1-methyl-6-(6-triphenylen-2-yl-2-pyridinyl)benzimidazole

C31H21N3 — CID 118490686

IUPAC1-methyl-6-(6-triphenylen-2-yl-2-pyridinyl)benzimidazole
SMILESCn1cnc2ccc(-c3cccc(-c4ccc5c6ccccc6c6ccccc6c5c4)n3)cc21
InChIInChI=1S/C31H21N3/c1-34-19-32-30-16-14-21(18-31(30)34)29-12-6-11-28(33-29)20-13-15-26-24-9-3-2-7-22(24)23-8-4-5-10-25(23)27(26)17-20/h2-19H,1H3
InChIKeyIMHUXMMLHNHXEN-UHFFFAOYSA-N
MW435.53 g/mol
LogP7.76
Rot. Bonds2

About 1-methyl-6-(6-triphenylen-2-yl-2-pyridinyl)benzimidazole

1-methyl-6-(6-triphenylen-2-yl-2-pyridinyl)benzimidazole (PubChem CID 118490686) has the molecular formula C31H21N3 and a molecular weight of 435.53 g/mol. Its IUPAC name is 1-methyl-6-(6-triphenylen-2-yl-2-pyridinyl)benzimidazole.

Molecular Properties

Compound Name1-methyl-6-(6-triphenylen-2-yl-2-pyridinyl)benzimidazole
PubChem CID118490686
Molecular FormulaC31H21N3
Molecular Weight435.53 g/mol
Exact Mass435.17
IUPAC Name1-methyl-6-(6-triphenylen-2-yl-2-pyridinyl)benzimidazole
SMILESCn1cnc2ccc(-c3cccc(-c4ccc5c6ccccc6c6ccccc6c5c4)n3)cc21
InChIInChI=1S/C31H21N3/c1-34-19-32-30-16-14-21(18-31(30)34)29-12-6-11-28(33-29)20-13-15-26-24-9-3-2-7-22(24)23-8-4-5-10-25(23)27(26)17-20/h2-19H,1H3
InChIKeyIMHUXMMLHNHXEN-UHFFFAOYSA-N
XLogP7.76
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500435.53
LogP ≤ 57.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-methyl-6-phenylbenzimidazole
CID 135028518
2-(6-chrysen-2-ylisoquinolin-8-yl)-8-[2-[6-(3-methylbenzimidazol-5-yl)-2-pyridinyl]benzo[c]phenanthren-7-yl]-1,10-phenanthroline
CID 137458955
1-methyl-3-(3-methylbenzimidazol-5-yl)pyrazol-5-amine
CID 117327059
5,11-dimethyl-3,9-bis(6-phenyl-2-pyridinyl)indolo[3,2-b]carbazole
CID 152999600
3-(9-phenylcarbazol-2-yl)-9-[3-(6-triphenylen-2-yl-2-pyridinyl)phenyl]carbazole
CID 118509091
2-(21-pyridin-2-yl-7-octacyclo[16.10.1.14,11.02,16.05,10.019,24.025,29.015,30]triaconta-1(28),2(16),3,5(10),6,8,11(30),12,14,17,19(24),20,22,25(29),26-pentadecaenyl)pyridine
CID 59171873
6-[3-[7-[3-(1,3-benzothiazol-6-yl)phenyl]triphenylen-2-yl]phenyl]-1,3-benzothiazole;6-[3-[7-[3-(1,3-benzoxazol-6-yl)phenyl]triphenylen-2-yl]phenyl]-1,3-benzoxazole;1-methyl-2-[3-[7-[3-(1-methylbenzimidazol-2-yl)phenyl]triphenylen-2-yl]phenyl]benzimidazole;1-methyl-6-[3-[7-[3-(3-methylbenzimidazol-5-yl)phenyl]triphenylen-2-yl]phenyl]benzimidazole
CID 159603782
2-[3-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-9-triphenylen-2-yl-1,10-phenanthroline
CID 134167397
2-(4-pyridin-2-ylphenyl)-9-(3-triphenylen-2-ylphenyl)-1,10-phenanthroline
CID 134167600
2-pyridin-2-yl-9-(3-triphenylen-2-ylphenyl)-1,10-phenanthroline
CID 134167567
2-pyridin-3-yl-6-[3-[3-[3-(6-pyridin-3-yl-2-pyridinyl)phenyl]-5-triphenylen-2-ylphenyl]phenyl]pyridine
CID 164785689
2-(9,10-diphenylanthracen-2-yl)-6-pyridin-2-ylpyridine
CID 59722108

Frequently Asked Questions

What is the IUPAC name of 1-methyl-6-(6-triphenylen-2-yl-2-pyridinyl)benzimidazole?
The IUPAC name of 1-methyl-6-(6-triphenylen-2-yl-2-pyridinyl)benzimidazole (CID 118490686) is 1-methyl-6-(6-triphenylen-2-yl-2-pyridinyl)benzimidazole.
What is the SMILES notation for 1-methyl-6-(6-triphenylen-2-yl-2-pyridinyl)benzimidazole?
The canonical SMILES for 1-methyl-6-(6-triphenylen-2-yl-2-pyridinyl)benzimidazole is Cn1cnc2ccc(-c3cccc(-c4ccc5c6ccccc6c6ccccc6c5c4)n3)cc21.
What is the InChIKey of 1-methyl-6-(6-triphenylen-2-yl-2-pyridinyl)benzimidazole?
The InChIKey is IMHUXMMLHNHXEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H21N3/c1-34-19-32-30-16-14-21(18-31(30)34)29-12-6-11-28(33-29)20-13-15-26-24-9-3-2-7-22(24)23-8-4-5-10-25(23)27(26)17-20/h2-19H,1H3.
What are the key properties of 1-methyl-6-(6-triphenylen-2-yl-2-pyridinyl)benzimidazole?
1-methyl-6-(6-triphenylen-2-yl-2-pyridinyl)benzimidazole has a molecular weight of 435.53 g/mol, XLogP of 7.76, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-6-(6-triphenylen-2-yl-2-pyridinyl)benzimidazole is sourced from PubChem (CID 118490686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).