1-methyl-2-(4-triphenylen-2-ylphenyl)benzimidazole;1-methyl-6-(4-triphenylen-2-ylphenyl)benzimidazole;1-methyl-6-(6-triphenylen-2-yl-2-pyridinyl)benzimidazole;6-(4-triphenylen-2-ylphenyl)-1,3-benzothiazole;2-(4-triphenylen-2-ylphenyl)-1,3-benzoxazole;6-(4-triphenylen-2-ylphenyl)-1,3-benzoxazole;6-(6-triphenylen-2-yl-2-pyridinyl)-1,3-benzoxazole

C218H140N12O3S — CID 157161000

IUPAC1-methyl-2-(4-triphenylen-2-ylphenyl)benzimidazole;1-methyl-6-(4-triphenylen-2-ylphenyl)benzimidazole;1-methyl-6-(6-triphenylen-2-yl-2-pyridinyl)benzimidazole;6-(4-triphenylen-2-ylphenyl)-1,3-benzothiazole;2-(4-triphenylen-2-ylphenyl)-1,3-benzoxazole;6-(4-triphenylen-2-ylphenyl)-1,3-benzoxazole;6-(6-triphenylen-2-yl-2-pyridinyl)-1,3-benzoxazole
SMILESCn1c(-c2ccc(-c3ccc4c5ccccc5c5ccccc5c4c3)cc2)nc2ccccc21.Cn1cnc2ccc(-c3ccc(-c4ccc5c6ccccc6c6ccccc6c5c4)cc3)cc21.Cn1cnc2ccc(-c3cccc(-c4ccc5c6ccccc6c6ccccc6c5c4)n3)cc21.c1cc(-c2ccc3ncoc3c2)nc(-c2ccc3c4ccccc4c4ccccc4c3c2)c1.c1ccc2c(c1)c1ccccc1c1cc(-c3ccc(-c4ccc5ncoc5c4)cc3)ccc21.c1ccc2c(c1)c1ccccc1c1cc(-c3ccc(-c4ccc5ncsc5c4)cc3)ccc21.c1ccc2oc(-c3ccc(-c4ccc5c6ccccc6c6ccccc6c5c4)cc3)nc2c1
InChIInChI=1S/2C32H22N2.C31H21N3.2C31H19NO.C31H19NS.C30H18N2O/c1-34-31-13-7-6-12-30(31)33-32(34)22-16-14-21(15-17-22)23-18-19-28-26-10-3-2-8-24(26)25-9-4-5-11-27(25)29(28)20-23;1-34-20-33-31-17-15-24(19-32(31)34)22-12-10-21(11-13-22)23-14-16-29-27-8-3-2-6-25(27)26-7-4-5-9-28(26)30(29)18-23;1-34-19-32-30-16-14-21(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;1-2-9-25-23(7-1)24-8-3-4-10-26(24)28-19-22(17-18-27(25)28)20-13-15-21(16-14-20)31-32-29-11-5-6-12-30(29)33-31;2*1-2-7-26-24(5-1)25-6-3-4-8-27(25)29-17-22(13-15-28(26)29)20-9-11-21(12-10-20)23-14-16-30-31(18-23)33-19-32-30;1-2-8-23-21(6-1)22-7-3-4-9-24(22)26-16-19(12-14-25(23)26)27-10-5-11-28(32-27)20-13-15-29-30(17-20)33-18-31-29/h2*2-20H,1H3;2-19H,1H3;3*1-19H;1-18H
InChIKeyAMJJQSLAHVDOPD-UHFFFAOYSA-N
MW3007.67 g/mol
LogP58.84
Rot. Bonds14

About 1-methyl-2-(4-triphenylen-2-ylphenyl)benzimidazole;1-methyl-6-(4-triphenylen-2-ylphenyl)benzimidazole;1-methyl-6-(6-triphenylen-2-yl-2-pyridinyl)benzimidazole;6-(4-triphenylen-2-ylphenyl)-1,3-benzothiazole;2-(4-triphenylen-2-ylphenyl)-1,3-benzoxazole;6-(4-triphenylen-2-ylphenyl)-1,3-benzoxazole;6-(6-triphenylen-2-yl-2-pyridinyl)-1,3-benzoxazole

