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

C58H35N5O — CID 171812807

IUPAC2-[3-[4-dibenzofuran-3-yl-6-(3-triphenylen-2-ylphenyl)-1,3,5-triazin-2-yl]phenyl]-1-phenylbenzimidazole
SMILESc1ccc(-n2c(-c3cccc(-c4nc(-c5cccc(-c6ccc7c8ccccc8c8ccccc8c7c6)c5)nc(-c5ccc6c(c5)oc5ccccc56)n4)c3)nc3ccccc32)cc1
InChIInChI=1S/C58H35N5O/c1-2-18-42(19-3-1)63-52-26-10-9-25-51(52)59-58(63)41-17-13-16-39(33-41)56-60-55(61-57(62-56)40-29-31-49-48-24-8-11-27-53(48)64-54(49)35-40)38-15-12-14-36(32-38)37-28-30-47-45-22-5-4-20-43(45)44-21-6-7-23-46(44)50(47)34-37/h1-35H
InChIKeySYWLXGZBKSRTDB-UHFFFAOYSA-N
MW817.95 g/mol
LogP14.90
Rot. Bonds6

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

2-[3-[4-dibenzofuran-3-yl-6-(3-triphenylen-2-ylphenyl)-1,3,5-triazin-2-yl]phenyl]-1-phenylbenzimidazole (PubChem CID 171812807) has the molecular formula C58H35N5O and a molecular weight of 817.95 g/mol. Its IUPAC name is 2-[3-[4-dibenzofuran-3-yl-6-(3-triphenylen-2-ylphenyl)-1,3,5-triazin-2-yl]phenyl]-1-phenylbenzimidazole.

Molecular Properties

Compound Name2-[3-[4-dibenzofuran-3-yl-6-(3-triphenylen-2-ylphenyl)-1,3,5-triazin-2-yl]phenyl]-1-phenylbenzimidazole
PubChem CID171812807
Molecular FormulaC58H35N5O
Molecular Weight817.95 g/mol
Exact Mass817.28
IUPAC Name2-[3-[4-dibenzofuran-3-yl-6-(3-triphenylen-2-ylphenyl)-1,3,5-triazin-2-yl]phenyl]-1-phenylbenzimidazole
SMILESc1ccc(-n2c(-c3cccc(-c4nc(-c5cccc(-c6ccc7c8ccccc8c8ccccc8c7c6)c5)nc(-c5ccc6c(c5)oc5ccccc56)n4)c3)nc3ccccc32)cc1
InChIInChI=1S/C58H35N5O/c1-2-18-42(19-3-1)63-52-26-10-9-25-51(52)59-58(63)41-17-13-16-39(33-41)56-60-55(61-57(62-56)40-29-31-49-48-24-8-11-27-53(48)64-54(49)35-40)38-15-12-14-36(32-38)37-28-30-47-45-22-5-4-20-43(45)44-21-6-7-23-46(44)50(47)34-37/h1-35H
InChIKeySYWLXGZBKSRTDB-UHFFFAOYSA-N
XLogP14.90
TPSA69.63 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500817.95
LogP ≤ 514.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

