2-(3-bromophenyl)pyridine;2-(1-methylbenzimidazol-2-yl)-9H-carbazole;2-(1-methylbenzimidazol-2-yl)-9-(3-pyridin-2-ylphenyl)carbazole

C62H45BrN8 — CID 157413309

IUPAC2-(3-bromophenyl)pyridine;2-(1-methylbenzimidazol-2-yl)-9H-carbazole;2-(1-methylbenzimidazol-2-yl)-9-(3-pyridin-2-ylphenyl)carbazole
SMILESBrc1cccc(-c2ccccn2)c1.Cn1c(-c2ccc3c(c2)[nH]c2ccccc23)nc2ccccc21.Cn1c(-c2ccc3c4ccccc4n(-c4cccc(-c5ccccn5)c4)c3c2)nc2ccccc21
InChIInChI=1S/C31H22N4.C20H15N3.C11H8BrN/c1-34-29-15-5-3-13-27(29)33-31(34)22-16-17-25-24-11-2-4-14-28(24)35(30(25)20-22)23-10-8-9-21(19-23)26-12-6-7-18-32-26;1-23-19-9-5-4-8-17(19)22-20(23)13-10-11-15-14-6-2-3-7-16(14)21-18(15)12-13;12-10-5-3-4-9(8-10)11-6-1-2-7-13-11/h2-20H,1H3;2-12,21H,1H3;1-8H
InChIKeyBONVQXNMNDYLND-UHFFFAOYSA-N
MW982.00 g/mol
LogP15.79
Rot. Bonds5

About 2-(3-bromophenyl)pyridine;2-(1-methylbenzimidazol-2-yl)-9H-carbazole;2-(1-methylbenzimidazol-2-yl)-9-(3-pyridin-2-ylphenyl)carbazole

2-(3-bromophenyl)pyridine;2-(1-methylbenzimidazol-2-yl)-9H-carbazole;2-(1-methylbenzimidazol-2-yl)-9-(3-pyridin-2-ylphenyl)carbazole (PubChem CID 157413309) has the molecular formula C62H45BrN8 and a molecular weight of 982.00 g/mol. Its IUPAC name is 2-(3-bromophenyl)pyridine;2-(1-methylbenzimidazol-2-yl)-9H-carbazole;2-(1-methylbenzimidazol-2-yl)-9-(3-pyridin-2-ylphenyl)carbazole.

Molecular Properties

Compound Name2-(3-bromophenyl)pyridine;2-(1-methylbenzimidazol-2-yl)-9H-carbazole;2-(1-methylbenzimidazol-2-yl)-9-(3-pyridin-2-ylphenyl)carbazole
PubChem CID157413309
Molecular FormulaC62H45BrN8
Molecular Weight982.00 g/mol
Exact Mass980.30
IUPAC Name2-(3-bromophenyl)pyridine;2-(1-methylbenzimidazol-2-yl)-9H-carbazole;2-(1-methylbenzimidazol-2-yl)-9-(3-pyridin-2-ylphenyl)carbazole
SMILESBrc1cccc(-c2ccccn2)c1.Cn1c(-c2ccc3c(c2)[nH]c2ccccc23)nc2ccccc21.Cn1c(-c2ccc3c4ccccc4n(-c4cccc(-c5ccccn5)c4)c3c2)nc2ccccc21
InChIInChI=1S/C31H22N4.C20H15N3.C11H8BrN/c1-34-29-15-5-3-13-27(29)33-31(34)22-16-17-25-24-11-2-4-14-28(24)35(30(25)20-22)23-10-8-9-21(19-23)26-12-6-7-18-32-26;1-23-19-9-5-4-8-17(19)22-20(23)13-10-11-15-14-6-2-3-7-16(14)21-18(15)12-13;12-10-5-3-4-9(8-10)11-6-1-2-7-13-11/h2-20H,1H3;2-12,21H,1H3;1-8H
InChIKeyBONVQXNMNDYLND-UHFFFAOYSA-N
XLogP15.79
TPSA82.14 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms71
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500982.00
LogP ≤ 515.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-(3-bromophenyl)pyridine;2-(1-methylbenzimidazol-2-yl)-9H-carbazole;2-(1-methylbenzimidazol-2-yl)-9-(3-pyridin-2-ylphenyl)carbazole?
The IUPAC name of 2-(3-bromophenyl)pyridine;2-(1-methylbenzimidazol-2-yl)-9H-carbazole;2-(1-methylbenzimidazol-2-yl)-9-(3-pyridin-2-ylphenyl)carbazole (CID 157413309) is 2-(3-bromophenyl)pyridine;2-(1-methylbenzimidazol-2-yl)-9H-carbazole;2-(1-methylbenzimidazol-2-yl)-9-(3-pyridin-2-ylphenyl)carbazole.
What is the SMILES notation for 2-(3-bromophenyl)pyridine;2-(1-methylbenzimidazol-2-yl)-9H-carbazole;2-(1-methylbenzimidazol-2-yl)-9-(3-pyridin-2-ylphenyl)carbazole?
The canonical SMILES for 2-(3-bromophenyl)pyridine;2-(1-methylbenzimidazol-2-yl)-9H-carbazole;2-(1-methylbenzimidazol-2-yl)-9-(3-pyridin-2-ylphenyl)carbazole is Brc1cccc(-c2ccccn2)c1.Cn1c(-c2ccc3c(c2)[nH]c2ccccc23)nc2ccccc21.Cn1c(-c2ccc3c4ccccc4n(-c4cccc(-c5ccccn5)c4)c3c2)nc2ccccc21.
What is the InChIKey of 2-(3-bromophenyl)pyridine;2-(1-methylbenzimidazol-2-yl)-9H-carbazole;2-(1-methylbenzimidazol-2-yl)-9-(3-pyridin-2-ylphenyl)carbazole?
The InChIKey is BONVQXNMNDYLND-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H22N4.C20H15N3.C11H8BrN/c1-34-29-15-5-3-13-27(29)33-31(34)22-16-17-25-24-11-2-4-14-28(24)35(30(25)20-22)23-10-8-9-21(19-23)26-12-6-7-18-32-26;1-23-19-9-5-4-8-17(19)22-20(23)13-10-11-15-14-6-2-3-7-16(14)21-18(15)12-13;12-10-5-3-4-9(8-10)11-6-1-2-7-13-11/h2-20H,1H3;2-12,21H,1H3;1-8H.
What are the key properties of 2-(3-bromophenyl)pyridine;2-(1-methylbenzimidazol-2-yl)-9H-carbazole;2-(1-methylbenzimidazol-2-yl)-9-(3-pyridin-2-ylphenyl)carbazole?
2-(3-bromophenyl)pyridine;2-(1-methylbenzimidazol-2-yl)-9H-carbazole;2-(1-methylbenzimidazol-2-yl)-9-(3-pyridin-2-ylphenyl)carbazole has a molecular weight of 982.00 g/mol, XLogP of 15.79, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromophenyl)pyridine;2-(1-methylbenzimidazol-2-yl)-9H-carbazole;2-(1-methylbenzimidazol-2-yl)-9-(3-pyridin-2-ylphenyl)carbazole is sourced from PubChem (CID 157413309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).