1-methyl-2-(4-triphenylen-2-ylphenyl)benzimidazole;1-methyl-6-(4-triphenylen-2-ylphenyl)benzimidazole;1-methyl-6-(6-triphenylen-2-yl-2-pyridinyl)benzimidazole;6-(4-triphenylen-2-ylphenyl)-1,3-benzothiazole;2-(4-triphenylen-2-ylphenyl)-1,3-benzoxazole;6-(4-triphenylen-2-ylphenyl)-1,3-benzoxazole;6-(6-triphenylen-2-yl-2-pyridinyl)-1,3-benzoxazole (PubChem CID 157161000) has the molecular formula C218H140N12O3S and a molecular weight of 3007.67 g/mol. Its IUPAC name is 1-methyl-2-(4-triphenylen-2-ylphenyl)benzimidazole;1-methyl-6-(4-triphenylen-2-ylphenyl)benzimidazole;1-methyl-6-(6-triphenylen-2-yl-2-pyridinyl)benzimidazole;6-(4-triphenylen-2-ylphenyl)-1,3-benzothiazole;2-(4-triphenylen-2-ylphenyl)-1,3-benzoxazole;6-(4-triphenylen-2-ylphenyl)-1,3-benzoxazole;6-(6-triphenylen-2-yl-2-pyridinyl)-1,3-benzoxazole.

Molecular Properties

Compound Name1-methyl-2-(4-triphenylen-2-ylphenyl)benzimidazole;1-methyl-6-(4-triphenylen-2-ylphenyl)benzimidazole;1-methyl-6-(6-triphenylen-2-yl-2-pyridinyl)benzimidazole;6-(4-triphenylen-2-ylphenyl)-1,3-benzothiazole;2-(4-triphenylen-2-ylphenyl)-1,3-benzoxazole;6-(4-triphenylen-2-ylphenyl)-1,3-benzoxazole;6-(6-triphenylen-2-yl-2-pyridinyl)-1,3-benzoxazole
PubChem CID157161000
Molecular FormulaC218H140N12O3S
Molecular Weight3007.67 g/mol
Exact Mass3005.09
IUPAC Name1-methyl-2-(4-triphenylen-2-ylphenyl)benzimidazole;1-methyl-6-(4-triphenylen-2-ylphenyl)benzimidazole;1-methyl-6-(6-triphenylen-2-yl-2-pyridinyl)benzimidazole;6-(4-triphenylen-2-ylphenyl)-1,3-benzothiazole;2-(4-triphenylen-2-ylphenyl)-1,3-benzoxazole;6-(4-triphenylen-2-ylphenyl)-1,3-benzoxazole;6-(6-triphenylen-2-yl-2-pyridinyl)-1,3-benzoxazole
SMILESCn1c(-c2ccc(-c3ccc4c5ccccc5c5ccccc5c4c3)cc2)nc2ccccc21.Cn1cnc2ccc(-c3ccc(-c4ccc5c6ccccc6c6ccccc6c5c4)cc3)cc21.Cn1cnc2ccc(-c3cccc(-c4ccc5c6ccccc6c6ccccc6c5c4)n3)cc21.c1cc(-c2ccc3ncoc3c2)nc(-c2ccc3c4ccccc4c4ccccc4c3c2)c1.c1ccc2c(c1)c1ccccc1c1cc(-c3ccc(-c4ccc5ncoc5c4)cc3)ccc21.c1ccc2c(c1)c1ccccc1c1cc(-c3ccc(-c4ccc5ncsc5c4)cc3)ccc21.c1ccc2oc(-c3ccc(-c4ccc5c6ccccc6c6ccccc6c5c4)cc3)nc2c1
InChIInChI=1S/2C32H22N2.C31H21N3.2C31H19NO.C31H19NS.C30H18N2O/c1-34-31-13-7-6-12-30(31)33-32(34)22-16-14-21(15-17-22)23-18-19-28-26-10-3-2-8-24(26)25-9-4-5-11-27(25)29(28)20-23;1-34-20-33-31-17-15-24(19-32(31)34)22-12-10-21(11-13-22)23-14-16-29-27-8-3-2-6-25(27)26-7-4-5-9-28(26)30(29)18-23;1-34-19-32-30-16-14-21(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;1-2-9-25-23(7-1)24-8-3-4-10-26(24)28-19-22(17-18-27(25)28)20-13-15-21(16-14-20)31-32-29-11-5-6-12-30(29)33-31;2*1-2-7-26-24(5-1)25-6-3-4-8-27(25)29-17-22(13-15-28(26)29)20-9-11-21(12-10-20)23-14-16-30-31(18-23)33-19-32-30;1-2-8-23-21(6-1)22-7-3-4-9-24(22)26-16-19(12-14-25(23)26)27-10-5-11-28(32-27)20-13-15-29-30(17-20)33-18-31-29/h2*2-20H,1H3;2-19H,1H3;3*1-19H;1-18H
InChIKeyAMJJQSLAHVDOPD-UHFFFAOYSA-N
XLogP58.84
TPSA170.22 Ų
H-Bond Donors
H-Bond Acceptors16
Rotatable Bonds14
Heavy Atoms234
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003007.67
LogP ≤ 558.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1016

