidazole
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3cccc(-c4cccc5c4oc4c(-c6nc7ccccc7n6-c6ccccc6)cccc45)c3)n2)cc1
InChIInChI=1S/C46H29N5O/c1-4-15-30(16-5-1)43-48-44(31-17-6-2-7-18-31)50-45(49-43)33-20-12-19-32(29-33)35-23-13-24-36-37-25-14-26-38(42(37)52-41(35)36)46-47-39-27-10-11-28-40(39)51(46)34-21-8-3-9-22-34/h1-29H
InChIKeyIGUNIBBCBUSUAZ-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-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]-1,5-diphenylbenzimidazole
CID 146513515
9-[4-phenyl-6-[3-(6-phenyldibenzofuran-4-yl)phenyl]-1,3,5-triazin-2-yl]carbazole
CID 171599823
2-phenyl-4,6-bis[3-(6-phenyldibenzofuran-4-yl)phenyl]-1,3,5-triazine
CID 139549183
9-phenyl-2-[4-phenyl-6-[9-(1-phenylbenzimidazol-2-yl)dibenzofuran-1-yl]-1,3,5-triazin-2-yl]carbazole
CID 147645952
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-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-2-yl]-1-phenylbenzimidazole
CID 129099562
2-[6-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)-2-phenyldibenzothiophen-4-yl]-1-phenylbenzimidazole
CID 146513460
8-[1-(4-phenylphenyl)benzimidazol-2-yl]-[1]benzofuro[2,3-b]pyridine
CID 156671868
1-phenyl-2-[4-triphenylen-2-yl-6-(3-triphenylen-2-ylphenyl)-1,3,5-triazin-2-yl]benzimidazole
CID 171812772
boranuide;4-[3-[4-(3-dibenzofuran-4-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-9-phenylcarbazole
CID 159052403
2-(3-dibenzofuran-4-yl-5-propan-2-ylphenyl)-1-phenylbenzimidazole
CID 58309599
9-[4-[9-(1-phenylbenzimidazol-2-yl)dibenzofuran-1-yl]-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]carbazole;9-[3-[4-phenyl-6-[9-(1-phenylbenzimidazol-2-yl)dibenzofuran-1-yl]-1,3,5-triazin-2-yl]phenyl]carbazole;9-[4-[4-phenyl-6-[9-(1-phenylbenzimidazol-2-yl)dibenzofuran-1-yl]-1,3,5-triazin-2-yl]phenyl]carbazole
CID 157395977

Frequently Asked Questions

What is the IUPAC name of 2-[6-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]dibenzofuran-4-yl]-1-phenylbenzimidazole?
The IUPAC name of 2-[6-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]dibenzofuran-4-yl]-1-phenylbenzimidazole (CID 146513867) is 2-[6-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]dibenzofuran-4-yl]-1-phenylbenzimidazole.
What is the SMILES notation for 2-[6-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]dibenzofuran-4-yl]-1-phenylbenzimidazole?
The canonical SMILES for 2-[6-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]dibenzofuran-4-yl]-1-phenylbenzimidazole is c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc(-c4cccc5c4oc4c(-c6nc7ccccc7n6-c6ccccc6)cccc45)c3)n2)cc1.
What is the InChIKey of 2-[6-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]dibenzofuran-4-yl]-1-phenylbenzimidazole?
The InChIKey is IGUNIBBCBUSUAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H29N5O/c1-4-15-30(16-5-1)43-48-44(31-17-6-2-7-18-31)50-45(49-43)33-20-12-19-32(29-33)35-23-13-24-36-37-25-14-26-38(42(37)52-41(35)36)46-47-39-27-10-11-28-40(39)51(46)34-21-8-3-9-22-34/h1-29H.
What are the key properties of 2-[6-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]dibenzofuran-4-yl]-1-phenylbenzimidazole?
2-[6-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]dibenzofuran-4-yl]-1-phenylbenzimidazole 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-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]dibenzofuran-4-yl]-1-phenylbenzimidazole is sourced from PubChem (CID 146513867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).