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

C52H31N5OS — CID 146513460

IUPAC2-[6-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)-2-phenyldibenzothiophen-4-yl]-1-phenylbenzimidazole
SMILESc1ccc(-c2cc(-c3nc4ccccc4n3-c3ccccc3)c3sc4c(-c5nc(-c6ccccc6)nc(-c6cccc7c6oc6ccccc67)n5)cccc4c3c2)cc1
InChIInChI=1S/C52H31N5OS/c1-4-16-32(17-5-1)34-30-41-38-24-15-26-40(47(38)59-48(41)42(31-34)52-53-43-27-11-12-28-44(43)57(52)35-20-8-3-9-21-35)51-55-49(33-18-6-2-7-19-33)54-50(56-51)39-25-14-23-37-36-22-10-13-29-45(36)58-46(37)39/h1-31H
InChIKeyPKIQPHUPHDFHNX-UHFFFAOYSA-N
MW773.92 g/mol
LogP13.81
Rot. Bonds6

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

2-[6-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)-2-phenyldibenzothiophen-4-yl]-1-phenylbenzimidazole (PubChem CID 146513460) has the molecular formula C52H31N5OS and a molecular weight of 773.92 g/mol. Its IUPAC name is 2-[6-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)-2-phenyldibenzothiophen-4-yl]-1-phenylbenzimidazole.

Molecular Properties

Compound Name2-[6-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)-2-phenyldibenzothiophen-4-yl]-1-phenylbenzimidazole
PubChem CID146513460
Molecular FormulaC52H31N5OS
Molecular Weight773.92 g/mol
Exact Mass773.22
IUPAC Name2-[6-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)-2-phenyldibenzothiophen-4-yl]-1-phenylbenzimidazole
SMILESc1ccc(-c2cc(-c3nc4ccccc4n3-c3ccccc3)c3sc4c(-c5nc(-c6ccccc6)nc(-c6cccc7c6oc6ccccc67)n5)cccc4c3c2)cc1
InChIInChI=1S/C52H31N5OS/c1-4-16-32(17-5-1)34-30-41-38-24-15-26-40(47(38)59-48(41)42(31-34)52-53-43-27-11-12-28-44(43)57(52)35-20-8-3-9-21-35)51-55-49(33-18-6-2-7-19-33)54-50(56-51)39-25-14-23-37-36-22-10-13-29-45(36)58-46(37)39/h1-31H
InChIKeyPKIQPHUPHDFHNX-UHFFFAOYSA-N
XLogP13.81
TPSA69.63 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms59
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500773.92
LogP ≤ 513.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

3-[4,6-bis(1,2-diphenylbenzimidazol-5-yl)-1,3,5-triazin-2-yl]-9-phenylcarbazole;9-[4-[4,6-bis(1,2-diphenylbenzimidazol-5-yl)-1,3,5-triazin-2-yl]phenyl]carbazole;5-[4-dibenzofuran-4-yl-6-(1,2-diphenylbenzimidazol-5-yl)-1,3,5-triazin-2-yl]-1,2-diphenylbenzimidazole;5-[4-dibenzothiophen-4-yl-6-(1,2-diphenylbenzimidazol-5-yl)-1,3,5-triazin-2-yl]-1,2-diphenylbenzimidazole;5-[4-(9,9-dimethylfluoren-2-yl)-6-(1,2-diphenylbenzimidazol-5-yl)-1,3,5-triazin-2-yl]-1,2-diphenylbenzimidazole;1,2-diphenyl-5-[4-[4-phenyl-6-[4-(1-phenylbenzimidazol-2-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]benzimidazole
CID 159852810
2-[6-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]dibenzofuran-4-yl]-1-phenylbenzimidazole
CID 146513867
11-[4-dibenzofuran-3-yl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]-5-phenyl-[1]benzothiolo[3,2-c]carbazole;11-[4-dibenzofuran-4-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-5-phenyl-[1]benzothiolo[3,2-c]carbazole;11-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)-2,5-diphenyl-[1]benzothiolo[3,2-c]carbazole
CID 158699020
2-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]-1,5-diphenylbenzimidazole
CID 146513515
2-dibenzofuran-4-yl-4-phenyl-6-[8-(4-phenylphenyl)dibenzothiophen-4-yl]-1,3,5-triazine
CID 170362985
3-(9-dibenzofuran-4-ylcarbazol-3-yl)-9-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-4-yl]carbazole
CID 90211464
2-[9-[4-(3-dibenzothiophen-4-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]dibenzofuran-2-yl]-1-phenylbenzimidazole
CID 146917038
2-[9-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-1-phenylbenzimidazole;2-[9-(4-dibenzothiophen-3-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-1-phenylbenzimidazole;2-[9-(4-dibenzothiophen-4-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-1-phenylbenzimidazole
CID 158170833
2-(4-dibenzofuran-4-yl-2,5-dimethylphenyl)-1-phenylbenzimidazole
CID 58309657
2-[9-[4-(4-dibenzothiophen-4-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]dibenzofuran-2-yl]-1-phenylbenzimidazole;2-[9-(4-dibenzothiophen-1-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-1-phenylbenzimidazole;2-[9-(4-dibenzothiophen-2-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-1-phenylbenzimidazole
CID 160957839
2-[2-(4-dibenzofuran-1-yl-6-triphenylen-2-yl-1,3,5-triazin-2-yl)phenyl]-1-phenylbenzimidazole
CID 171812854
2-dibenzofuran-4-yl-4-(3,5-diphenylphenyl)-6-phenyl-1,3,5-triazine
CID 139441684

Frequently Asked Questions

What is the IUPAC name of 2-[6-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)-2-phenyldibenzothiophen-4-yl]-1-phenylbenzimidazole?
The IUPAC name of 2-[6-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)-2-phenyldibenzothiophen-4-yl]-1-phenylbenzimidazole (CID 146513460) is 2-[6-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)-2-phenyldibenzothiophen-4-yl]-1-phenylbenzimidazole.
What is the SMILES notation for 2-[6-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)-2-phenyldibenzothiophen-4-yl]-1-phenylbenzimidazole?
The canonical SMILES for 2-[6-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)-2-phenyldibenzothiophen-4-yl]-1-phenylbenzimidazole is c1ccc(-c2cc(-c3nc4ccccc4n3-c3ccccc3)c3sc4c(-c5nc(-c6ccccc6)nc(-c6cccc7c6oc6ccccc67)n5)cccc4c3c2)cc1.
What is the InChIKey of 2-[6-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)-2-phenyldibenzothiophen-4-yl]-1-phenylbenzimidazole?
The InChIKey is PKIQPHUPHDFHNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H31N5OS/c1-4-16-32(17-5-1)34-30-41-38-24-15-26-40(47(38)59-48(41)42(31-34)52-53-43-27-11-12-28-44(43)57(52)35-20-8-3-9-21-35)51-55-49(33-18-6-2-7-19-33)54-50(56-51)39-25-14-23-37-36-22-10-13-29-45(36)58-46(37)39/h1-31H.
What are the key properties of 2-[6-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)-2-phenyldibenzothiophen-4-yl]-1-phenylbenzimidazole?
2-[6-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)-2-phenyldibenzothiophen-4-yl]-1-phenylbenzimidazole has a molecular weight of 773.92 g/mol, XLogP of 13.81, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)-2-phenyldibenzothiophen-4-yl]-1-phenylbenzimidazole is sourced from PubChem (CID 146513460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).