Computed Properties (RDKit)

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

Analyze 1-methyl-2-(4-triphenylen-2-ylphenyl)benzimidazole;1-methyl-6-(4-triphenylen-2-ylphenyl)benzimidazole;1-methyl-6-(6-triphenylen-2-yl-2-pyridinyl)benzimidazole;6-(4-triphenylen-2-ylphenyl)-1,3-benzothiazole;2-(4-triphenylen-2-ylphenyl)-1,3-benzoxazole;6-(4-triphenylen-2-ylphenyl)-1,3-benzoxazole;6-(6-triphenylen-2-yl-2-pyridinyl)-1,3-benzoxazole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-(4-triphenylen-2-ylphenyl)benzimidazole;1-methyl-6-(4-triphenylen-2-ylphenyl)benzimidazole;1-methyl-6-(6-triphenylen-2-yl-2-pyridinyl)benzimidazole;6-(4-triphenylen-2-ylphenyl)-1,3-benzothiazole;2-(4-triphenylen-2-ylphenyl)-1,3-benzoxazole;6-(4-triphenylen-2-ylphenyl)-1,3-benzoxazole;6-(6-triphenylen-2-yl-2-pyridinyl)-1,3-benzoxazole?
The IUPAC name of 1-methyl-2-(4-triphenylen-2-ylphenyl)benzimidazole;1-methyl-6-(4-triphenylen-2-ylphenyl)benzimidazole;1-methyl-6-(6-triphenylen-2-yl-2-pyridinyl)benzimidazole;6-(4-triphenylen-2-ylphenyl)-1,3-benzothiazole;2-(4-triphenylen-2-ylphenyl)-1,3-benzoxazole;6-(4-triphenylen-2-ylphenyl)-1,3-benzoxazole;6-(6-triphenylen-2-yl-2-pyridinyl)-1,3-benzoxazole (CID 157161000) is 1-methyl-2-(4-triphenylen-2-ylphenyl)benzimidazole;1-methyl-6-(4-triphenylen-2-ylphenyl)benzimidazole;1-methyl-6-(6-triphenylen-2-yl-2-pyridinyl)benzimidazole;6-(4-triphenylen-2-ylphenyl)-1,3-benzothiazole;2-(4-triphenylen-2-ylphenyl)-1,3-benzoxazole;6-(4-triphenylen-2-ylphenyl)-1,3-benzoxazole;6-(6-triphenylen-2-yl-2-pyridinyl)-1,3-benzoxazole.
What is the SMILES notation for 1-methyl-2-(4-triphenylen-2-ylphenyl)benzimidazole;1-methyl-6-(4-triphenylen-2-ylphenyl)benzimidazole;1-methyl-6-(6-triphenylen-2-yl-2-pyridinyl)benzimidazole;6-(4-triphenylen-2-ylphenyl)-1,3-benzothiazole;2-(4-triphenylen-2-ylphenyl)-1,3-benzoxazole;6-(4-triphenylen-2-ylphenyl)-1,3-benzoxazole;6-(6-triphenylen-2-yl-2-pyridinyl)-1,3-benzoxazole?
The canonical SMILES for 1-methyl-2-(4-triphenylen-2-ylphenyl)benzimidazole;1-methyl-6-(4-triphenylen-2-ylphenyl)benzimidazole;1-methyl-6-(6-triphenylen-2-yl-2-pyridinyl)benzimidazole;6-(4-triphenylen-2-ylphenyl)-1,3-benzothiazole;2-(4-triphenylen-2-ylphenyl)-1,3-benzoxazole;6-(4-triphenylen-2-ylphenyl)-1,3-benzoxazole;6-(6-triphenylen-2-yl-2-pyridinyl)-1,3-benzoxazole is Cn1c(-c2ccc(-c3ccc4c5ccccc5c5ccccc5c4c3)cc2)nc2ccccc21.Cn1cnc2ccc(-c3ccc(-c4ccc5c6ccccc6c6ccccc6c5c4)cc3)cc21.Cn1cnc2ccc(-c3cccc(-c4ccc5c6ccccc6c6ccccc6c5c4)n3)cc21.c1cc(-c2ccc3ncoc3c2)nc(-c2ccc3c4ccccc4c4ccccc4c3c2)c1.c1ccc2c(c1)c1ccccc1c1cc(-c3ccc(-c4ccc5ncoc5c4)cc3)ccc21.c1ccc2c(c1)c1ccccc1c1cc(-c3ccc(-c4ccc5ncsc5c4)cc3)ccc21.c1ccc2oc(-c3ccc(-c4ccc5c6ccccc6c6ccccc6c5c4)cc3)nc2c1.