1-phenyl-2-[4-triphenylen-2-yl-6-(3-triphenylen-2-ylphenyl)-1,3,5-triazin-2-yl]benzimidazole
CID 171812772
2-(7-phenyldibenzofuran-2-yl)-1-(3-phenylphenyl)benzimidazole
CID 157379685
N-dibenzofuran-3-yl-N-[4-[3-(1-phenylbenzimidazol-2-yl)phenyl]phenyl]dibenzofuran-3-amine;4-phenyl-N,N-bis[4-[3-(1-phenylbenzimidazol-2-yl)phenyl]phenyl]aniline;4-phenyl-N-[4-[3-(1-phenylbenzimidazol-2-yl)phenyl]phenyl]-N-(4-phenylphenyl)aniline
CID 161463384
2-[2-(4-dibenzofuran-1-yl-6-triphenylen-2-yl-1,3,5-triazin-2-yl)phenyl]-1-phenylbenzimidazole
CID 171812854
2-[9-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzothiophen-3-yl]-1-phenylbenzimidazole
CID 147371155
1-phenyl-2-[4-[4-(2-phenylbenzimidazol-1-yl)-6-triphenylen-2-yl-1,3,5-triazin-2-yl]phenyl]benzimidazole
CID 171812770
3-[8-[4-dibenzofuran-3-yl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-3-yl]-9-phenylcarbazole
CID 139342236
3-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-9-phenyl-6-(1-phenylbenzimidazol-2-yl)carbazole
CID 129292117
3-[7-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]dibenzofuran-3-yl]-9-phenylcarbazole
CID 146702712
1-dibenzofuran-2-yl-2-[3-(1-dibenzofuran-2-ylbenzimidazol-2-yl)phenyl]benzimidazole
CID 58037471
2-dibenzofuran-2-yl-4-[3-[10-[3-[7-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]phenyl]triphenylen-2-yl]phenyl]-6-[7-[3-(3-triphenylen-2-ylphenyl)phenyl]dibenzofuran-3-yl]-1,3,5-triazine
CID 163895901
9-phenyl-3-[3-[7-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-3-yl]phenyl]carbazole
CID 166009381

Frequently Asked Questions

What is the IUPAC name of 2-[3-[4-dibenzofuran-3-yl-6-(3-triphenylen-2-ylphenyl)-1,3,5-triazin-2-yl]phenyl]-1-phenylbenzimidazole?
The IUPAC name of 2-[3-[4-dibenzofuran-3-yl-6-(3-triphenylen-2-ylphenyl)-1,3,5-triazin-2-yl]phenyl]-1-phenylbenzimidazole (CID 171812807) is 2-[3-[4-dibenzofuran-3-yl-6-(3-triphenylen-2-ylphenyl)-1,3,5-triazin-2-yl]phenyl]-1-phenylbenzimidazole.
What is the SMILES notation for 2-[3-[4-dibenzofuran-3-yl-6-(3-triphenylen-2-ylphenyl)-1,3,5-triazin-2-yl]phenyl]-1-phenylbenzimidazole?
The canonical SMILES for 2-[3-[4-dibenzofuran-3-yl-6-(3-triphenylen-2-ylphenyl)-1,3,5-triazin-2-yl]phenyl]-1-phenylbenzimidazole is c1ccc(-n2c(-c3cccc(-c4nc(-c5cccc(-c6ccc7c8ccccc8c8ccccc8c7c6)c5)nc(-c5ccc6c(c5)oc5ccccc56)n4)c3)nc3ccccc32)cc1.
What is the InChIKey of 2-[3-[4-dibenzofuran-3-yl-6-(3-triphenylen-2-ylphenyl)-1,3,5-triazin-2-yl]phenyl]-1-phenylbenzimidazole?
The InChIKey is SYWLXGZBKSRTDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H35N5O/c1-2-18-42(19-3-1)63-52-26-10-9-25-51(52)59-58(63)41-17-13-16-39(33-41)56-60-55(61-57(62-56)40-29-31-49-48-24-8-11-27-53(48)64-54(49)35-40)38-15-12-14-36(32-38)37-28-30-47-45-22-5-4-20-43(45)44-21-6-7-23-46(44)50(47)34-37/h1-35H.
What are the key properties of 2-[3-[4-dibenzofuran-3-yl-6-(3-triphenylen-2-ylphenyl)-1,3,5-triazin-2-yl]phenyl]-1-phenylbenzimidazole?
2-[3-[4-dibenzofuran-3-yl-6-(3-triphenylen-2-ylphenyl)-1,3,5-triazin-2-yl]phenyl]-1-phenylbenzimidazole has a molecular weight of 817.95 g/mol, XLogP of 14.90, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[4-dibenzofuran-3-yl-6-(3-triphenylen-2-ylphenyl)-1,3,5-triazin-2-yl]phenyl]-1-phenylbenzimidazole is sourced from PubChem (CID 171812807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).