What is the InChIKey of 1-methyl-2-(4-triphenylen-2-ylphenyl)benzimidazole;1-methyl-6-(4-triphenylen-2-ylphenyl)benzimidazole;1-methyl-6-(6-triphenylen-2-yl-2-pyridinyl)benzimidazole;6-(4-triphenylen-2-ylphenyl)-1,3-benzothiazole;2-(4-triphenylen-2-ylphenyl)-1,3-benzoxazole;6-(4-triphenylen-2-ylphenyl)-1,3-benzoxazole;6-(6-triphenylen-2-yl-2-pyridinyl)-1,3-benzoxazole?
The InChIKey is AMJJQSLAHVDOPD-UHFFFAOYSA-N. The full InChI is InChI=1S/2C32H22N2.C31H21N3.2C31H19NO.C31H19NS.C30H18N2O/c1-34-31-13-7-6-12-30(31)33-32(34)22-16-14-21(15-17-22)23-18-19-28-26-10-3-2-8-24(26)25-9-4-5-11-27(25)29(28)20-23;1-34-20-33-31-17-15-24(19-32(31)34)22-12-10-21(11-13-22)23-14-16-29-27-8-3-2-6-25(27)26-7-4-5-9-28(26)30(29)18-23;1-34-19-32-30-16-14-21(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;1-2-9-25-23(7-1)24-8-3-4-10-26(24)28-19-22(17-18-27(25)28)20-13-15-21(16-14-20)31-32-29-11-5-6-12-30(29)33-31;2*1-2-7-26-24(5-1)25-6-3-4-8-27(25)29-17-22(13-15-28(26)29)20-9-11-21(12-10-20)23-14-16-30-31(18-23)33-19-32-30;1-2-8-23-21(6-1)22-7-3-4-9-24(22)26-16-19(12-14-25(23)26)27-10-5-11-28(32-27)20-13-15-29-30(17-20)33-18-31-29/h2*2-20H,1H3;2-19H,1H3;3*1-19H;1-18H.
What are the key properties of 1-methyl-2-(4-triphenylen-2-ylphenyl)benzimidazole;1-methyl-6-(4-triphenylen-2-ylphenyl)benzimidazole;1-methyl-6-(6-triphenylen-2-yl-2-pyridinyl)benzimidazole;6-(4-triphenylen-2-ylphenyl)-1,3-benzothiazole;2-(4-triphenylen-2-ylphenyl)-1,3-benzoxazole;6-(4-triphenylen-2-ylphenyl)-1,3-benzoxazole;6-(6-triphenylen-2-yl-2-pyridinyl)-1,3-benzoxazole?
1-methyl-2-(4-triphenylen-2-ylphenyl)benzimidazole;1-methyl-6-(4-triphenylen-2-ylphenyl)benzimidazole;1-methyl-6-(6-triphenylen-2-yl-2-pyridinyl)benzimidazole;6-(4-triphenylen-2-ylphenyl)-1,3-benzothiazole;2-(4-triphenylen-2-ylphenyl)-1,3-benzoxazole;6-(4-triphenylen-2-ylphenyl)-1,3-benzoxazole;6-(6-triphenylen-2-yl-2-pyridinyl)-1,3-benzoxazole has a molecular weight of 3007.67 g/mol, XLogP of 58.84, 14 rotatable bonds, 0 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-(4-triphenylen-2-ylphenyl)benzimidazole;1-methyl-6-(4-triphenylen-2-ylphenyl)benzimidazole;1-methyl-6-(6-triphenylen-2-yl-2-pyridinyl)benzimidazole;6-(4-triphenylen-2-ylphenyl)-1,3-benzothiazole;2-(4-triphenylen-2-ylphenyl)-1,3-benzoxazole;6-(4-triphenylen-2-ylphenyl)-1,3-benzoxazole;6-(6-triphenylen-2-yl-2-pyridinyl)-1,3-benzoxazole is sourced from PubChem (CID 157161000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).